Starting phenix.real_space_refine on Fri Sep 27 01:27:21 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7q5a_13830/09_2024/7q5a_13830.cif Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7q5a_13830/09_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_13830/09_2024/7q5a_13830.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7q5a_13830/09_2024/7q5a_13830.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7q5a_13830/09_2024/7q5a_13830.cif" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7q5a_13830/09_2024/7q5a_13830.cif" } 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. Time to flip 100 residue(s): 0.09s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5461/modules/chem_data/mon_lib" Total number of atoms: 61600 Number of models: 1 Model: "" Number of chains: 2400 Chain: "A" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "A" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "B" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "B" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "C" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "C" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "D" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "D" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "E" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "E" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "F" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "F" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "G" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "G" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "H" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "H" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "I" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "I" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "J" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "J" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "K" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "K" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "L" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "L" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "M" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "M" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "N" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "N" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "O" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "O" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "P" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "P" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "Q" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "Q" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "R" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "R" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "S" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "S" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "T" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "T" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "U" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "U" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "V" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "V" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "W" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "W" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "X" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "X" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "Y" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "Y" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "Z" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "Z" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "0" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "0" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "1" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "1" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "2" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "2" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "3" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "3" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "4" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "4" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "5" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "5" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "6" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "6" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "7" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "7" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "8" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "8" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "9" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "9" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "a" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "a" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "b" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "b" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "c" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "c" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "d" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "d" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "e" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "e" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "f" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "f" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "g" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "g" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "h" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "h" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "i" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "i" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "j" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "j" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "k" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "k" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "l" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "l" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "m" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "m" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "n" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "n" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "o" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "o" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "p" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "p" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "q" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "q" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "r" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "r" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "s" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "s" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "t" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "t" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "u" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "u" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "v" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "v" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "w" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "w" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "x" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "x" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "y" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "y" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "z" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "z" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "AA" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "AA" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "AB" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "AB" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "AC" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "AC" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "AD" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "AD" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "AE" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "AE" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "AF" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "AF" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "AG" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "AG" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "AH" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "AH" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "AI" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "AI" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "AJ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "AJ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "AK" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "AK" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "AL" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "AL" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "AM" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "AM" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "AN" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "AN" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "AO" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "AO" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "AP" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "AP" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "AQ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "AQ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "AR" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "AR" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "AS" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "AS" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "AT" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "AT" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "AU" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "AU" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "AV" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "AV" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "AW" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "AW" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "AX" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "AX" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "AY" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "AY" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "AZ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "AZ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "A0" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "A0" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "A1" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "A1" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "A2" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "A2" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "A3" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "A3" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "A4" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "A4" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "A5" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "A5" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "A6" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "A6" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "A7" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "A7" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "A8" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "A8" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "A9" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "A9" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "BA" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "BA" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "BB" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "BB" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "BC" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "BC" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "BD" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "BD" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "BE" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "BE" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "BF" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "BF" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "BG" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "BG" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "BH" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "BH" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "BI" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "BI" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "BJ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "BJ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "BK" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "BK" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "BL" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "BL" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "BM" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "BM" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "BN" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "BN" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "BO" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "BO" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "BP" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "BP" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "BQ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "BQ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "BR" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "BR" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "BS" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "BS" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "BT" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "BT" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "BU" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "BU" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "BV" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "BV" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "BW" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "BW" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "BX" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "BX" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "BY" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "BY" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "BZ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "BZ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "B0" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "B0" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "B1" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "B1" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "B2" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "B2" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "B3" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "B3" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "B4" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "B4" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "B5" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "B5" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "B6" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "B6" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "B7" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "B7" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "B8" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "B8" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "B9" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "B9" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "CA" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "CA" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "CB" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "CB" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "CC" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "CC" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "CD" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "CD" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "CE" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "CE" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "CF" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "CF" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "CG" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "CG" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "CH" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "CH" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "CI" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "CI" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "CJ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "CJ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "CK" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "CK" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "CL" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "CL" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "CM" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "CM" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "CN" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "CN" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "CO" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "CO" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "CP" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "CP" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "CQ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "CQ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "CR" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "CR" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "CS" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "CS" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "CT" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "CT" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "CU" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "CU" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "CV" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "CV" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "CW" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "CW" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "CX" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "CX" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "CY" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "CY" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "CZ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "CZ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "C0" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "C0" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "C1" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "C1" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "C2" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "C2" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "C3" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "C3" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "C4" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "C4" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "C5" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "C5" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "C6" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "C6" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "C7" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "C7" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "C8" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "C8" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "C9" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "C9" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "DA" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "DA" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "DB" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "DB" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "DC" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "DC" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "DD" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "DD" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "DE" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "DE" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "DF" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "DF" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "DG" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "DG" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "DH" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "DH" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "DI" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "DI" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "DJ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "DJ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "DK" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "DK" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "DL" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "DL" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "DM" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "DM" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "DN" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "DN" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "DO" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "DO" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "DP" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "DP" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "DQ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "DQ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "DR" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "DR" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "DS" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "DS" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "DT" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "DT" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "DU" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "DU" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "DV" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "DV" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "DW" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "DW" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "DX" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "DX" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "DY" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "DY" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "DZ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "DZ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "D0" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "D0" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "D1" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "D1" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "D2" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "D2" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "D3" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "D3" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "D4" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "D4" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "D5" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "D5" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "D6" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "D6" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "D7" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "D7" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "D8" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "D8" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "D9" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "D9" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "EA" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "EA" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "EB" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "EB" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "EC" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "EC" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "ED" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "ED" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "EE" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "EE" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "EF" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "EF" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "EG" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "EG" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "EH" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "EH" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "EI" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "EI" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "EJ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "EJ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "EK" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "EK" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "EL" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "EL" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "EM" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "EM" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "EN" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "EN" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "EO" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "EO" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "EP" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "EP" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "EQ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "EQ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "ER" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "ER" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "ES" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "ES" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "ET" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "ET" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "EU" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "EU" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "EV" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "EV" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "EW" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "EW" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "EX" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "EX" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "EY" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "EY" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "EZ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "EZ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "E0" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "E0" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "E1" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "E1" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "E2" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "E2" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "E3" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "E3" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "E4" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "E4" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "E5" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "E5" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "E6" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "E6" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "E7" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "E7" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "E8" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "E8" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "E9" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "E9" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "FA" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "FA" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "FB" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "FB" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "FC" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "FC" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "FD" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "FD" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "FE" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "FE" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "FF" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "FF" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "FG" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "FG" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "FH" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "FH" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "FI" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "FI" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "FJ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "FJ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "FK" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "FK" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "FL" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "FL" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "FM" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "FM" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "FN" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "FN" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "FO" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "FO" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "FP" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "FP" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "FQ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "FQ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "FR" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "FR" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "FS" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "FS" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "FT" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "FT" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "FU" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "FU" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "FV" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "FV" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "FW" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "FW" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "FX" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "FX" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "FY" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "FY" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "FZ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "FZ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "F0" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "F0" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "F1" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "F1" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "F2" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "F2" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "F3" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "F3" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "F4" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "F4" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "F5" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "F5" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "F6" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "F6" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "F7" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "F7" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "F8" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "F8" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "F9" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "F9" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "GA" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "GA" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "GB" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "GB" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "GC" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "GC" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "GD" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "GD" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "GE" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "GE" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "GF" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "GF" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "GG" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "GG" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "GH" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "GH" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "GI" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "GI" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "GJ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "GJ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "GK" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "GK" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "GL" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "GL" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "GM" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "GM" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "GN" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "GN" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "GO" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "GO" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "GP" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "GP" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "GQ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "GQ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "GR" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "GR" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "GS" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "GS" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "GT" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "GT" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "GU" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "GU" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "GV" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "GV" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "GW" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "GW" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "GX" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "GX" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "GY" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "GY" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "GZ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "GZ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "G0" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "G0" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "G1" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "G1" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "G2" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "G2" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "G3" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "G3" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "G4" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "G4" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "G5" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "G5" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "G6" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "G6" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "G7" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "G7" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "G8" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "G8" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "G9" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "G9" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "HA" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "HA" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "HB" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "HB" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "HC" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "HC" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "HD" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "HD" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "HE" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "HE" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "HF" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "HF" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "HG" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "HG" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "HH" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "HH" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "HI" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "HI" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "HJ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "HJ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "HK" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "HK" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "HL" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "HL" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "HM" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "HM" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "HN" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "HN" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "HO" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "HO" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "HP" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "HP" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "HQ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "HQ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "HR" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "HR" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "HS" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "HS" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "HT" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "HT" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "HU" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "HU" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "HV" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "HV" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "HW" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "HW" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "HX" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "HX" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "HY" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "HY" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "HZ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "HZ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "H0" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "H0" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "H1" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "H1" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "H2" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "H2" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "H3" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "H3" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "H4" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "H4" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "H5" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "H5" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "H6" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "H6" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "H7" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "H7" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "H8" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "H8" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "H9" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "H9" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "IA" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "IA" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "IB" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "IB" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "IC" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "IC" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "ID" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "ID" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "IE" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "IE" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "IF" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "IF" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "IG" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "IG" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "IH" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "IH" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "II" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "II" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "IJ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "IJ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "IK" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "IK" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "IL" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "IL" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "IM" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "IM" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "IN" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "IN" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "IO" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "IO" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "IP" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "IP" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "IQ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "IQ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "IR" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "IR" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "IS" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "IS" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "IT" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "IT" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "IU" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "IU" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "IV" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "IV" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "IW" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "IW" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "IX" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "IX" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "IY" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "IY" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "IZ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "IZ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "I0" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "I0" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "I1" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "I1" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "I2" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "I2" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "I3" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "I3" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "I4" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "I4" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "I5" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "I5" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "I6" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "I6" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "I7" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "I7" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "I8" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "I8" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "I9" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "I9" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "JA" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "JA" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "JB" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "JB" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "JC" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "JC" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "JD" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "JD" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "JE" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "JE" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "JF" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "JF" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "JG" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "JG" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "JH" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "JH" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "JI" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "JI" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "JJ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "JJ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "JK" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "JK" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "JL" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "JL" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "JM" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "JM" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "JN" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "JN" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "JO" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "JO" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "JP" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "JP" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "JQ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "JQ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "JR" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "JR" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "JS" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "JS" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "JT" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "JT" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "JU" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "JU" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "JV" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "JV" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "JW" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "JW" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "JX" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "JX" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "JY" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "JY" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "JZ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "JZ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "J0" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "J0" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "J1" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "J1" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "J2" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "J2" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "J3" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "J3" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "J4" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "J4" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "J5" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "J5" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "J6" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "J6" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "J7" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "J7" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "J8" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "J8" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "J9" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "J9" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "KA" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "KA" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "KB" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "KB" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "KC" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "KC" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "KD" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "KD" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "KE" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "KE" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "KF" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "KF" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "KG" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "KG" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "KH" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "KH" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "KI" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "KI" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "KJ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "KJ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "KK" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "KK" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "KL" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "KL" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "KM" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "KM" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "KN" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "KN" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "KO" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "KO" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "KP" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "KP" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "KQ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "KQ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "KR" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "KR" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "KS" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "KS" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "KT" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "KT" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "KU" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "KU" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "KV" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "KV" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "KW" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "KW" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "KX" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "KX" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "KY" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "KY" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "KZ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "KZ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "K0" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "K0" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "K1" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "K1" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "K2" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "K2" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "K3" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "K3" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "K4" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "K4" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "K5" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "K5" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "K6" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "K6" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "K7" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "K7" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "K8" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "K8" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "K9" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "K9" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "LA" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "LA" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "LB" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "LB" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "LC" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "LC" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "LD" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "LD" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "LE" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "LE" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "LF" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "LF" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "LG" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "LG" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "LH" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "LH" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "LI" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "LI" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "LJ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "LJ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "LK" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "LK" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "LL" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "LL" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "LM" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "LM" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "LN" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "LN" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "LO" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "LO" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "LP" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "LP" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "LQ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "LQ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "LR" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "LR" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "LS" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "LS" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "LT" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "LT" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "LU" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "LU" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "LV" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "LV" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "LW" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "LW" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "LX" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "LX" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "LY" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "LY" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "LZ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "LZ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "L0" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "L0" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "L1" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "L1" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "L2" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "L2" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "L3" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "L3" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "L4" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "L4" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "L5" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "L5" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "L6" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "L6" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "L7" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "L7" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "L8" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "L8" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "L9" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "L9" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "MA" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "MA" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "MB" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "MB" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "MC" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "MC" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "MD" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "MD" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "ME" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "ME" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "MF" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "MF" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "MG" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "MG" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "MH" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "MH" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "MI" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "MI" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "MJ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "MJ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "MK" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "MK" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "ML" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "ML" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "MM" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "MM" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "MN" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "MN" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "MO" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "MO" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "MP" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "MP" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "MQ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "MQ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "MR" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "MR" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "MS" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "MS" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "MT" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "MT" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "MU" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "MU" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "MV" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "MV" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "MW" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "MW" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "MX" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "MX" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "MY" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "MY" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "MZ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "MZ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "M0" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "M0" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "M1" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "M1" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "M2" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "M2" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "M3" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "M3" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "M4" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "M4" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "M5" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "M5" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "M6" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "M6" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "M7" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "M7" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "M8" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "M8" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "M9" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "M9" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "NA" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "NA" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "NB" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "NB" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "NC" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "NC" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "ND" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "ND" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "NE" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "NE" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "NF" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "NF" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "NG" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "NG" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "NH" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "NH" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "NI" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "NI" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "NJ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "NJ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "NK" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "NK" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "NL" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "NL" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "NM" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "NM" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "NN" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "NN" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "NO" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "NO" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "NP" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "NP" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "NQ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "NQ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "NR" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "NR" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "NS" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "NS" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "NT" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "NT" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "NU" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "NU" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "NV" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "NV" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "NW" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "NW" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "NX" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "NX" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "NY" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "NY" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "NZ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "NZ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "N0" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "N0" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "N1" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "N1" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "N2" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "N2" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "N3" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "N3" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "N4" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "N4" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "N5" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "N5" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "N6" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "N6" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "N7" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "N7" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "N8" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "N8" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "N9" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "N9" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "OA" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "OA" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "OB" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "OB" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "OC" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "OC" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "OD" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "OD" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "OE" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "OE" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "OF" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "OF" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "OG" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "OG" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "OH" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "OH" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "OI" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "OI" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "OJ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "OJ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "OK" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "OK" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "OL" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "OL" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "OM" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "OM" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "ON" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "ON" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "OO" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "OO" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "OP" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "OP" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "OQ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "OQ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "OR" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "OR" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "OS" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "OS" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "OT" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "OT" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "OU" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "OU" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "OV" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "OV" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "OW" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "OW" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "OX" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "OX" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "OY" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "OY" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "OZ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "OZ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "O0" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "O0" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "O1" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "O1" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "O2" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "O2" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "O3" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "O3" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "O4" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "O4" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "O5" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "O5" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "O6" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "O6" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "O7" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "O7" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "O8" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "O8" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "O9" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "O9" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "PA" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "PA" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "PB" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "PB" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "PC" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "PC" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "PD" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "PD" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "PE" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "PE" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "PF" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "PF" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "PG" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "PG" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "PH" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "PH" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "PI" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "PI" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "PJ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "PJ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "PK" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "PK" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "PL" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "PL" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "PM" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "PM" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "PN" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "PN" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "PO" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "PO" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "PP" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "PP" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "PQ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "PQ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "PR" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "PR" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "PS" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "PS" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "PT" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "PT" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "PU" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "PU" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "PV" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "PV" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "PW" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "PW" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "PX" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "PX" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "PY" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "PY" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "PZ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "PZ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "P0" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "P0" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "P1" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "P1" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "P2" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "P2" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "P3" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "P3" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "P4" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "P4" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "P5" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "P5" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "P6" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "P6" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "P7" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "P7" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "P8" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "P8" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "P9" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "P9" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "QA" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "QA" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "QB" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "QB" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "QC" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "QC" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "QD" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "QD" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "QE" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "QE" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "QF" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "QF" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "QG" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "QG" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "QH" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "QH" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "QI" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "QI" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "QJ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "QJ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "QK" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "QK" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "QL" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "QL" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "QM" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "QM" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "QN" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "QN" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "QO" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "QO" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "QP" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "QP" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "QQ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "QQ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "QR" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "QR" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "QS" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "QS" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "QT" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "QT" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "QU" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "QU" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "QV" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "QV" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "QW" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "QW" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "QX" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "QX" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "QY" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "QY" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "QZ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "QZ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "Q0" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "Q0" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "Q1" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "Q1" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "Q2" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "Q2" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "Q3" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "Q3" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "Q4" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "Q4" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "Q5" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "Q5" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "Q6" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "Q6" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "Q7" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "Q7" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "Q8" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "Q8" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "Q9" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "Q9" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "RA" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "RA" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "RB" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "RB" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "RC" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "RC" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "RD" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "RD" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "RE" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "RE" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "RF" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "RF" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "RG" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "RG" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "RH" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "RH" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "RI" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "RI" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "RJ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "RJ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "RK" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "RK" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "RL" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "RL" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "RM" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "RM" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "RN" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "RN" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "RO" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "RO" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "RP" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "RP" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "RQ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "RQ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "RR" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "RR" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "RS" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "RS" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "RT" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "RT" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "RU" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "RU" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "RV" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "RV" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "RW" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "RW" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "RX" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "RX" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "RY" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "RY" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "RZ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "RZ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "R0" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "R0" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "R1" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "R1" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "R2" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "R2" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "R3" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "R3" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "R4" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "R4" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "R5" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "R5" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "R6" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "R6" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "R7" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "R7" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "R8" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "R8" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "R9" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "R9" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "SA" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "SA" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "SB" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "SB" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "SC" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "SC" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "SD" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "SD" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "SE" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "SE" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "SF" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "SF" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "SG" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "SG" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "SH" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "SH" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "SI" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "SI" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "SJ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "SJ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "SK" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "SK" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "SL" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "SL" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "SM" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "SM" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "SN" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "SN" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "SO" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "SO" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "SP" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "SP" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "SQ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "SQ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "SR" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "SR" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "SS" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "SS" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "ST" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "ST" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "SU" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "SU" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "SV" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "SV" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "SW" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "SW" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "SX" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "SX" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "SY" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "SY" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "SZ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "SZ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "S0" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "S0" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "S1" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "S1" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "S2" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "S2" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "S3" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "S3" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "S4" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "S4" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "S5" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "S5" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "S6" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "S6" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "S7" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "S7" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "S8" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "S8" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "S9" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "S9" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "TA" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "TA" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "TB" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "TB" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "TC" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "TC" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "TD" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "TD" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "TE" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "TE" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "TF" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "TF" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "TG" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "TG" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "TH" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "TH" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "TI" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "TI" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "TJ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "TJ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "TK" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "TK" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "TL" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "TL" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "TM" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "TM" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "TN" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "TN" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "TO" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "TO" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "TP" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "TP" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "TQ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "TQ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "TR" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "TR" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "TS" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "TS" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "TT" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "TT" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "TU" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "TU" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "TV" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "TV" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "TW" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "TW" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "TX" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "TX" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "TY" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "TY" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "TZ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "TZ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "T0" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "T0" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "T1" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "T1" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "T2" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "T2" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "T3" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "T3" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "T4" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "T4" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "T5" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "T5" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "T6" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "T6" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "T7" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "T7" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "T8" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "T8" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "T9" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "T9" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "UA" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "UA" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "UB" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "UB" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "UC" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "UC" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "UD" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "UD" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "UE" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "UE" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "UF" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "UF" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "UG" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "UG" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "UH" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "UH" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "UI" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "UI" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "UJ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "UJ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "UK" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "UK" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "UL" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "UL" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "UM" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "UM" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "UN" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "UN" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "UO" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "UO" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "UP" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "UP" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "UQ" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "UQ" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Chain: "UR" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Classifications: {'peptide': 3} Link IDs: {'TRANS': 2} Unresolved non-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: 43 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 43 Classifications: {'peptide': 5} Modifications used: {'PEPT-D': 1} Link IDs: {'TRANS': 4} Chain: "UR" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {'NH2': 1} Classifications: {'undetermined': 1} Time building chain proxies: 62.84, per 1000 atoms: 1.02 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 - 3.00 Amino acid : True - 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=800, symmetry=0 Links applied TRANS " DTR 0 204 " - " TYR 0 203 " " DTR 1 304 " - " TYR 1 303 " " DTR 2 404 " - " TYR 2 403 " " DTR 3 504 " - " TYR 3 503 " " DTR 4 604 " - " TYR 4 603 " " DTR 5 704 " - " TYR 5 703 " " DTR 6 4 " - " TYR 6 3 " " DTR 7 104 " - " TYR 7 103 " " DTR 8 204 " - " TYR 8 203 " " DTR 9 304 " - " TYR 9 303 " " DTR A 4 " - " TYR A 3 " " DTR B 104 " - " TYR B 103 " " DTR C 204 " - " TYR C 203 " " DTR D 304 " - " TYR D 303 " " DTR E 404 " - " TYR E 403 " " DTR F 504 " - " TYR F 503 " " DTR G 604 " - " TYR G 603 " " DTR H 704 " - " TYR H 703 " " DTR I 4 " - " TYR I 3 " " DTR J 104 " - " TYR J 103 " " DTR K 204 " - " TYR K 203 " " DTR L 304 " - " TYR L 303 " " DTR M 404 " - " TYR M 403 " " DTR N 504 " - " TYR N 503 " " DTR O 604 " - " TYR O 603 " " DTR P 704 " - " TYR P 703 " " DTR Q 4 " - " TYR Q 3 " " DTR R 104 " - " TYR R 103 " " DTR S 204 " - " TYR S 203 " " DTR T 304 " - " TYR T 303 " " DTR U 404 " - " TYR U 403 " " DTR V 504 " - " TYR V 503 " " DTR W 604 " - " TYR W 603 " " DTR X 704 " - " TYR X 703 " " DTR Y 4 " - " TYR Y 3 " " DTR Z 104 " - " TYR Z 103 " " DTR a 404 " - " TYR a 403 " " DTR b 504 " - " TYR b 503 " " DTR c 604 " - " TYR c 603 " " DTR d 704 " - " TYR d 703 " " DTR e 4 " - " TYR e 3 " " DTR f 104 " - " TYR f 103 " " DTR g 204 " - " TYR g 203 " " DTR h 304 " - " TYR h 303 " " DTR i 404 " - " TYR i 403 " " DTR j 504 " - " TYR j 503 " " DTR k 604 " - " TYR k 603 " " DTR l 704 " - " TYR l 703 " " DTR m 4 " - " TYR m 3 " " DTR n 104 " - " TYR n 103 " " DTR o 204 " - " TYR o 203 " " DTR p 304 " - " TYR p 303 " " DTR q 404 " - " TYR q 403 " " DTR r 504 " - " TYR r 503 " " DTR s 604 " - " TYR s 603 " " DTR t 704 " - " TYR t 703 " " DTR u 4 " - " TYR u 3 " " DTR v 104 " - " TYR v 103 " " DTR w 204 " - " TYR w 203 " " DTR x 304 " - " TYR x 303 " " DTR y 404 " - " TYR y 403 " " DTR z 504 " - " TYR z 503 " " DTRA0 4 " - " TYRA0 3 " " DTRA1 104 " - " TYRA1 103 " " DTRA2 204 " - " TYRA2 203 " " DTRA3 304 " - " TYRA3 303 " " DTRA4 404 " - " TYRA4 403 " " DTRA5 504 " - " TYRA5 503 " " DTRA6 604 " - " TYRA6 603 " " DTRA7 704 " - " TYRA7 703 " " DTRA8 4 " - " TYRA8 3 " " DTRA9 104 " - " TYRA9 103 " " DTRAA 604 " - " TYRAA 603 " " DTRAB 704 " - " TYRAB 703 " " DTRAC 4 " - " TYRAC 3 " " DTRAD 104 " - " TYRAD 103 " " DTRAE 204 " - " TYRAE 203 " " DTRAF 304 " - " TYRAF 303 " " DTRAG 404 " - " TYRAG 403 " " DTRAH 504 " - " TYRAH 503 " " DTRAI 604 " - " TYRAI 603 " " DTRAJ 704 " - " TYRAJ 703 " " DTRAK 4 " - " TYRAK 3 " " DTRAL 104 " - " TYRAL 103 " " DTRAM 204 " - " TYRAM 203 " " DTRAN 304 " - " TYRAN 303 " " DTRAO 404 " - " TYRAO 403 " " DTRAP 504 " - " TYRAP 503 " " DTRAQ 604 " - " TYRAQ 603 " " DTRAR 704 " - " TYRAR 703 " " DTRAS 4 " - " TYRAS 3 " " DTRAT 104 " - " TYRAT 103 " " DTRAU 204 " - " TYRAU 203 " " DTRAV 304 " - " TYRAV 303 " " DTRAW 404 " - " TYRAW 403 " " DTRAX 504 " - " TYRAX 503 " " DTRAY 604 " - " TYRAY 603 " " DTRAZ 704 " - " TYRAZ 703 " " DTRB0 404 " - " TYRB0 403 " " DTRB1 504 " - " TYRB1 503 " " DTRB2 604 " - " TYRB2 603 " " DTRB3 704 " - " TYRB3 703 " " DTRB4 4 " - " TYRB4 3 " " DTRB5 104 " - " TYRB5 103 " " DTRB6 204 " - " TYRB6 203 " " DTRB7 304 " - " TYRB7 303 " " DTRB8 404 " - " TYRB8 403 " " DTRB9 504 " - " TYRB9 503 " " DTRBA 204 " - " TYRBA 203 " " DTRBB 304 " - " TYRBB 303 " " DTRBC 404 " - " TYRBC 403 " " DTRBD 504 " - " TYRBD 503 " " DTRBE 604 " - " TYRBE 603 " " DTRBF 704 " - " TYRBF 703 " " DTRBG 4 " - " TYRBG 3 " " DTRBH 104 " - " TYRBH 103 " " DTRBI 204 " - " TYRBI 203 " " DTRBJ 304 " - " TYRBJ 303 " " DTRBK 404 " - " TYRBK 403 " " DTRBL 504 " - " TYRBL 503 " " DTRBM 604 " - " TYRBM 603 " " DTRBN 704 " - " TYRBN 703 " " DTRBO 4 " - " TYRBO 3 " " DTRBP 104 " - " TYRBP 103 " " DTRBQ 204 " - " TYRBQ 203 " " DTRBR 304 " - " TYRBR 303 " " DTRBS 404 " - " TYRBS 403 " " DTRBT 504 " - " TYRBT 503 " " DTRBU 604 " - " TYRBU 603 " " DTRBV 704 " - " TYRBV 703 " " DTRBW 4 " - " TYRBW 3 " " DTRBX 104 " - " TYRBX 103 " " DTRBY 204 " - " TYRBY 203 " " DTRBZ 304 " - " TYRBZ 303 " " DTRC0 4 " - " TYRC0 3 " " DTRC1 104 " - " TYRC1 103 " " DTRC2 204 " - " TYRC2 203 " " DTRC3 304 " - " TYRC3 303 " " DTRC4 404 " - " TYRC4 403 " " DTRC5 504 " - " TYRC5 503 " " DTRC6 604 " - " TYRC6 603 " " DTRC7 704 " - " TYRC7 703 " " DTRC8 4 " - " TYRC8 3 " " DTRC9 104 " - " TYRC9 103 " " DTRCA 604 " - " TYRCA 603 " " DTRCB 704 " - " TYRCB 703 " " DTRCC 4 " - " TYRCC 3 " " DTRCD 104 " - " TYRCD 103 " " DTRCE 204 " - " TYRCE 203 " " DTRCF 304 " - " TYRCF 303 " " DTRCG 404 " - " TYRCG 403 " " DTRCH 504 " - " TYRCH 503 " " DTRCI 604 " - " TYRCI 603 " " DTRCJ 704 " - " TYRCJ 703 " " DTRCK 4 " - " TYRCK 3 " " DTRCL 104 " - " TYRCL 103 " " DTRCM 204 " - " TYRCM 203 " " DTRCN 304 " - " TYRCN 303 " " DTRCO 404 " - " TYRCO 403 " " DTRCP 504 " - " TYRCP 503 " " DTRCQ 604 " - " TYRCQ 603 " " DTRCR 704 " - " TYRCR 703 " " DTRCS 4 " - " TYRCS 3 " " DTRCT 104 " - " TYRCT 103 " " DTRCU 204 " - " TYRCU 203 " " DTRCV 304 " - " TYRCV 303 " " DTRCW 404 " - " TYRCW 403 " " DTRCX 504 " - " TYRCX 503 " " DTRCY 604 " - " TYRCY 603 " " DTRCZ 704 " - " TYRCZ 703 " " DTRD0 404 " - " TYRD0 403 " " DTRD1 504 " - " TYRD1 503 " " DTRD2 604 " - " TYRD2 603 " " DTRD3 704 " - " TYRD3 703 " " DTRD4 4 " - " TYRD4 3 " " DTRD5 104 " - " TYRD5 103 " " DTRD6 204 " - " TYRD6 203 " " DTRD7 304 " - " TYRD7 303 " " DTRD8 404 " - " TYRD8 403 " " DTRD9 504 " - " TYRD9 503 " " DTRDA 204 " - " TYRDA 203 " " DTRDB 304 " - " TYRDB 303 " " DTRDC 404 " - " TYRDC 403 " " DTRDD 504 " - " TYRDD 503 " " DTRDE 604 " - " TYRDE 603 " " DTRDF 704 " - " TYRDF 703 " " DTRDG 4 " - " TYRDG 3 " " DTRDH 104 " - " TYRDH 103 " " DTRDI 204 " - " TYRDI 203 " " DTRDJ 304 " - " TYRDJ 303 " " DTRDK 404 " - " TYRDK 403 " " DTRDL 504 " - " TYRDL 503 " " DTRDM 604 " - " TYRDM 603 " " DTRDN 704 " - " TYRDN 703 " " DTRDO 4 " - " TYRDO 3 " " DTRDP 104 " - " TYRDP 103 " " DTRDQ 204 " - " TYRDQ 203 " " DTRDR 304 " - " TYRDR 303 " " DTRDS 404 " - " TYRDS 403 " " DTRDT 504 " - " TYRDT 503 " " DTRDU 604 " - " TYRDU 603 " " DTRDV 704 " - " TYRDV 703 " " DTRDW 4 " - " TYRDW 3 " " DTRDX 104 " - " TYRDX 103 " " DTRDY 204 " - " TYRDY 203 " " DTRDZ 304 " - " TYRDZ 303 " " DTRE0 4 " - " TYRE0 3 " " DTRE1 104 " - " TYRE1 103 " " DTRE2 204 " - " TYRE2 203 " " DTRE3 304 " - " TYRE3 303 " " DTRE4 404 " - " TYRE4 403 " " DTRE5 504 " - " TYRE5 503 " " DTRE6 604 " - " TYRE6 603 " " DTRE7 704 " - " TYRE7 703 " " DTRE8 4 " - " TYRE8 3 " " DTRE9 104 " - " TYRE9 103 " " DTREA 604 " - " TYREA 603 " " DTREB 704 " - " TYREB 703 " " DTREC 4 " - " TYREC 3 " " DTRED 104 " - " TYRED 103 " " DTREE 204 " - " TYREE 203 " " DTREF 304 " - " TYREF 303 " " DTREG 404 " - " TYREG 403 " " DTREH 504 " - " TYREH 503 " " DTREI 604 " - " TYREI 603 " " DTREJ 704 " - " TYREJ 703 " " DTREK 4 " - " TYREK 3 " " DTREL 104 " - " TYREL 103 " " DTREM 204 " - " TYREM 203 " " DTREN 304 " - " TYREN 303 " " DTREO 404 " - " TYREO 403 " " DTREP 504 " - " TYREP 503 " " DTREQ 604 " - " TYREQ 603 " " DTRER 704 " - " TYRER 703 " " DTRES 4 " - " TYRES 3 " " DTRET 104 " - " TYRET 103 " " DTREU 204 " - " TYREU 203 " " DTREV 304 " - " TYREV 303 " " DTREW 404 " - " TYREW 403 " " DTREX 504 " - " TYREX 503 " " DTREY 604 " - " TYREY 603 " " DTREZ 704 " - " TYREZ 703 " " DTRF0 404 " - " TYRF0 403 " " DTRF1 504 " - " TYRF1 503 " " DTRF2 604 " - " TYRF2 603 " " DTRF3 704 " - " TYRF3 703 " " DTRF4 4 " - " TYRF4 3 " " DTRF5 104 " - " TYRF5 103 " " DTRF6 204 " - " TYRF6 203 " " DTRF7 304 " - " TYRF7 303 " " DTRF8 404 " - " TYRF8 403 " " DTRF9 504 " - " TYRF9 503 " " DTRFA 204 " - " TYRFA 203 " " DTRFB 304 " - " TYRFB 303 " " DTRFC 404 " - " TYRFC 403 " " DTRFD 504 " - " TYRFD 503 " " DTRFE 604 " - " TYRFE 603 " " DTRFF 704 " - " TYRFF 703 " " DTRFG 4 " - " TYRFG 3 " " DTRFH 104 " - " TYRFH 103 " " DTRFI 204 " - " TYRFI 203 " " DTRFJ 304 " - " TYRFJ 303 " " DTRFK 404 " - " TYRFK 403 " " DTRFL 504 " - " TYRFL 503 " " DTRFM 604 " - " TYRFM 603 " " DTRFN 704 " - " TYRFN 703 " " DTRFO 4 " - " TYRFO 3 " " DTRFP 104 " - " TYRFP 103 " " DTRFQ 204 " - " TYRFQ 203 " " DTRFR 304 " - " TYRFR 303 " " DTRFS 404 " - " TYRFS 403 " " DTRFT 504 " - " TYRFT 503 " " DTRFU 604 " - " TYRFU 603 " " DTRFV 704 " - " TYRFV 703 " " DTRFW 4 " - " TYRFW 3 " " DTRFX 104 " - " TYRFX 103 " " DTRFY 204 " - " TYRFY 203 " " DTRFZ 304 " - " TYRFZ 303 " " DTRG0 4 " - " TYRG0 3 " " DTRG1 104 " - " TYRG1 103 " " DTRG2 204 " - " TYRG2 203 " " DTRG3 304 " - " TYRG3 303 " " DTRG4 404 " - " TYRG4 403 " " DTRG5 504 " - " TYRG5 503 " " DTRG6 604 " - " TYRG6 603 " " DTRG7 704 " - " TYRG7 703 " " DTRG8 4 " - " TYRG8 3 " " DTRG9 104 " - " TYRG9 103 " " DTRGA 604 " - " TYRGA 603 " " DTRGB 704 " - " TYRGB 703 " " DTRGC 4 " - " TYRGC 3 " " DTRGD 104 " - " TYRGD 103 " " DTRGE 204 " - " TYRGE 203 " " DTRGF 304 " - " TYRGF 303 " " DTRGG 404 " - " TYRGG 403 " " DTRGH 504 " - " TYRGH 503 " " DTRGI 604 " - " TYRGI 603 " " DTRGJ 704 " - " TYRGJ 703 " " DTRGK 4 " - " TYRGK 3 " " DTRGL 104 " - " TYRGL 103 " " DTRGM 204 " - " TYRGM 203 " " DTRGN 304 " - " TYRGN 303 " " DTRGO 404 " - " TYRGO 403 " " DTRGP 504 " - " TYRGP 503 " " DTRGQ 604 " - " TYRGQ 603 " " DTRGR 704 " - " TYRGR 703 " " DTRGS 4 " - " TYRGS 3 " " DTRGT 104 " - " TYRGT 103 " " DTRGU 204 " - " TYRGU 203 " " DTRGV 304 " - " TYRGV 303 " " DTRGW 404 " - " TYRGW 403 " " DTRGX 504 " - " TYRGX 503 " " DTRGY 604 " - " TYRGY 603 " " DTRGZ 704 " - " TYRGZ 703 " " DTRH0 404 " - " TYRH0 403 " " DTRH1 504 " - " TYRH1 503 " " DTRH2 604 " - " TYRH2 603 " " DTRH3 704 " - " TYRH3 703 " " DTRH4 4 " - " TYRH4 3 " " DTRH5 104 " - " TYRH5 103 " " DTRH6 204 " - " TYRH6 203 " " DTRH7 304 " - " TYRH7 303 " " DTRH8 404 " - " TYRH8 403 " " DTRH9 504 " - " TYRH9 503 " " DTRHA 204 " - " TYRHA 203 " " DTRHB 304 " - " TYRHB 303 " " DTRHC 404 " - " TYRHC 403 " " DTRHD 504 " - " TYRHD 503 " " DTRHE 604 " - " TYRHE 603 " " DTRHF 704 " - " TYRHF 703 " " DTRHG 4 " - " TYRHG 3 " " DTRHH 104 " - " TYRHH 103 " " DTRHI 204 " - " TYRHI 203 " " DTRHJ 304 " - " TYRHJ 303 " " DTRHK 404 " - " TYRHK 403 " " DTRHL 504 " - " TYRHL 503 " " DTRHM 604 " - " TYRHM 603 " " DTRHN 704 " - " TYRHN 703 " " DTRHO 4 " - " TYRHO 3 " " DTRHP 104 " - " TYRHP 103 " " DTRHQ 204 " - " TYRHQ 203 " " DTRHR 304 " - " TYRHR 303 " " DTRHS 404 " - " TYRHS 403 " " DTRHT 504 " - " TYRHT 503 " " DTRHU 604 " - " TYRHU 603 " " DTRHV 704 " - " TYRHV 703 " " DTRHW 4 " - " TYRHW 3 " " DTRHX 104 " - " TYRHX 103 " " DTRHY 204 " - " TYRHY 203 " " DTRHZ 304 " - " TYRHZ 303 " " DTRI0 4 " - " TYRI0 3 " " DTRI1 104 " - " TYRI1 103 " " DTRI2 204 " - " TYRI2 203 " " DTRI3 304 " - " TYRI3 303 " " DTRI4 404 " - " TYRI4 403 " " DTRI5 504 " - " TYRI5 503 " " DTRI6 604 " - " TYRI6 603 " " DTRI7 704 " - " TYRI7 703 " " DTRI8 4 " - " TYRI8 3 " " DTRI9 104 " - " TYRI9 103 " " DTRIA 604 " - " TYRIA 603 " " DTRIB 704 " - " TYRIB 703 " " DTRIC 4 " - " TYRIC 3 " " DTRID 104 " - " TYRID 103 " " DTRIE 204 " - " TYRIE 203 " " DTRIF 304 " - " TYRIF 303 " " DTRIG 404 " - " TYRIG 403 " " DTRIH 504 " - " TYRIH 503 " " DTRII 604 " - " TYRII 603 " " DTRIJ 704 " - " TYRIJ 703 " " DTRIK 4 " - " TYRIK 3 " " DTRIL 104 " - " TYRIL 103 " " DTRIM 204 " - " TYRIM 203 " " DTRIN 304 " - " TYRIN 303 " " DTRIO 404 " - " TYRIO 403 " " DTRIP 504 " - " TYRIP 503 " " DTRIQ 604 " - " TYRIQ 603 " " DTRIR 704 " - " TYRIR 703 " " DTRIS 4 " - " TYRIS 3 " " DTRIT 104 " - " TYRIT 103 " " DTRIU 204 " - " TYRIU 203 " " DTRIV 304 " - " TYRIV 303 " " DTRIW 404 " - " TYRIW 403 " " DTRIX 504 " - " TYRIX 503 " " DTRIY 604 " - " TYRIY 603 " " DTRIZ 704 " - " TYRIZ 703 " " DTRJ0 404 " - " TYRJ0 403 " " DTRJ1 504 " - " TYRJ1 503 " " DTRJ2 604 " - " TYRJ2 603 " " DTRJ3 704 " - " TYRJ3 703 " " DTRJ4 4 " - " TYRJ4 3 " " DTRJ5 104 " - " TYRJ5 103 " " DTRJ6 204 " - " TYRJ6 203 " " DTRJ7 304 " - " TYRJ7 303 " " DTRJ8 404 " - " TYRJ8 403 " " DTRJ9 504 " - " TYRJ9 503 " " DTRJA 204 " - " TYRJA 203 " " DTRJB 304 " - " TYRJB 303 " " DTRJC 404 " - " TYRJC 403 " " DTRJD 504 " - " TYRJD 503 " " DTRJE 604 " - " TYRJE 603 " " DTRJF 704 " - " TYRJF 703 " " DTRJG 4 " - " TYRJG 3 " " DTRJH 104 " - " TYRJH 103 " " DTRJI 204 " - " TYRJI 203 " " DTRJJ 304 " - " TYRJJ 303 " " DTRJK 404 " - " TYRJK 403 " " DTRJL 504 " - " TYRJL 503 " " DTRJM 604 " - " TYRJM 603 " " DTRJN 704 " - " TYRJN 703 " " DTRJO 4 " - " TYRJO 3 " " DTRJP 104 " - " TYRJP 103 " " DTRJQ 204 " - " TYRJQ 203 " " DTRJR 304 " - " TYRJR 303 " " DTRJS 404 " - " TYRJS 403 " " DTRJT 504 " - " TYRJT 503 " " DTRJU 604 " - " TYRJU 603 " " DTRJV 704 " - " TYRJV 703 " " DTRJW 4 " - " TYRJW 3 " " DTRJX 104 " - " TYRJX 103 " " DTRJY 204 " - " TYRJY 203 " " DTRJZ 304 " - " TYRJZ 303 " " DTRK0 4 " - " TYRK0 3 " " DTRK1 104 " - " TYRK1 103 " " DTRK2 204 " - " TYRK2 203 " " DTRK3 304 " - " TYRK3 303 " " DTRK4 404 " - " TYRK4 403 " " DTRK5 504 " - " TYRK5 503 " " DTRK6 604 " - " TYRK6 603 " " DTRK7 704 " - " TYRK7 703 " " DTRK8 4 " - " TYRK8 3 " " DTRK9 104 " - " TYRK9 103 " " DTRKA 604 " - " TYRKA 603 " " DTRKB 704 " - " TYRKB 703 " " DTRKC 4 " - " TYRKC 3 " " DTRKD 104 " - " TYRKD 103 " " DTRKE 204 " - " TYRKE 203 " " DTRKF 304 " - " TYRKF 303 " " DTRKG 404 " - " TYRKG 403 " " DTRKH 504 " - " TYRKH 503 " " DTRKI 604 " - " TYRKI 603 " " DTRKJ 704 " - " TYRKJ 703 " " DTRKK 4 " - " TYRKK 3 " " DTRKL 104 " - " TYRKL 103 " " DTRKM 204 " - " TYRKM 203 " " DTRKN 304 " - " TYRKN 303 " " DTRKO 404 " - " TYRKO 403 " " DTRKP 504 " - " TYRKP 503 " " DTRKQ 604 " - " TYRKQ 603 " " DTRKR 704 " - " TYRKR 703 " " DTRKS 4 " - " TYRKS 3 " " DTRKT 104 " - " TYRKT 103 " " DTRKU 204 " - " TYRKU 203 " " DTRKV 304 " - " TYRKV 303 " " DTRKW 404 " - " TYRKW 403 " " DTRKX 504 " - " TYRKX 503 " " DTRKY 604 " - " TYRKY 603 " " DTRKZ 704 " - " TYRKZ 703 " " DTRL0 404 " - " TYRL0 403 " " DTRL1 504 " - " TYRL1 503 " " DTRL2 604 " - " TYRL2 603 " " DTRL3 704 " - " TYRL3 703 " " DTRL4 4 " - " TYRL4 3 " " DTRL5 104 " - " TYRL5 103 " " DTRL6 204 " - " TYRL6 203 " " DTRL7 304 " - " TYRL7 303 " " DTRL8 404 " - " TYRL8 403 " " DTRL9 504 " - " TYRL9 503 " " DTRLA 204 " - " TYRLA 203 " " DTRLB 304 " - " TYRLB 303 " " DTRLC 404 " - " TYRLC 403 " " DTRLD 504 " - " TYRLD 503 " " DTRLE 604 " - " TYRLE 603 " " DTRLF 704 " - " TYRLF 703 " " DTRLG 4 " - " TYRLG 3 " " DTRLH 104 " - " TYRLH 103 " " DTRLI 204 " - " TYRLI 203 " " DTRLJ 304 " - " TYRLJ 303 " " DTRLK 404 " - " TYRLK 403 " " DTRLL 504 " - " TYRLL 503 " " DTRLM 604 " - " TYRLM 603 " " DTRLN 704 " - " TYRLN 703 " " DTRLO 4 " - " TYRLO 3 " " DTRLP 104 " - " TYRLP 103 " " DTRLQ 204 " - " TYRLQ 203 " " DTRLR 304 " - " TYRLR 303 " " DTRLS 404 " - " TYRLS 403 " " DTRLT 504 " - " TYRLT 503 " " DTRLU 604 " - " TYRLU 603 " " DTRLV 704 " - " TYRLV 703 " " DTRLW 4 " - " TYRLW 3 " " DTRLX 104 " - " TYRLX 103 " " DTRLY 204 " - " TYRLY 203 " " DTRLZ 304 " - " TYRLZ 303 " " DTRM0 4 " - " TYRM0 3 " " DTRM1 104 " - " TYRM1 103 " " DTRM2 204 " - " TYRM2 203 " " DTRM3 304 " - " TYRM3 303 " " DTRM4 404 " - " TYRM4 403 " " DTRM5 504 " - " TYRM5 503 " " DTRM6 604 " - " TYRM6 603 " " DTRM7 704 " - " TYRM7 703 " " DTRM8 4 " - " TYRM8 3 " " DTRM9 104 " - " TYRM9 103 " " DTRMA 604 " - " TYRMA 603 " " DTRMB 704 " - " TYRMB 703 " " DTRMC 4 " - " TYRMC 3 " " DTRMD 104 " - " TYRMD 103 " " DTRME 204 " - " TYRME 203 " " DTRMF 304 " - " TYRMF 303 " " DTRMG 404 " - " TYRMG 403 " " DTRMH 504 " - " TYRMH 503 " " DTRMI 604 " - " TYRMI 603 " " DTRMJ 704 " - " TYRMJ 703 " " DTRMK 4 " - " TYRMK 3 " " DTRML 104 " - " TYRML 103 " " DTRMM 204 " - " TYRMM 203 " " DTRMN 304 " - " TYRMN 303 " " DTRMO 404 " - " TYRMO 403 " " DTRMP 504 " - " TYRMP 503 " " DTRMQ 604 " - " TYRMQ 603 " " DTRMR 704 " - " TYRMR 703 " " DTRMS 4 " - " TYRMS 3 " " DTRMT 104 " - " TYRMT 103 " " DTRMU 204 " - " TYRMU 203 " " DTRMV 304 " - " TYRMV 303 " " DTRMW 404 " - " TYRMW 403 " " DTRMX 504 " - " TYRMX 503 " " DTRMY 604 " - " TYRMY 603 " " DTRMZ 704 " - " TYRMZ 703 " " DTRN0 404 " - " TYRN0 403 " " DTRN1 504 " - " TYRN1 503 " " DTRN2 604 " - " TYRN2 603 " " DTRN3 704 " - " TYRN3 703 " " DTRN4 4 " - " TYRN4 3 " " DTRN5 104 " - " TYRN5 103 " " DTRN6 204 " - " TYRN6 203 " " DTRN7 304 " - " TYRN7 303 " " DTRN8 404 " - " TYRN8 403 " " DTRN9 504 " - " TYRN9 503 " " DTRNA 204 " - " TYRNA 203 " " DTRNB 304 " - " TYRNB 303 " " DTRNC 404 " - " TYRNC 403 " " DTRND 504 " - " TYRND 503 " " DTRNE 604 " - " TYRNE 603 " " DTRNF 704 " - " TYRNF 703 " " DTRNG 4 " - " TYRNG 3 " " DTRNH 104 " - " TYRNH 103 " " DTRNI 204 " - " TYRNI 203 " " DTRNJ 304 " - " TYRNJ 303 " " DTRNK 404 " - " TYRNK 403 " " DTRNL 504 " - " TYRNL 503 " " DTRNM 604 " - " TYRNM 603 " " DTRNN 704 " - " TYRNN 703 " " DTRNO 4 " - " TYRNO 3 " " DTRNP 104 " - " TYRNP 103 " " DTRNQ 204 " - " TYRNQ 203 " " DTRNR 304 " - " TYRNR 303 " " DTRNS 404 " - " TYRNS 403 " " DTRNT 504 " - " TYRNT 503 " " DTRNU 604 " - " TYRNU 603 " " DTRNV 704 " - " TYRNV 703 " " DTRNW 4 " - " TYRNW 3 " " DTRNX 104 " - " TYRNX 103 " " DTRNY 204 " - " TYRNY 203 " " DTRNZ 304 " - " TYRNZ 303 " " DTRO0 4 " - " TYRO0 3 " " DTRO1 104 " - " TYRO1 103 " " DTRO2 204 " - " TYRO2 203 " " DTRO3 304 " - " TYRO3 303 " " DTRO4 404 " - " TYRO4 403 " " DTRO5 504 " - " TYRO5 503 " " DTRO6 604 " - " TYRO6 603 " " DTRO7 704 " - " TYRO7 703 " " DTRO8 4 " - " TYRO8 3 " " DTRO9 104 " - " TYRO9 103 " " DTROA 604 " - " TYROA 603 " " DTROB 704 " - " TYROB 703 " " DTROC 4 " - " TYROC 3 " " DTROD 104 " - " TYROD 103 " " DTROE 204 " - " TYROE 203 " " DTROF 304 " - " TYROF 303 " " DTROG 404 " - " TYROG 403 " " DTROH 504 " - " TYROH 503 " " DTROI 604 " - " TYROI 603 " " DTROJ 704 " - " TYROJ 703 " " DTROK 4 " - " TYROK 3 " " DTROL 104 " - " TYROL 103 " " DTROM 204 " - " TYROM 203 " " DTRON 304 " - " TYRON 303 " " DTROO 404 " - " TYROO 403 " " DTROP 504 " - " TYROP 503 " " DTROQ 604 " - " TYROQ 603 " " DTROR 704 " - " TYROR 703 " " DTROS 4 " - " TYROS 3 " " DTROT 104 " - " TYROT 103 " " DTROU 204 " - " TYROU 203 " " DTROV 304 " - " TYROV 303 " " DTROW 404 " - " TYROW 403 " " DTROX 504 " - " TYROX 503 " " DTROY 604 " - " TYROY 603 " " DTROZ 704 " - " TYROZ 703 " " DTRP0 404 " - " TYRP0 403 " " DTRP1 504 " - " TYRP1 503 " " DTRP2 604 " - " TYRP2 603 " " DTRP3 704 " - " TYRP3 703 " " DTRP4 4 " - " TYRP4 3 " " DTRP5 104 " - " TYRP5 103 " " DTRP6 204 " - " TYRP6 203 " " DTRP7 304 " - " TYRP7 303 " " DTRP8 404 " - " TYRP8 403 " " DTRP9 504 " - " TYRP9 503 " " DTRPA 204 " - " TYRPA 203 " " DTRPB 304 " - " TYRPB 303 " " DTRPC 404 " - " TYRPC 403 " " DTRPD 504 " - " TYRPD 503 " " DTRPE 604 " - " TYRPE 603 " " DTRPF 704 " - " TYRPF 703 " " DTRPG 4 " - " TYRPG 3 " " DTRPH 104 " - " TYRPH 103 " " DTRPI 204 " - " TYRPI 203 " " DTRPJ 304 " - " TYRPJ 303 " " DTRPK 404 " - " TYRPK 403 " " DTRPL 504 " - " TYRPL 503 " " DTRPM 604 " - " TYRPM 603 " " DTRPN 704 " - " TYRPN 703 " " DTRPO 4 " - " TYRPO 3 " " DTRPP 104 " - " TYRPP 103 " " DTRPQ 204 " - " TYRPQ 203 " " DTRPR 304 " - " TYRPR 303 " " DTRPS 404 " - " TYRPS 403 " " DTRPT 504 " - " TYRPT 503 " " DTRPU 604 " - " TYRPU 603 " " DTRPV 704 " - " TYRPV 703 " " DTRPW 4 " - " TYRPW 3 " " DTRPX 104 " - " TYRPX 103 " " DTRPY 204 " - " TYRPY 203 " " DTRPZ 304 " - " TYRPZ 303 " " DTRQ0 4 " - " TYRQ0 3 " " DTRQ1 104 " - " TYRQ1 103 " " DTRQ2 204 " - " TYRQ2 203 " " DTRQ3 304 " - " TYRQ3 303 " " DTRQ4 404 " - " TYRQ4 403 " " DTRQ5 504 " - " TYRQ5 503 " " DTRQ6 604 " - " TYRQ6 603 " " DTRQ7 704 " - " TYRQ7 703 " " DTRQ8 4 " - " TYRQ8 3 " " DTRQ9 104 " - " TYRQ9 103 " " DTRQA 604 " - " TYRQA 603 " " DTRQB 704 " - " TYRQB 703 " " DTRQC 4 " - " TYRQC 3 " " DTRQD 104 " - " TYRQD 103 " " DTRQE 204 " - " TYRQE 203 " " DTRQF 304 " - " TYRQF 303 " " DTRQG 404 " - " TYRQG 403 " " DTRQH 504 " - " TYRQH 503 " " DTRQI 604 " - " TYRQI 603 " " DTRQJ 704 " - " TYRQJ 703 " " DTRQK 4 " - " TYRQK 3 " " DTRQL 104 " - " TYRQL 103 " " DTRQM 204 " - " TYRQM 203 " " DTRQN 304 " - " TYRQN 303 " " DTRQO 404 " - " TYRQO 403 " " DTRQP 504 " - " TYRQP 503 " " DTRQQ 604 " - " TYRQQ 603 " " DTRQR 704 " - " TYRQR 703 " " DTRQS 4 " - " TYRQS 3 " " DTRQT 104 " - " TYRQT 103 " " DTRQU 204 " - " TYRQU 203 " " DTRQV 304 " - " TYRQV 303 " " DTRQW 404 " - " TYRQW 403 " " DTRQX 504 " - " TYRQX 503 " " DTRQY 604 " - " TYRQY 603 " " DTRQZ 704 " - " TYRQZ 703 " " DTRR0 404 " - " TYRR0 403 " " DTRR1 504 " - " TYRR1 503 " " DTRR2 604 " - " TYRR2 603 " " DTRR3 704 " - " TYRR3 703 " " DTRR4 4 " - " TYRR4 3 " " DTRR5 104 " - " TYRR5 103 " " DTRR6 204 " - " TYRR6 203 " " DTRR7 304 " - " TYRR7 303 " " DTRR8 404 " - " TYRR8 403 " " DTRR9 504 " - " TYRR9 503 " " DTRRA 204 " - " TYRRA 203 " " DTRRB 304 " - " TYRRB 303 " " DTRRC 404 " - " TYRRC 403 " " DTRRD 504 " - " TYRRD 503 " " DTRRE 604 " - " TYRRE 603 " " DTRRF 704 " - " TYRRF 703 " " DTRRG 4 " - " TYRRG 3 " " DTRRH 104 " - " TYRRH 103 " " DTRRI 204 " - " TYRRI 203 " " DTRRJ 304 " - " TYRRJ 303 " " DTRRK 404 " - " TYRRK 403 " " DTRRL 504 " - " TYRRL 503 " " DTRRM 604 " - " TYRRM 603 " " DTRRN 704 " - " TYRRN 703 " " DTRRO 4 " - " TYRRO 3 " " DTRRP 104 " - " TYRRP 103 " " DTRRQ 204 " - " TYRRQ 203 " " DTRRR 304 " - " TYRRR 303 " " DTRRS 404 " - " TYRRS 403 " " DTRRT 504 " - " TYRRT 503 " " DTRRU 604 " - " TYRRU 603 " " DTRRV 704 " - " TYRRV 703 " " DTRRW 4 " - " TYRRW 3 " " DTRRX 104 " - " TYRRX 103 " " DTRRY 204 " - " TYRRY 203 " " DTRRZ 304 " - " TYRRZ 303 " " DTRS0 4 " - " TYRS0 3 " " DTRS1 104 " - " TYRS1 103 " " DTRS2 204 " - " TYRS2 203 " " DTRS3 304 " - " TYRS3 303 " " DTRS4 404 " - " TYRS4 403 " " DTRS5 504 " - " TYRS5 503 " " DTRS6 604 " - " TYRS6 603 " " DTRS7 704 " - " TYRS7 703 " " DTRS8 4 " - " TYRS8 3 " " DTRS9 104 " - " TYRS9 103 " " DTRSA 604 " - " TYRSA 603 " " DTRSB 704 " - " TYRSB 703 " " DTRSC 4 " - " TYRSC 3 " " DTRSD 104 " - " TYRSD 103 " " DTRSE 204 " - " TYRSE 203 " " DTRSF 304 " - " TYRSF 303 " " DTRSG 404 " - " TYRSG 403 " " DTRSH 504 " - " TYRSH 503 " " DTRSI 604 " - " TYRSI 603 " " DTRSJ 704 " - " TYRSJ 703 " " DTRSK 4 " - " TYRSK 3 " " DTRSL 104 " - " TYRSL 103 " " DTRSM 204 " - " TYRSM 203 " " DTRSN 304 " - " TYRSN 303 " " DTRSO 404 " - " TYRSO 403 " " DTRSP 504 " - " TYRSP 503 " " DTRSQ 604 " - " TYRSQ 603 " " DTRSR 704 " - " TYRSR 703 " " DTRSS 4 " - " TYRSS 3 " " DTRST 104 " - " TYRST 103 " " DTRSU 204 " - " TYRSU 203 " " DTRSV 304 " - " TYRSV 303 " " DTRSW 404 " - " TYRSW 403 " " DTRSX 504 " - " TYRSX 503 " " DTRSY 604 " - " TYRSY 603 " " DTRSZ 704 " - " TYRSZ 703 " " DTRT0 404 " - " TYRT0 403 " " DTRT1 504 " - " TYRT1 503 " " DTRT2 604 " - " TYRT2 603 " " DTRT3 704 " - " TYRT3 703 " " DTRT4 4 " - " TYRT4 3 " " DTRT5 104 " - " TYRT5 103 " " DTRT6 204 " - " TYRT6 203 " " DTRT7 304 " - " TYRT7 303 " " DTRT8 404 " - " TYRT8 403 " " DTRT9 504 " - " TYRT9 503 " " DTRTA 204 " - " TYRTA 203 " " DTRTB 304 " - " TYRTB 303 " " DTRTC 404 " - " TYRTC 403 " " DTRTD 504 " - " TYRTD 503 " " DTRTE 604 " - " TYRTE 603 " " DTRTF 704 " - " TYRTF 703 " " DTRTG 4 " - " TYRTG 3 " " DTRTH 104 " - " TYRTH 103 " " DTRTI 204 " - " TYRTI 203 " " DTRTJ 304 " - " TYRTJ 303 " " DTRTK 404 " - " TYRTK 403 " " DTRTL 504 " - " TYRTL 503 " " DTRTM 604 " - " TYRTM 603 " " DTRTN 704 " - " TYRTN 703 " " DTRTO 4 " - " TYRTO 3 " " DTRTP 104 " - " TYRTP 103 " " DTRTQ 204 " - " TYRTQ 203 " " DTRTR 304 " - " TYRTR 303 " " DTRTS 404 " - " TYRTS 403 " " DTRTT 504 " - " TYRTT 503 " " DTRTU 604 " - " TYRTU 603 " " DTRTV 704 " - " TYRTV 703 " " DTRTW 4 " - " TYRTW 3 " " DTRTX 104 " - " TYRTX 103 " " DTRTY 204 " - " TYRTY 203 " " DTRTZ 304 " - " TYRTZ 303 " " DTRUA 604 " - " TYRUA 603 " " DTRUB 704 " - " TYRUB 703 " " DTRUC 4 " - " TYRUC 3 " " DTRUD 104 " - " TYRUD 103 " " DTRUE 204 " - " TYRUE 203 " " DTRUF 304 " - " TYRUF 303 " " DTRUG 404 " - " TYRUG 403 " " DTRUH 504 " - " TYRUH 503 " " DTRUI 604 " - " TYRUI 603 " " DTRUJ 704 " - " TYRUJ 703 " " DTRUK 4 " - " TYRUK 3 " " DTRUL 104 " - " TYRUL 103 " " DTRUM 204 " - " TYRUM 203 " " DTRUN 304 " - " TYRUN 303 " " DTRUO 404 " - " TYRUO 403 " " DTRUP 504 " - " TYRUP 503 " " DTRUQ 604 " - " TYRUQ 603 " " DTRUR 704 " - " TYRUR 703 " Number of additional bonds: simple=800, symmetry=0 Coordination: Other bonds: Time building additional restraints: 19.76 Conformation dependent library (CDL) restraints added in 2.5 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... Secondary structure from input PDB file: 0 helices and 600 sheets defined 0.0% alpha, 35.7% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 34.74 Creating SS restraints... Processing sheet with id=1, first strand: chain 'A' and resid 2 through 3 Processing sheet with id=2, first strand: chain 'B' and resid 102 through 103 Processing sheet with id=3, first strand: chain 'D' and resid 302 through 303 Processing sheet with id=4, first strand: chain 'E' and resid 402 through 403 Processing sheet with id=5, first strand: chain 'F' and resid 502 through 503 Processing sheet with id=6, first strand: chain 'H' and resid 702 through 703 Processing sheet with id=7, first strand: chain 'I' and resid 2 through 3 Processing sheet with id=8, first strand: chain 'J' and resid 102 through 103 Processing sheet with id=9, first strand: chain 'L' and resid 302 through 303 Processing sheet with id=10, first strand: chain 'M' and resid 402 through 403 Processing sheet with id=11, first strand: chain 'N' and resid 502 through 503 Processing sheet with id=12, first strand: chain 'P' and resid 702 through 703 Processing sheet with id=13, first strand: chain 'Q' and resid 2 through 3 Processing sheet with id=14, first strand: chain 'R' and resid 102 through 103 Processing sheet with id=15, first strand: chain 'T' and resid 302 through 303 Processing sheet with id=16, first strand: chain 'U' and resid 402 through 403 Processing sheet with id=17, first strand: chain 'V' and resid 502 through 503 Processing sheet with id=18, first strand: chain 'X' and resid 702 through 703 Processing sheet with id=19, first strand: chain 'Y' and resid 2 through 3 Processing sheet with id=20, first strand: chain 'Z' and resid 102 through 103 Processing sheet with id=21, first strand: chain '1' and resid 302 through 303 Processing sheet with id=22, first strand: chain '2' and resid 402 through 403 Processing sheet with id=23, first strand: chain '3' and resid 502 through 503 Processing sheet with id=24, first strand: chain '5' and resid 702 through 703 Processing sheet with id=25, first strand: chain '6' and resid 2 through 3 Processing sheet with id=26, first strand: chain '7' and resid 102 through 103 Processing sheet with id=27, first strand: chain '9' and resid 302 through 303 Processing sheet with id=28, first strand: chain 'a' and resid 402 through 403 Processing sheet with id=29, first strand: chain 'b' and resid 502 through 503 Processing sheet with id=30, first strand: chain 'd' and resid 702 through 703 Processing sheet with id=31, first strand: chain 'e' and resid 2 through 3 Processing sheet with id=32, first strand: chain 'f' and resid 102 through 103 Processing sheet with id=33, first strand: chain 'h' and resid 302 through 303 Processing sheet with id=34, first strand: chain 'i' and resid 402 through 403 Processing sheet with id=35, first strand: chain 'j' and resid 502 through 503 Processing sheet with id=36, first strand: chain 'l' and resid 702 through 703 Processing sheet with id=37, first strand: chain 'm' and resid 2 through 3 Processing sheet with id=38, first strand: chain 'n' and resid 102 through 103 Processing sheet with id=39, first strand: chain 'p' and resid 302 through 303 Processing sheet with id=40, first strand: chain 'q' and resid 402 through 403 Processing sheet with id=41, first strand: chain 'r' and resid 502 through 503 Processing sheet with id=42, first strand: chain 't' and resid 702 through 703 Processing sheet with id=43, first strand: chain 'u' and resid 2 through 3 Processing sheet with id=44, first strand: chain 'v' and resid 102 through 103 Processing sheet with id=45, first strand: chain 'x' and resid 302 through 303 Processing sheet with id=46, first strand: chain 'y' and resid 402 through 403 Processing sheet with id=47, first strand: chain 'z' and resid 502 through 503 Processing sheet with id=48, first strand: chain 'AB' and resid 702 through 703 Processing sheet with id=49, first strand: chain 'AC' and resid 2 through 3 Processing sheet with id=50, first strand: chain 'AD' and resid 102 through 103 Processing sheet with id=51, first strand: chain 'AF' and resid 302 through 303 Processing sheet with id=52, first strand: chain 'AG' and resid 402 through 403 Processing sheet with id=53, first strand: chain 'AH' and resid 502 through 503 Processing sheet with id=54, first strand: chain 'AJ' and resid 702 through 703 Processing sheet with id=55, first strand: chain 'AK' and resid 2 through 3 Processing sheet with id=56, first strand: chain 'AL' and resid 102 through 103 Processing sheet with id=57, first strand: chain 'AN' and resid 302 through 303 Processing sheet with id=58, first strand: chain 'AO' and resid 402 through 403 Processing sheet with id=59, first strand: chain 'AP' and resid 502 through 503 Processing sheet with id=60, first strand: chain 'AR' and resid 702 through 703 Processing sheet with id=61, first strand: chain 'AS' and resid 2 through 3 Processing sheet with id=62, first strand: chain 'AT' and resid 102 through 103 Processing sheet with id=63, first strand: chain 'AV' and resid 302 through 303 Processing sheet with id=64, first strand: chain 'AW' and resid 402 through 403 Processing sheet with id=65, first strand: chain 'AX' and resid 502 through 503 Processing sheet with id=66, first strand: chain 'AZ' and resid 702 through 703 Processing sheet with id=67, first strand: chain 'A0' and resid 2 through 3 Processing sheet with id=68, first strand: chain 'A1' and resid 102 through 103 Processing sheet with id=69, first strand: chain 'A3' and resid 302 through 303 Processing sheet with id=70, first strand: chain 'A4' and resid 402 through 403 Processing sheet with id=71, first strand: chain 'A5' and resid 502 through 503 Processing sheet with id=72, first strand: chain 'A7' and resid 702 through 703 Processing sheet with id=73, first strand: chain 'A8' and resid 2 through 3 Processing sheet with id=74, first strand: chain 'A9' and resid 102 through 103 Processing sheet with id=75, first strand: chain 'BB' and resid 302 through 303 Processing sheet with id=76, first strand: chain 'BC' and resid 402 through 403 Processing sheet with id=77, first strand: chain 'BD' and resid 502 through 503 Processing sheet with id=78, first strand: chain 'BF' and resid 702 through 703 Processing sheet with id=79, first strand: chain 'BG' and resid 2 through 3 Processing sheet with id=80, first strand: chain 'BH' and resid 102 through 103 Processing sheet with id=81, first strand: chain 'BJ' and resid 302 through 303 Processing sheet with id=82, first strand: chain 'BK' and resid 402 through 403 Processing sheet with id=83, first strand: chain 'BL' and resid 502 through 503 Processing sheet with id=84, first strand: chain 'BN' and resid 702 through 703 Processing sheet with id=85, first strand: chain 'BO' and resid 2 through 3 Processing sheet with id=86, first strand: chain 'BP' and resid 102 through 103 Processing sheet with id=87, first strand: chain 'BR' and resid 302 through 303 Processing sheet with id=88, first strand: chain 'BS' and resid 402 through 403 Processing sheet with id=89, first strand: chain 'BT' and resid 502 through 503 Processing sheet with id=90, first strand: chain 'BV' and resid 702 through 703 Processing sheet with id=91, first strand: chain 'BW' and resid 2 through 3 Processing sheet with id=92, first strand: chain 'BX' and resid 102 through 103 Processing sheet with id=93, first strand: chain 'BZ' and resid 302 through 303 Processing sheet with id=94, first strand: chain 'B0' and resid 402 through 403 Processing sheet with id=95, first strand: chain 'B1' and resid 502 through 503 Processing sheet with id=96, first strand: chain 'B3' and resid 702 through 703 Processing sheet with id=97, first strand: chain 'B4' and resid 2 through 3 Processing sheet with id=98, first strand: chain 'B5' and resid 102 through 103 Processing sheet with id=99, first strand: chain 'B7' and resid 302 through 303 Processing sheet with id=100, first strand: chain 'B8' and resid 402 through 403 Processing sheet with id=101, first strand: chain 'B9' and resid 502 through 503 Processing sheet with id=102, first strand: chain 'CB' and resid 702 through 703 Processing sheet with id=103, first strand: chain 'CC' and resid 2 through 3 Processing sheet with id=104, first strand: chain 'CD' and resid 102 through 103 Processing sheet with id=105, first strand: chain 'CF' and resid 302 through 303 Processing sheet with id=106, first strand: chain 'CG' and resid 402 through 403 Processing sheet with id=107, first strand: chain 'CH' and resid 502 through 503 Processing sheet with id=108, first strand: chain 'CJ' and resid 702 through 703 Processing sheet with id=109, first strand: chain 'CK' and resid 2 through 3 Processing sheet with id=110, first strand: chain 'CL' and resid 102 through 103 Processing sheet with id=111, first strand: chain 'CN' and resid 302 through 303 Processing sheet with id=112, first strand: chain 'CO' and resid 402 through 403 Processing sheet with id=113, first strand: chain 'CP' and resid 502 through 503 Processing sheet with id=114, first strand: chain 'CR' and resid 702 through 703 Processing sheet with id=115, first strand: chain 'CS' and resid 2 through 3 Processing sheet with id=116, first strand: chain 'CT' and resid 102 through 103 Processing sheet with id=117, first strand: chain 'CV' and resid 302 through 303 Processing sheet with id=118, first strand: chain 'CW' and resid 402 through 403 Processing sheet with id=119, first strand: chain 'CX' and resid 502 through 503 Processing sheet with id=120, first strand: chain 'CZ' and resid 702 through 703 Processing sheet with id=121, first strand: chain 'C0' and resid 2 through 3 Processing sheet with id=122, first strand: chain 'C1' and resid 102 through 103 Processing sheet with id=123, first strand: chain 'C3' and resid 302 through 303 Processing sheet with id=124, first strand: chain 'C4' and resid 402 through 403 Processing sheet with id=125, first strand: chain 'C5' and resid 502 through 503 Processing sheet with id=126, first strand: chain 'C7' and resid 702 through 703 Processing sheet with id=127, first strand: chain 'C8' and resid 2 through 3 Processing sheet with id=128, first strand: chain 'C9' and resid 102 through 103 Processing sheet with id=129, first strand: chain 'DB' and resid 302 through 303 Processing sheet with id=130, first strand: chain 'DC' and resid 402 through 403 Processing sheet with id=131, first strand: chain 'DD' and resid 502 through 503 Processing sheet with id=132, first strand: chain 'DF' and resid 702 through 703 Processing sheet with id=133, first strand: chain 'DG' and resid 2 through 3 Processing sheet with id=134, first strand: chain 'DH' and resid 102 through 103 Processing sheet with id=135, first strand: chain 'DJ' and resid 302 through 303 Processing sheet with id=136, first strand: chain 'DK' and resid 402 through 403 Processing sheet with id=137, first strand: chain 'DL' and resid 502 through 503 Processing sheet with id=138, first strand: chain 'DN' and resid 702 through 703 Processing sheet with id=139, first strand: chain 'DO' and resid 2 through 3 Processing sheet with id=140, first strand: chain 'DP' and resid 102 through 103 Processing sheet with id=141, first strand: chain 'DR' and resid 302 through 303 Processing sheet with id=142, first strand: chain 'DS' and resid 402 through 403 Processing sheet with id=143, first strand: chain 'DT' and resid 502 through 503 Processing sheet with id=144, first strand: chain 'DV' and resid 702 through 703 Processing sheet with id=145, first strand: chain 'DW' and resid 2 through 3 Processing sheet with id=146, first strand: chain 'DX' and resid 102 through 103 Processing sheet with id=147, first strand: chain 'DZ' and resid 302 through 303 Processing sheet with id=148, first strand: chain 'D0' and resid 402 through 403 Processing sheet with id=149, first strand: chain 'D1' and resid 502 through 503 Processing sheet with id=150, first strand: chain 'D3' and resid 702 through 703 Processing sheet with id=151, first strand: chain 'D4' and resid 2 through 3 Processing sheet with id=152, first strand: chain 'D5' and resid 102 through 103 Processing sheet with id=153, first strand: chain 'D7' and resid 302 through 303 Processing sheet with id=154, first strand: chain 'D8' and resid 402 through 403 Processing sheet with id=155, first strand: chain 'D9' and resid 502 through 503 Processing sheet with id=156, first strand: chain 'EB' and resid 702 through 703 Processing sheet with id=157, first strand: chain 'EC' and resid 2 through 3 Processing sheet with id=158, first strand: chain 'ED' and resid 102 through 103 Processing sheet with id=159, first strand: chain 'EF' and resid 302 through 303 Processing sheet with id=160, first strand: chain 'EG' and resid 402 through 403 Processing sheet with id=161, first strand: chain 'EH' and resid 502 through 503 Processing sheet with id=162, first strand: chain 'EJ' and resid 702 through 703 Processing sheet with id=163, first strand: chain 'EK' and resid 2 through 3 Processing sheet with id=164, first strand: chain 'EL' and resid 102 through 103 Processing sheet with id=165, first strand: chain 'EN' and resid 302 through 303 Processing sheet with id=166, first strand: chain 'EO' and resid 402 through 403 Processing sheet with id=167, first strand: chain 'EP' and resid 502 through 503 Processing sheet with id=168, first strand: chain 'ER' and resid 702 through 703 Processing sheet with id=169, first strand: chain 'ES' and resid 2 through 3 Processing sheet with id=170, first strand: chain 'ET' and resid 102 through 103 Processing sheet with id=171, first strand: chain 'EV' and resid 302 through 303 Processing sheet with id=172, first strand: chain 'EW' and resid 402 through 403 Processing sheet with id=173, first strand: chain 'EX' and resid 502 through 503 Processing sheet with id=174, first strand: chain 'EZ' and resid 702 through 703 Processing sheet with id=175, first strand: chain 'E0' and resid 2 through 3 Processing sheet with id=176, first strand: chain 'E1' and resid 102 through 103 Processing sheet with id=177, first strand: chain 'E3' and resid 302 through 303 Processing sheet with id=178, first strand: chain 'E4' and resid 402 through 403 Processing sheet with id=179, first strand: chain 'E5' and resid 502 through 503 Processing sheet with id=180, first strand: chain 'E7' and resid 702 through 703 Processing sheet with id=181, first strand: chain 'E8' and resid 2 through 3 Processing sheet with id=182, first strand: chain 'E9' and resid 102 through 103 Processing sheet with id=183, first strand: chain 'FB' and resid 302 through 303 Processing sheet with id=184, first strand: chain 'FC' and resid 402 through 403 Processing sheet with id=185, first strand: chain 'FD' and resid 502 through 503 Processing sheet with id=186, first strand: chain 'FF' and resid 702 through 703 Processing sheet with id=187, first strand: chain 'FG' and resid 2 through 3 Processing sheet with id=188, first strand: chain 'FH' and resid 102 through 103 Processing sheet with id=189, first strand: chain 'FJ' and resid 302 through 303 Processing sheet with id=190, first strand: chain 'FK' and resid 402 through 403 Processing sheet with id=191, first strand: chain 'FL' and resid 502 through 503 Processing sheet with id=192, first strand: chain 'FN' and resid 702 through 703 Processing sheet with id=193, first strand: chain 'FO' and resid 2 through 3 Processing sheet with id=194, first strand: chain 'FP' and resid 102 through 103 Processing sheet with id=195, first strand: chain 'FR' and resid 302 through 303 Processing sheet with id=196, first strand: chain 'FS' and resid 402 through 403 Processing sheet with id=197, first strand: chain 'FT' and resid 502 through 503 Processing sheet with id=198, first strand: chain 'FV' and resid 702 through 703 Processing sheet with id=199, first strand: chain 'FW' and resid 2 through 3 Processing sheet with id=200, first strand: chain 'FX' and resid 102 through 103 Processing sheet with id=201, first strand: chain 'FZ' and resid 302 through 303 Processing sheet with id=202, first strand: chain 'F0' and resid 402 through 403 Processing sheet with id=203, first strand: chain 'F1' and resid 502 through 503 Processing sheet with id=204, first strand: chain 'F3' and resid 702 through 703 Processing sheet with id=205, first strand: chain 'F4' and resid 2 through 3 Processing sheet with id=206, first strand: chain 'F5' and resid 102 through 103 Processing sheet with id=207, first strand: chain 'F7' and resid 302 through 303 Processing sheet with id=208, first strand: chain 'F8' and resid 402 through 403 Processing sheet with id=209, first strand: chain 'F9' and resid 502 through 503 Processing sheet with id=210, first strand: chain 'GB' and resid 702 through 703 Processing sheet with id=211, first strand: chain 'GC' and resid 2 through 3 Processing sheet with id=212, first strand: chain 'GD' and resid 102 through 103 Processing sheet with id=213, first strand: chain 'GF' and resid 302 through 303 Processing sheet with id=214, first strand: chain 'GG' and resid 402 through 403 Processing sheet with id=215, first strand: chain 'GH' and resid 502 through 503 Processing sheet with id=216, first strand: chain 'GJ' and resid 702 through 703 Processing sheet with id=217, first strand: chain 'GK' and resid 2 through 3 Processing sheet with id=218, first strand: chain 'GL' and resid 102 through 103 Processing sheet with id=219, first strand: chain 'GN' and resid 302 through 303 Processing sheet with id=220, first strand: chain 'GO' and resid 402 through 403 Processing sheet with id=221, first strand: chain 'GP' and resid 502 through 503 Processing sheet with id=222, first strand: chain 'GR' and resid 702 through 703 Processing sheet with id=223, first strand: chain 'GS' and resid 2 through 3 Processing sheet with id=224, first strand: chain 'GT' and resid 102 through 103 Processing sheet with id=225, first strand: chain 'GV' and resid 302 through 303 Processing sheet with id=226, first strand: chain 'GW' and resid 402 through 403 Processing sheet with id=227, first strand: chain 'GX' and resid 502 through 503 Processing sheet with id=228, first strand: chain 'GZ' and resid 702 through 703 Processing sheet with id=229, first strand: chain 'G0' and resid 2 through 3 Processing sheet with id=230, first strand: chain 'G1' and resid 102 through 103 Processing sheet with id=231, first strand: chain 'G3' and resid 302 through 303 Processing sheet with id=232, first strand: chain 'G4' and resid 402 through 403 Processing sheet with id=233, first strand: chain 'G5' and resid 502 through 503 Processing sheet with id=234, first strand: chain 'G7' and resid 702 through 703 Processing sheet with id=235, first strand: chain 'G8' and resid 2 through 3 Processing sheet with id=236, first strand: chain 'G9' and resid 102 through 103 Processing sheet with id=237, first strand: chain 'HB' and resid 302 through 303 Processing sheet with id=238, first strand: chain 'HC' and resid 402 through 403 Processing sheet with id=239, first strand: chain 'HD' and resid 502 through 503 Processing sheet with id=240, first strand: chain 'HF' and resid 702 through 703 Processing sheet with id=241, first strand: chain 'HG' and resid 2 through 3 Processing sheet with id=242, first strand: chain 'HH' and resid 102 through 103 Processing sheet with id=243, first strand: chain 'HJ' and resid 302 through 303 Processing sheet with id=244, first strand: chain 'HK' and resid 402 through 403 Processing sheet with id=245, first strand: chain 'HL' and resid 502 through 503 Processing sheet with id=246, first strand: chain 'HN' and resid 702 through 703 Processing sheet with id=247, first strand: chain 'HO' and resid 2 through 3 Processing sheet with id=248, first strand: chain 'HP' and resid 102 through 103 Processing sheet with id=249, first strand: chain 'HR' and resid 302 through 303 Processing sheet with id=250, first strand: chain 'HS' and resid 402 through 403 Processing sheet with id=251, first strand: chain 'HT' and resid 502 through 503 Processing sheet with id=252, first strand: chain 'HV' and resid 702 through 703 Processing sheet with id=253, first strand: chain 'HW' and resid 2 through 3 Processing sheet with id=254, first strand: chain 'HX' and resid 102 through 103 Processing sheet with id=255, first strand: chain 'HZ' and resid 302 through 303 Processing sheet with id=256, first strand: chain 'H0' and resid 402 through 403 Processing sheet with id=257, first strand: chain 'H1' and resid 502 through 503 Processing sheet with id=258, first strand: chain 'H3' and resid 702 through 703 Processing sheet with id=259, first strand: chain 'H4' and resid 2 through 3 Processing sheet with id=260, first strand: chain 'H5' and resid 102 through 103 Processing sheet with id=261, first strand: chain 'H7' and resid 302 through 303 Processing sheet with id=262, first strand: chain 'H8' and resid 402 through 403 Processing sheet with id=263, first strand: chain 'H9' and resid 502 through 503 Processing sheet with id=264, first strand: chain 'IB' and resid 702 through 703 Processing sheet with id=265, first strand: chain 'IC' and resid 2 through 3 Processing sheet with id=266, first strand: chain 'ID' and resid 102 through 103 Processing sheet with id=267, first strand: chain 'IF' and resid 302 through 303 Processing sheet with id=268, first strand: chain 'IG' and resid 402 through 403 Processing sheet with id=269, first strand: chain 'IH' and resid 502 through 503 Processing sheet with id=270, first strand: chain 'IJ' and resid 702 through 703 Processing sheet with id=271, first strand: chain 'IK' and resid 2 through 3 Processing sheet with id=272, first strand: chain 'IL' and resid 102 through 103 Processing sheet with id=273, first strand: chain 'IN' and resid 302 through 303 Processing sheet with id=274, first strand: chain 'IO' and resid 402 through 403 Processing sheet with id=275, first strand: chain 'IP' and resid 502 through 503 Processing sheet with id=276, first strand: chain 'IR' and resid 702 through 703 Processing sheet with id=277, first strand: chain 'IS' and resid 2 through 3 Processing sheet with id=278, first strand: chain 'IT' and resid 102 through 103 Processing sheet with id=279, first strand: chain 'IV' and resid 302 through 303 Processing sheet with id=280, first strand: chain 'IW' and resid 402 through 403 Processing sheet with id=281, first strand: chain 'IX' and resid 502 through 503 Processing sheet with id=282, first strand: chain 'IZ' and resid 702 through 703 Processing sheet with id=283, first strand: chain 'I0' and resid 2 through 3 Processing sheet with id=284, first strand: chain 'I1' and resid 102 through 103 Processing sheet with id=285, first strand: chain 'I3' and resid 302 through 303 Processing sheet with id=286, first strand: chain 'I4' and resid 402 through 403 Processing sheet with id=287, first strand: chain 'I5' and resid 502 through 503 Processing sheet with id=288, first strand: chain 'I7' and resid 702 through 703 Processing sheet with id=289, first strand: chain 'I8' and resid 2 through 3 Processing sheet with id=290, first strand: chain 'I9' and resid 102 through 103 Processing sheet with id=291, first strand: chain 'JB' and resid 302 through 303 Processing sheet with id=292, first strand: chain 'JC' and resid 402 through 403 Processing sheet with id=293, first strand: chain 'JD' and resid 502 through 503 Processing sheet with id=294, first strand: chain 'JF' and resid 702 through 703 Processing sheet with id=295, first strand: chain 'JG' and resid 2 through 3 Processing sheet with id=296, first strand: chain 'JH' and resid 102 through 103 Processing sheet with id=297, first strand: chain 'JJ' and resid 302 through 303 Processing sheet with id=298, first strand: chain 'JK' and resid 402 through 403 Processing sheet with id=299, first strand: chain 'JL' and resid 502 through 503 Processing sheet with id=300, first strand: chain 'JN' and resid 702 through 703 Processing sheet with id=301, first strand: chain 'JO' and resid 2 through 3 Processing sheet with id=302, first strand: chain 'JP' and resid 102 through 103 Processing sheet with id=303, first strand: chain 'JR' and resid 302 through 303 Processing sheet with id=304, first strand: chain 'JS' and resid 402 through 403 Processing sheet with id=305, first strand: chain 'JT' and resid 502 through 503 Processing sheet with id=306, first strand: chain 'JV' and resid 702 through 703 Processing sheet with id=307, first strand: chain 'JW' and resid 2 through 3 Processing sheet with id=308, first strand: chain 'JX' and resid 102 through 103 Processing sheet with id=309, first strand: chain 'JZ' and resid 302 through 303 Processing sheet with id=310, first strand: chain 'J0' and resid 402 through 403 Processing sheet with id=311, first strand: chain 'J1' and resid 502 through 503 Processing sheet with id=312, first strand: chain 'J3' and resid 702 through 703 Processing sheet with id=313, first strand: chain 'J4' and resid 2 through 3 Processing sheet with id=314, first strand: chain 'J5' and resid 102 through 103 Processing sheet with id=315, first strand: chain 'J7' and resid 302 through 303 Processing sheet with id=316, first strand: chain 'J8' and resid 402 through 403 Processing sheet with id=317, first strand: chain 'J9' and resid 502 through 503 Processing sheet with id=318, first strand: chain 'KB' and resid 702 through 703 Processing sheet with id=319, first strand: chain 'KC' and resid 2 through 3 Processing sheet with id=320, first strand: chain 'KD' and resid 102 through 103 Processing sheet with id=321, first strand: chain 'KF' and resid 302 through 303 Processing sheet with id=322, first strand: chain 'KG' and resid 402 through 403 Processing sheet with id=323, first strand: chain 'KH' and resid 502 through 503 Processing sheet with id=324, first strand: chain 'KJ' and resid 702 through 703 Processing sheet with id=325, first strand: chain 'KK' and resid 2 through 3 Processing sheet with id=326, first strand: chain 'KL' and resid 102 through 103 Processing sheet with id=327, first strand: chain 'KN' and resid 302 through 303 Processing sheet with id=328, first strand: chain 'KO' and resid 402 through 403 Processing sheet with id=329, first strand: chain 'KP' and resid 502 through 503 Processing sheet with id=330, first strand: chain 'KR' and resid 702 through 703 Processing sheet with id=331, first strand: chain 'KS' and resid 2 through 3 Processing sheet with id=332, first strand: chain 'KT' and resid 102 through 103 Processing sheet with id=333, first strand: chain 'KV' and resid 302 through 303 Processing sheet with id=334, first strand: chain 'KW' and resid 402 through 403 Processing sheet with id=335, first strand: chain 'KX' and resid 502 through 503 Processing sheet with id=336, first strand: chain 'KZ' and resid 702 through 703 Processing sheet with id=337, first strand: chain 'K0' and resid 2 through 3 Processing sheet with id=338, first strand: chain 'K1' and resid 102 through 103 Processing sheet with id=339, first strand: chain 'K3' and resid 302 through 303 Processing sheet with id=340, first strand: chain 'K4' and resid 402 through 403 Processing sheet with id=341, first strand: chain 'K5' and resid 502 through 503 Processing sheet with id=342, first strand: chain 'K7' and resid 702 through 703 Processing sheet with id=343, first strand: chain 'K8' and resid 2 through 3 Processing sheet with id=344, first strand: chain 'K9' and resid 102 through 103 Processing sheet with id=345, first strand: chain 'LB' and resid 302 through 303 Processing sheet with id=346, first strand: chain 'LC' and resid 402 through 403 Processing sheet with id=347, first strand: chain 'LD' and resid 502 through 503 Processing sheet with id=348, first strand: chain 'LF' and resid 702 through 703 Processing sheet with id=349, first strand: chain 'LG' and resid 2 through 3 Processing sheet with id=350, first strand: chain 'LH' and resid 102 through 103 Processing sheet with id=351, first strand: chain 'LJ' and resid 302 through 303 Processing sheet with id=352, first strand: chain 'LK' and resid 402 through 403 Processing sheet with id=353, first strand: chain 'LL' and resid 502 through 503 Processing sheet with id=354, first strand: chain 'LN' and resid 702 through 703 Processing sheet with id=355, first strand: chain 'LO' and resid 2 through 3 Processing sheet with id=356, first strand: chain 'LP' and resid 102 through 103 Processing sheet with id=357, first strand: chain 'LR' and resid 302 through 303 Processing sheet with id=358, first strand: chain 'LS' and resid 402 through 403 Processing sheet with id=359, first strand: chain 'LT' and resid 502 through 503 Processing sheet with id=360, first strand: chain 'LV' and resid 702 through 703 Processing sheet with id=361, first strand: chain 'LW' and resid 2 through 3 Processing sheet with id=362, first strand: chain 'LX' and resid 102 through 103 Processing sheet with id=363, first strand: chain 'LZ' and resid 302 through 303 Processing sheet with id=364, first strand: chain 'L0' and resid 402 through 403 Processing sheet with id=365, first strand: chain 'L1' and resid 502 through 503 Processing sheet with id=366, first strand: chain 'L3' and resid 702 through 703 Processing sheet with id=367, first strand: chain 'L4' and resid 2 through 3 Processing sheet with id=368, first strand: chain 'L5' and resid 102 through 103 Processing sheet with id=369, first strand: chain 'L7' and resid 302 through 303 Processing sheet with id=370, first strand: chain 'L8' and resid 402 through 403 Processing sheet with id=371, first strand: chain 'L9' and resid 502 through 503 Processing sheet with id=372, first strand: chain 'MB' and resid 702 through 703 Processing sheet with id=373, first strand: chain 'MC' and resid 2 through 3 Processing sheet with id=374, first strand: chain 'MD' and resid 102 through 103 Processing sheet with id=375, first strand: chain 'MF' and resid 302 through 303 Processing sheet with id=376, first strand: chain 'MG' and resid 402 through 403 Processing sheet with id=377, first strand: chain 'MH' and resid 502 through 503 Processing sheet with id=378, first strand: chain 'MJ' and resid 702 through 703 Processing sheet with id=379, first strand: chain 'MK' and resid 2 through 3 Processing sheet with id=380, first strand: chain 'ML' and resid 102 through 103 Processing sheet with id=381, first strand: chain 'MN' and resid 302 through 303 Processing sheet with id=382, first strand: chain 'MO' and resid 402 through 403 Processing sheet with id=383, first strand: chain 'MP' and resid 502 through 503 Processing sheet with id=384, first strand: chain 'MR' and resid 702 through 703 Processing sheet with id=385, first strand: chain 'MS' and resid 2 through 3 Processing sheet with id=386, first strand: chain 'MT' and resid 102 through 103 Processing sheet with id=387, first strand: chain 'MV' and resid 302 through 303 Processing sheet with id=388, first strand: chain 'MW' and resid 402 through 403 Processing sheet with id=389, first strand: chain 'MX' and resid 502 through 503 Processing sheet with id=390, first strand: chain 'MZ' and resid 702 through 703 Processing sheet with id=391, first strand: chain 'M0' and resid 2 through 3 Processing sheet with id=392, first strand: chain 'M1' and resid 102 through 103 Processing sheet with id=393, first strand: chain 'M3' and resid 302 through 303 Processing sheet with id=394, first strand: chain 'M4' and resid 402 through 403 Processing sheet with id=395, first strand: chain 'M5' and resid 502 through 503 Processing sheet with id=396, first strand: chain 'M7' and resid 702 through 703 Processing sheet with id=397, first strand: chain 'M8' and resid 2 through 3 Processing sheet with id=398, first strand: chain 'M9' and resid 102 through 103 Processing sheet with id=399, first strand: chain 'NB' and resid 302 through 303 Processing sheet with id=400, first strand: chain 'NC' and resid 402 through 403 Processing sheet with id=401, first strand: chain 'ND' and resid 502 through 503 Processing sheet with id=402, first strand: chain 'NF' and resid 702 through 703 Processing sheet with id=403, first strand: chain 'NG' and resid 2 through 3 Processing sheet with id=404, first strand: chain 'NH' and resid 102 through 103 Processing sheet with id=405, first strand: chain 'NJ' and resid 302 through 303 Processing sheet with id=406, first strand: chain 'NK' and resid 402 through 403 Processing sheet with id=407, first strand: chain 'NL' and resid 502 through 503 Processing sheet with id=408, first strand: chain 'NN' and resid 702 through 703 Processing sheet with id=409, first strand: chain 'NO' and resid 2 through 3 Processing sheet with id=410, first strand: chain 'NP' and resid 102 through 103 Processing sheet with id=411, first strand: chain 'NR' and resid 302 through 303 Processing sheet with id=412, first strand: chain 'NS' and resid 402 through 403 Processing sheet with id=413, first strand: chain 'NT' and resid 502 through 503 Processing sheet with id=414, first strand: chain 'NV' and resid 702 through 703 Processing sheet with id=415, first strand: chain 'NW' and resid 2 through 3 Processing sheet with id=416, first strand: chain 'NX' and resid 102 through 103 Processing sheet with id=417, first strand: chain 'NZ' and resid 302 through 303 Processing sheet with id=418, first strand: chain 'N0' and resid 402 through 403 Processing sheet with id=419, first strand: chain 'N1' and resid 502 through 503 Processing sheet with id=420, first strand: chain 'N3' and resid 702 through 703 Processing sheet with id=421, first strand: chain 'N4' and resid 2 through 3 Processing sheet with id=422, first strand: chain 'N5' and resid 102 through 103 Processing sheet with id=423, first strand: chain 'N7' and resid 302 through 303 Processing sheet with id=424, first strand: chain 'N8' and resid 402 through 403 Processing sheet with id=425, first strand: chain 'N9' and resid 502 through 503 Processing sheet with id=426, first strand: chain 'OB' and resid 702 through 703 Processing sheet with id=427, first strand: chain 'OC' and resid 2 through 3 Processing sheet with id=428, first strand: chain 'OD' and resid 102 through 103 Processing sheet with id=429, first strand: chain 'OF' and resid 302 through 303 Processing sheet with id=430, first strand: chain 'OG' and resid 402 through 403 Processing sheet with id=431, first strand: chain 'OH' and resid 502 through 503 Processing sheet with id=432, first strand: chain 'OJ' and resid 702 through 703 Processing sheet with id=433, first strand: chain 'OK' and resid 2 through 3 Processing sheet with id=434, first strand: chain 'OL' and resid 102 through 103 Processing sheet with id=435, first strand: chain 'ON' and resid 302 through 303 Processing sheet with id=436, first strand: chain 'OO' and resid 402 through 403 Processing sheet with id=437, first strand: chain 'OP' and resid 502 through 503 Processing sheet with id=438, first strand: chain 'OR' and resid 702 through 703 Processing sheet with id=439, first strand: chain 'OS' and resid 2 through 3 Processing sheet with id=440, first strand: chain 'OT' and resid 102 through 103 Processing sheet with id=441, first strand: chain 'OV' and resid 302 through 303 Processing sheet with id=442, first strand: chain 'OW' and resid 402 through 403 Processing sheet with id=443, first strand: chain 'OX' and resid 502 through 503 Processing sheet with id=444, first strand: chain 'OZ' and resid 702 through 703 Processing sheet with id=445, first strand: chain 'O0' and resid 2 through 3 Processing sheet with id=446, first strand: chain 'O1' and resid 102 through 103 Processing sheet with id=447, first strand: chain 'O3' and resid 302 through 303 Processing sheet with id=448, first strand: chain 'O4' and resid 402 through 403 Processing sheet with id=449, first strand: chain 'O5' and resid 502 through 503 Processing sheet with id=450, first strand: chain 'O7' and resid 702 through 703 Processing sheet with id=451, first strand: chain 'O8' and resid 2 through 3 Processing sheet with id=452, first strand: chain 'O9' and resid 102 through 103 Processing sheet with id=453, first strand: chain 'PB' and resid 302 through 303 Processing sheet with id=454, first strand: chain 'PC' and resid 402 through 403 Processing sheet with id=455, first strand: chain 'PD' and resid 502 through 503 Processing sheet with id=456, first strand: chain 'PF' and resid 702 through 703 Processing sheet with id=457, first strand: chain 'PG' and resid 2 through 3 Processing sheet with id=458, first strand: chain 'PH' and resid 102 through 103 Processing sheet with id=459, first strand: chain 'PJ' and resid 302 through 303 Processing sheet with id=460, first strand: chain 'PK' and resid 402 through 403 Processing sheet with id=461, first strand: chain 'PL' and resid 502 through 503 Processing sheet with id=462, first strand: chain 'PN' and resid 702 through 703 Processing sheet with id=463, first strand: chain 'PO' and resid 2 through 3 Processing sheet with id=464, first strand: chain 'PP' and resid 102 through 103 Processing sheet with id=465, first strand: chain 'PR' and resid 302 through 303 Processing sheet with id=466, first strand: chain 'PS' and resid 402 through 403 Processing sheet with id=467, first strand: chain 'PT' and resid 502 through 503 Processing sheet with id=468, first strand: chain 'PV' and resid 702 through 703 Processing sheet with id=469, first strand: chain 'PW' and resid 2 through 3 Processing sheet with id=470, first strand: chain 'PX' and resid 102 through 103 Processing sheet with id=471, first strand: chain 'PZ' and resid 302 through 303 Processing sheet with id=472, first strand: chain 'P0' and resid 402 through 403 Processing sheet with id=473, first strand: chain 'P1' and resid 502 through 503 Processing sheet with id=474, first strand: chain 'P3' and resid 702 through 703 Processing sheet with id=475, first strand: chain 'P4' and resid 2 through 3 Processing sheet with id=476, first strand: chain 'P5' and resid 102 through 103 Processing sheet with id=477, first strand: chain 'P7' and resid 302 through 303 Processing sheet with id=478, first strand: chain 'P8' and resid 402 through 403 Processing sheet with id=479, first strand: chain 'P9' and resid 502 through 503 Processing sheet with id=480, first strand: chain 'QB' and resid 702 through 703 Processing sheet with id=481, first strand: chain 'QC' and resid 2 through 3 Processing sheet with id=482, first strand: chain 'QD' and resid 102 through 103 Processing sheet with id=483, first strand: chain 'QF' and resid 302 through 303 Processing sheet with id=484, first strand: chain 'QG' and resid 402 through 403 Processing sheet with id=485, first strand: chain 'QH' and resid 502 through 503 Processing sheet with id=486, first strand: chain 'QJ' and resid 702 through 703 Processing sheet with id=487, first strand: chain 'QK' and resid 2 through 3 Processing sheet with id=488, first strand: chain 'QL' and resid 102 through 103 Processing sheet with id=489, first strand: chain 'QN' and resid 302 through 303 Processing sheet with id=490, first strand: chain 'QO' and resid 402 through 403 Processing sheet with id=491, first strand: chain 'QP' and resid 502 through 503 Processing sheet with id=492, first strand: chain 'QR' and resid 702 through 703 Processing sheet with id=493, first strand: chain 'QS' and resid 2 through 3 Processing sheet with id=494, first strand: chain 'QT' and resid 102 through 103 Processing sheet with id=495, first strand: chain 'QV' and resid 302 through 303 Processing sheet with id=496, first strand: chain 'QW' and resid 402 through 403 Processing sheet with id=497, first strand: chain 'QX' and resid 502 through 503 Processing sheet with id=498, first strand: chain 'QZ' and resid 702 through 703 Processing sheet with id=499, first strand: chain 'Q0' and resid 2 through 3 Processing sheet with id=500, first strand: chain 'Q1' and resid 102 through 103 Processing sheet with id=501, first strand: chain 'Q3' and resid 302 through 303 Processing sheet with id=502, first strand: chain 'Q4' and resid 402 through 403 Processing sheet with id=503, first strand: chain 'Q5' and resid 502 through 503 Processing sheet with id=504, first strand: chain 'Q7' and resid 702 through 703 Processing sheet with id=505, first strand: chain 'Q8' and resid 2 through 3 Processing sheet with id=506, first strand: chain 'Q9' and resid 102 through 103 Processing sheet with id=507, first strand: chain 'RB' and resid 302 through 303 Processing sheet with id=508, first strand: chain 'RC' and resid 402 through 403 Processing sheet with id=509, first strand: chain 'RD' and resid 502 through 503 Processing sheet with id=510, first strand: chain 'RF' and resid 702 through 703 Processing sheet with id=511, first strand: chain 'RG' and resid 2 through 3 Processing sheet with id=512, first strand: chain 'RH' and resid 102 through 103 Processing sheet with id=513, first strand: chain 'RJ' and resid 302 through 303 Processing sheet with id=514, first strand: chain 'RK' and resid 402 through 403 Processing sheet with id=515, first strand: chain 'RL' and resid 502 through 503 Processing sheet with id=516, first strand: chain 'RN' and resid 702 through 703 Processing sheet with id=517, first strand: chain 'RO' and resid 2 through 3 Processing sheet with id=518, first strand: chain 'RP' and resid 102 through 103 Processing sheet with id=519, first strand: chain 'RR' and resid 302 through 303 Processing sheet with id=520, first strand: chain 'RS' and resid 402 through 403 Processing sheet with id=521, first strand: chain 'RT' and resid 502 through 503 Processing sheet with id=522, first strand: chain 'RV' and resid 702 through 703 Processing sheet with id=523, first strand: chain 'RW' and resid 2 through 3 Processing sheet with id=524, first strand: chain 'RX' and resid 102 through 103 Processing sheet with id=525, first strand: chain 'RZ' and resid 302 through 303 Processing sheet with id=526, first strand: chain 'R0' and resid 402 through 403 Processing sheet with id=527, first strand: chain 'R1' and resid 502 through 503 Processing sheet with id=528, first strand: chain 'R3' and resid 702 through 703 Processing sheet with id=529, first strand: chain 'R4' and resid 2 through 3 Processing sheet with id=530, first strand: chain 'R5' and resid 102 through 103 Processing sheet with id=531, first strand: chain 'R7' and resid 302 through 303 Processing sheet with id=532, first strand: chain 'R8' and resid 402 through 403 Processing sheet with id=533, first strand: chain 'R9' and resid 502 through 503 Processing sheet with id=534, first strand: chain 'SB' and resid 702 through 703 Processing sheet with id=535, first strand: chain 'SC' and resid 2 through 3 Processing sheet with id=536, first strand: chain 'SD' and resid 102 through 103 Processing sheet with id=537, first strand: chain 'SF' and resid 302 through 303 Processing sheet with id=538, first strand: chain 'SG' and resid 402 through 403 Processing sheet with id=539, first strand: chain 'SH' and resid 502 through 503 Processing sheet with id=540, first strand: chain 'SJ' and resid 702 through 703 Processing sheet with id=541, first strand: chain 'SK' and resid 2 through 3 Processing sheet with id=542, first strand: chain 'SL' and resid 102 through 103 Processing sheet with id=543, first strand: chain 'SN' and resid 302 through 303 Processing sheet with id=544, first strand: chain 'SO' and resid 402 through 403 Processing sheet with id=545, first strand: chain 'SP' and resid 502 through 503 Processing sheet with id=546, first strand: chain 'SR' and resid 702 through 703 Processing sheet with id=547, first strand: chain 'SS' and resid 2 through 3 Processing sheet with id=548, first strand: chain 'ST' and resid 102 through 103 Processing sheet with id=549, first strand: chain 'SV' and resid 302 through 303 Processing sheet with id=550, first strand: chain 'SW' and resid 402 through 403 Processing sheet with id=551, first strand: chain 'SX' and resid 502 through 503 Processing sheet with id=552, first strand: chain 'SZ' and resid 702 through 703 Processing sheet with id=553, first strand: chain 'S0' and resid 2 through 3 Processing sheet with id=554, first strand: chain 'S1' and resid 102 through 103 Processing sheet with id=555, first strand: chain 'S3' and resid 302 through 303 Processing sheet with id=556, first strand: chain 'S4' and resid 402 through 403 Processing sheet with id=557, first strand: chain 'S5' and resid 502 through 503 Processing sheet with id=558, first strand: chain 'S7' and resid 702 through 703 Processing sheet with id=559, first strand: chain 'S8' and resid 2 through 3 Processing sheet with id=560, first strand: chain 'S9' and resid 102 through 103 Processing sheet with id=561, first strand: chain 'TB' and resid 302 through 303 Processing sheet with id=562, first strand: chain 'TC' and resid 402 through 403 Processing sheet with id=563, first strand: chain 'TD' and resid 502 through 503 Processing sheet with id=564, first strand: chain 'TF' and resid 702 through 703 Processing sheet with id=565, first strand: chain 'TG' and resid 2 through 3 Processing sheet with id=566, first strand: chain 'TH' and resid 102 through 103 Processing sheet with id=567, first strand: chain 'TJ' and resid 302 through 303 Processing sheet with id=568, first strand: chain 'TK' and resid 402 through 403 Processing sheet with id=569, first strand: chain 'TL' and resid 502 through 503 Processing sheet with id=570, first strand: chain 'TN' and resid 702 through 703 Processing sheet with id=571, first strand: chain 'TO' and resid 2 through 3 Processing sheet with id=572, first strand: chain 'TP' and resid 102 through 103 Processing sheet with id=573, first strand: chain 'TR' and resid 302 through 303 Processing sheet with id=574, first strand: chain 'TS' and resid 402 through 403 Processing sheet with id=575, first strand: chain 'TT' and resid 502 through 503 Processing sheet with id=576, first strand: chain 'TV' and resid 702 through 703 Processing sheet with id=577, first strand: chain 'TW' and resid 2 through 3 Processing sheet with id=578, first strand: chain 'TX' and resid 102 through 103 Processing sheet with id=579, first strand: chain 'TZ' and resid 302 through 303 Processing sheet with id=580, first strand: chain 'T0' and resid 402 through 403 Processing sheet with id=581, first strand: chain 'T1' and resid 502 through 503 Processing sheet with id=582, first strand: chain 'T3' and resid 702 through 703 Processing sheet with id=583, first strand: chain 'T4' and resid 2 through 3 Processing sheet with id=584, first strand: chain 'T5' and resid 102 through 103 Processing sheet with id=585, first strand: chain 'T7' and resid 302 through 303 Processing sheet with id=586, first strand: chain 'T8' and resid 402 through 403 Processing sheet with id=587, first strand: chain 'T9' and resid 502 through 503 Processing sheet with id=588, first strand: chain 'UB' and resid 702 through 703 Processing sheet with id=589, first strand: chain 'UC' and resid 2 through 3 Processing sheet with id=590, first strand: chain 'UD' and resid 102 through 103 Processing sheet with id=591, first strand: chain 'UF' and resid 302 through 303 Processing sheet with id=592, first strand: chain 'UG' and resid 402 through 403 Processing sheet with id=593, first strand: chain 'UH' and resid 502 through 503 Processing sheet with id=594, first strand: chain 'UJ' and resid 702 through 703 Processing sheet with id=595, first strand: chain 'UK' and resid 2 through 3 Processing sheet with id=596, first strand: chain 'UL' and resid 102 through 103 Processing sheet with id=597, first strand: chain 'UN' and resid 302 through 303 Processing sheet with id=598, first strand: chain 'UO' and resid 402 through 403 Processing sheet with id=599, first strand: chain 'UP' and resid 502 through 503 Processing sheet with id=600, first strand: chain 'UR' and resid 702 through 703 2000 hydrogen bonds defined for protein. 3600 hydrogen bond angles 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: 70.09 Time building geometry restraints manager: 22.42 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: 11062 1.33 - 1.46: 27971 1.46 - 1.58: 22567 1.58 - 1.71: 0 1.71 - 1.83: 1600 Bond restraints: 63200 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 63195 not shown) Histogram of bond angle deviations from ideal: 0.00 - 1.03: 66052 1.03 - 2.07: 11075 2.07 - 3.10: 5578 3.10 - 4.14: 1295 4.14 - 5.17: 800 Bond angle restraints: 84800 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 84795 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 6.45: 19641 6.45 - 12.90: 6159 12.90 - 19.34: 2900 19.34 - 25.79: 1300 25.79 - 32.24: 400 Dihedral angle restraints: 30400 sinusoidal: 14400 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 30397 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.027: 2721 0.027 - 0.053: 2136 0.053 - 0.080: 1757 0.080 - 0.107: 919 0.107 - 0.133: 467 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 LYSIA 605 " pdb=" N LYSIA 605 " pdb=" C LYSIA 605 " pdb=" CB LYSIA 605 " both_signs ideal model delta sigma weight residual False 2.51 2.38 0.13 2.00e-01 2.50e+01 4.41e-01 ... (remaining 7997 not shown) Planarity restraints: 8000 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 7997 not shown) Histogram of nonbonded interaction distances: 2.25 - 2.78: 15677 2.78 - 3.31: 41809 3.31 - 3.84: 103714 3.84 - 4.37: 122735 4.37 - 4.90: 207677 Nonbonded interactions: 491612 Sorted by model distance: nonbonded pdb=" O THRJ2 608 " pdb=" OG1 THRJ2 608 " model vdw 2.247 3.040 nonbonded pdb=" O THRBM 608 " pdb=" OG1 THRBM 608 " model vdw 2.247 3.040 nonbonded pdb=" O THR W 608 " pdb=" OG1 THR W 608 " model vdw 2.247 3.040 nonbonded pdb=" O THRMQ 608 " pdb=" OG1 THRMQ 608 " model vdw 2.247 3.040 nonbonded pdb=" O THR c 608 " pdb=" OG1 THR c 608 " model vdw 2.247 3.040 ... (remaining 491607 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model Time spend for trying shortcut: 0.00 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: 4.190 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: 1.850 Check model and map are aligned: 0.370 Set scattering table: 0.440 Process input model: 218.170 Find NCS groups from input model: 17.720 Set up NCS constraints: 11.770 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: 0.020 Load rotamer database and sin/cos tables:11.030 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 265.610 ------------------------------------------------------------------------------- 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 63200 Z= 0.637 Angle : 1.118 5.173 84800 Z= 0.573 Chirality : 0.057 0.133 8000 Planarity : 0.005 0.012 7200 Dihedral : 9.676 32.241 16000 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 TYRRJ 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 : 4.716 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: 0.6636 (m) cc_final: 0.6360 (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: 0.6433 (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: 0.6667 (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: 0.6253 (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: 0.8605 (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: 0.8455 (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: 0.8476 (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: 1.5495 time to fit residues: 2517.7975 Evaluate side-chains 1059 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 1059 time to evaluate : 5.449 ------------------------------------------------------------------------------- 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: 8.9990 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: 0.8323 moved from start: 0.2357 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.052 0.243 63200 Z= 2.826 Angle : 2.755 26.466 84800 Z= 1.299 Chirality : 0.200 0.625 8000 Planarity : 0.014 0.045 7200 Dihedral : 11.353 37.834 8000 Min Nonbonded Distance : 1.729 Molprobity Statistics. All-atom Clashscore : 7.67 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Rotamer: Outliers : 3.75 % Allowed : 9.81 % Favored : 86.44 % Cbeta Deviations : 0.69 % 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: 1.23 (0.12), residues: 1600 helix: None (None), residues: 0 sheet: None (None), residues: 0 loop : 0.95 (0.09), residues: 1600 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.051 0.011 TYR a 403 *********************** 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 1005 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 180 poor density : 825 time to evaluate : 6.982 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: E 402 CYS cc_start: 0.7026 (m) cc_final: 0.6543 (m) REVERT: F 502 CYS cc_start: 0.7062 (m) cc_final: 0.6680 (m) REVERT: M 402 CYS cc_start: 0.7099 (m) cc_final: 0.6554 (m) REVERT: U 405 LYS cc_start: 0.8954 (mtmt) cc_final: 0.8744 (mtpt) REVERT: e 5 LYS cc_start: 0.9010 (OUTLIER) cc_final: 0.8701 (mttm) REVERT: q 402 CYS cc_start: 0.6943 (m) cc_final: 0.6440 (m) REVERT: AF 302 CYS cc_start: 0.6800 (m) cc_final: 0.6448 (m) REVERT: A4 402 CYS cc_start: 0.7298 (m) cc_final: 0.6923 (m) REVERT: BK 402 CYS cc_start: 0.6973 (m) cc_final: 0.6618 (m) REVERT: BN 705 LYS cc_start: 0.8770 (OUTLIER) cc_final: 0.8244 (mtpt) REVERT: BY 202 CYS cc_start: 0.6223 (m) cc_final: 0.5681 (m) REVERT: B9 502 CYS cc_start: 0.6838 (m) cc_final: 0.6461 (m) REVERT: CM 202 CYS cc_start: 0.7034 (m) cc_final: 0.6611 (m) REVERT: C1 105 LYS cc_start: 0.9010 (OUTLIER) cc_final: 0.8788 (mttt) REVERT: C3 302 CYS cc_start: 0.6967 (m) cc_final: 0.6628 (m) REVERT: DR 302 CYS cc_start: 0.6824 (m) cc_final: 0.6326 (m) REVERT: D0 402 CYS cc_start: 0.7133 (m) cc_final: 0.6627 (m) REVERT: D9 502 CYS cc_start: 0.7062 (m) cc_final: 0.6682 (m) REVERT: EO 405 LYS cc_start: 0.9070 (OUTLIER) cc_final: 0.8472 (mtmm) REVERT: EZ 705 LYS cc_start: 0.8754 (OUTLIER) cc_final: 0.8165 (mtpt) REVERT: E4 405 LYS cc_start: 0.9077 (OUTLIER) cc_final: 0.8613 (mtmm) REVERT: FY 202 CYS cc_start: 0.6976 (m) cc_final: 0.6444 (m) REVERT: F0 402 CYS cc_start: 0.7023 (m) cc_final: 0.6594 (m) REVERT: F8 402 CYS cc_start: 0.7227 (m) cc_final: 0.6831 (m) REVERT: GO 402 CYS cc_start: 0.6963 (m) cc_final: 0.6516 (m) REVERT: GW 402 CYS cc_start: 0.7122 (m) cc_final: 0.6812 (m) REVERT: HB 305 LYS cc_start: 0.9053 (OUTLIER) cc_final: 0.8785 (mppt) REVERT: HC 402 CYS cc_start: 0.7165 (m) cc_final: 0.6802 (m) REVERT: HC 405 LYS cc_start: 0.8970 (mtmt) cc_final: 0.8738 (mtmt) REVERT: HT 502 CYS cc_start: 0.7093 (m) cc_final: 0.6860 (m) REVERT: HX 105 LYS cc_start: 0.8936 (mttt) cc_final: 0.8720 (mttp) REVERT: H9 502 CYS cc_start: 0.7087 (m) cc_final: 0.6699 (m) REVERT: IJ 705 LYS cc_start: 0.8653 (OUTLIER) cc_final: 0.8028 (mtpt) REVERT: IM 202 CYS cc_start: 0.6510 (m) cc_final: 0.6165 (m) REVERT: IO 402 CYS cc_start: 0.7115 (m) cc_final: 0.6704 (m) REVERT: IO 405 LYS cc_start: 0.8981 (OUTLIER) cc_final: 0.8544 (mtmm) REVERT: IP 502 CYS cc_start: 0.7159 (m) cc_final: 0.6596 (m) REVERT: IR 705 LYS cc_start: 0.8810 (mtmt) cc_final: 0.8598 (mtmt) REVERT: IU 205 LYS cc_start: 0.8977 (mttp) cc_final: 0.8737 (mttt) REVERT: I4 402 CYS cc_start: 0.7096 (m) cc_final: 0.6680 (m) REVERT: JP 105 LYS cc_start: 0.9098 (OUTLIER) cc_final: 0.8640 (mtpp) REVERT: J6 202 CYS cc_start: 0.6878 (m) cc_final: 0.6358 (m) REVERT: KG 402 CYS cc_start: 0.7084 (m) cc_final: 0.6563 (m) REVERT: KO 402 CYS cc_start: 0.7025 (m) cc_final: 0.6610 (m) REVERT: KO 405 LYS cc_start: 0.8977 (mtmt) cc_final: 0.8751 (mttp) REVERT: K5 502 CYS cc_start: 0.7042 (m) cc_final: 0.6713 (m) REVERT: LK 402 CYS cc_start: 0.7126 (m) cc_final: 0.6671 (m) REVERT: LN 705 LYS cc_start: 0.8938 (OUTLIER) cc_final: 0.8319 (mtpt) REVERT: LV 705 LYS cc_start: 0.8786 (OUTLIER) cc_final: 0.8560 (mtpt) REVERT: L6 202 CYS cc_start: 0.6691 (m) cc_final: 0.6227 (m) REVERT: L8 402 CYS cc_start: 0.7139 (m) cc_final: 0.6838 (m) REVERT: MO 408 THR cc_start: 0.8702 (p) cc_final: 0.8369 (t) REVERT: M2 205 LYS cc_start: 0.8964 (mttp) cc_final: 0.8761 (mttt) REVERT: NC 402 CYS cc_start: 0.6744 (m) cc_final: 0.6236 (m) REVERT: NO 5 LYS cc_start: 0.9018 (OUTLIER) cc_final: 0.8749 (mtmt) REVERT: NZ 302 CYS cc_start: 0.6778 (m) cc_final: 0.6408 (m) REVERT: N0 402 CYS cc_start: 0.6999 (m) cc_final: 0.6553 (m) REVERT: N7 302 CYS cc_start: 0.6747 (m) cc_final: 0.6310 (m) REVERT: OF 302 CYS cc_start: 0.6843 (m) cc_final: 0.6468 (m) REVERT: OG 402 CYS cc_start: 0.7084 (m) cc_final: 0.6674 (m) REVERT: ON 305 LYS cc_start: 0.9005 (OUTLIER) cc_final: 0.8791 (mttt) REVERT: OO 405 LYS cc_start: 0.9022 (OUTLIER) cc_final: 0.8706 (mtmm) REVERT: OR 705 LYS cc_start: 0.9002 (OUTLIER) cc_final: 0.8505 (mtmp) REVERT: O4 405 LYS cc_start: 0.9080 (OUTLIER) cc_final: 0.8482 (mtmm) REVERT: O7 705 LYS cc_start: 0.8672 (OUTLIER) cc_final: 0.8111 (mtpt) REVERT: O9 105 LYS cc_start: 0.8924 (mttt) cc_final: 0.8700 (mttp) REVERT: PN 705 LYS cc_start: 0.8893 (mtmt) cc_final: 0.8607 (mtmt) REVERT: P0 402 CYS cc_start: 0.7065 (m) cc_final: 0.6701 (m) REVERT: P1 502 CYS cc_start: 0.6836 (m) cc_final: 0.6537 (m) REVERT: QM 202 CYS cc_start: 0.6992 (m) cc_final: 0.6575 (m) REVERT: Q3 305 LYS cc_start: 0.8970 (mttt) cc_final: 0.8713 (mttt) REVERT: RB 302 CYS cc_start: 0.6787 (m) cc_final: 0.6306 (m) REVERT: RB 305 LYS cc_start: 0.9035 (mttp) cc_final: 0.8808 (mttt) REVERT: RM 605 LYS cc_start: 0.8875 (mtmt) cc_final: 0.8628 (mtmt) REVERT: RT 502 CYS cc_start: 0.7020 (m) cc_final: 0.6717 (m) REVERT: SB 705 LYS cc_start: 0.9003 (OUTLIER) cc_final: 0.8501 (mtmp) REVERT: SD 105 LYS cc_start: 0.8891 (mttt) cc_final: 0.8620 (mttp) REVERT: SP 505 LYS cc_start: 0.8993 (OUTLIER) cc_final: 0.8761 (mtpt) REVERT: SR 705 LYS cc_start: 0.8906 (OUTLIER) cc_final: 0.8393 (mtpt) REVERT: S2 202 CYS cc_start: 0.6865 (m) cc_final: 0.6387 (m) REVERT: TI 202 CYS cc_start: 0.6424 (m) cc_final: 0.6146 (m) REVERT: TX 105 LYS cc_start: 0.8941 (OUTLIER) cc_final: 0.8540 (mttt) REVERT: T0 405 LYS cc_start: 0.9093 (mttp) cc_final: 0.8787 (mttt) REVERT: T1 505 LYS cc_start: 0.9052 (mttt) cc_final: 0.8836 (mttt) REVERT: T5 105 LYS cc_start: 0.8982 (OUTLIER) cc_final: 0.8568 (mttp) REVERT: UG 405 LYS cc_start: 0.8993 (mtmt) cc_final: 0.8780 (mtmp) REVERT: UK 5 LYS cc_start: 0.9105 (OUTLIER) cc_final: 0.8837 (mtmt) outliers start: 180 outliers final: 99 residues processed: 923 average time/residue: 1.6388 time to fit residues: 1948.7357 Evaluate side-chains 881 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 123 poor density : 758 time to evaluate : 4.841 ------------------------------------------------------------------------------- Set rotamer restraints ********************** 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 0 residue 205 LYS Chi-restraints excluded: chain 5 residue 708 THR Chi-restraints excluded: chain 7 residue 105 LYS Chi-restraints excluded: chain e residue 5 LYS Chi-restraints excluded: chain AH residue 505 LYS Chi-restraints excluded: chain AK residue 8 THR Chi-restraints excluded: chain AO residue 402 CYS Chi-restraints excluded: chain AR residue 708 THR Chi-restraints excluded: chain AS residue 8 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 A8 residue 8 THR Chi-restraints excluded: chain BF residue 705 LYS Chi-restraints excluded: chain BF residue 708 THR Chi-restraints excluded: chain BN residue 705 LYS Chi-restraints excluded: chain B0 residue 408 THR Chi-restraints excluded: chain B3 residue 705 LYS Chi-restraints excluded: chain CA residue 608 THR Chi-restraints excluded: chain CI residue 608 THR Chi-restraints excluded: chain CZ residue 708 THR Chi-restraints excluded: chain C1 residue 105 LYS Chi-restraints excluded: chain DH residue 105 LYS Chi-restraints excluded: chain DO residue 8 THR Chi-restraints excluded: chain DR residue 305 LYS Chi-restraints excluded: chain DZ residue 305 LYS Chi-restraints excluded: chain D7 residue 305 LYS 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 EO residue 405 LYS Chi-restraints excluded: chain ES residue 5 LYS Chi-restraints excluded: chain EZ residue 705 LYS Chi-restraints excluded: chain E4 residue 405 LYS Chi-restraints excluded: chain FA residue 205 LYS Chi-restraints excluded: chain FU residue 608 THR Chi-restraints excluded: chain GI residue 608 THR Chi-restraints excluded: chain G0 residue 5 LYS Chi-restraints excluded: chain HB residue 305 LYS Chi-restraints excluded: chain HE residue 608 THR Chi-restraints excluded: chain HG residue 8 THR Chi-restraints excluded: chain HL residue 502 CYS Chi-restraints excluded: chain HN residue 705 LYS Chi-restraints excluded: chain HV residue 705 LYS 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 H4 residue 8 THR 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 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 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 J5 residue 105 LYS Chi-restraints excluded: chain KF residue 305 LYS Chi-restraints excluded: chain KS residue 8 THR Chi-restraints excluded: chain K0 residue 8 THR Chi-restraints excluded: chain K4 residue 402 CYS Chi-restraints excluded: chain K6 residue 605 LYS 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 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 LO residue 8 THR Chi-restraints excluded: chain LV residue 705 LYS Chi-restraints excluded: chain L2 residue 608 THR Chi-restraints excluded: chain MR residue 708 THR Chi-restraints excluded: chain M6 residue 608 THR Chi-restraints excluded: chain NF residue 708 THR Chi-restraints excluded: chain NO residue 5 LYS Chi-restraints excluded: chain NU residue 608 THR Chi-restraints excluded: chain OK residue 8 THR Chi-restraints excluded: chain ON residue 305 LYS Chi-restraints excluded: chain OO residue 405 LYS 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 O1 residue 105 LYS Chi-restraints excluded: chain O4 residue 405 LYS Chi-restraints excluded: chain O7 residue 705 LYS Chi-restraints excluded: chain QB residue 708 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 SB residue 705 LYS Chi-restraints excluded: chain SC residue 8 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 SK residue 8 THR Chi-restraints excluded: chain SO residue 405 LYS Chi-restraints excluded: chain SP residue 505 LYS Chi-restraints excluded: chain SR residue 705 LYS Chi-restraints excluded: chain SY residue 608 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 T2 residue 608 THR Chi-restraints excluded: chain T4 residue 5 LYS Chi-restraints excluded: chain T5 residue 105 LYS Chi-restraints excluded: chain UI residue 608 THR Chi-restraints excluded: chain UK residue 5 LYS Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1 random chunks: chunk 0 optimal weight: 5.9990 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: 0.8319 moved from start: 0.2294 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.052 0.238 63200 Z= 2.795 Angle : 2.755 25.230 84800 Z= 1.300 Chirality : 0.202 0.641 8000 Planarity : 0.014 0.046 7200 Dihedral : 11.279 34.844 8000 Min Nonbonded Distance : 1.653 Molprobity Statistics. All-atom Clashscore : 6.66 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Rotamer: Outliers : 5.75 % Allowed : 10.44 % Favored : 83.81 % Cbeta Deviations : 0.84 % 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: 1.13 (0.12), residues: 1600 helix: None (None), residues: 0 sheet: None (None), residues: 0 loop : 0.87 (0.09), residues: 1600 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.049 0.011 TYR a 403 *********************** 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 1074 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 276 poor density : 798 time to evaluate : 4.883 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: 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: E 402 CYS cc_start: 0.6989 (m) cc_final: 0.6634 (m) REVERT: F 502 CYS cc_start: 0.7062 (m) cc_final: 0.6675 (m) REVERT: M 402 CYS cc_start: 0.7091 (m) cc_final: 0.6575 (m) REVERT: q 402 CYS cc_start: 0.6868 (m) cc_final: 0.6379 (m) REVERT: AD 105 LYS cc_start: 0.8940 (mttt) cc_final: 0.8650 (mtpp) REVERT: AF 302 CYS cc_start: 0.6661 (m) cc_final: 0.6359 (m) REVERT: AG 405 LYS cc_start: 0.8994 (mtmt) cc_final: 0.8759 (mtmt) REVERT: A3 305 LYS cc_start: 0.9018 (OUTLIER) cc_final: 0.8786 (mttt) REVERT: BA 205 LYS cc_start: 0.8839 (OUTLIER) cc_final: 0.8639 (mttt) REVERT: BK 402 CYS cc_start: 0.6991 (m) cc_final: 0.6607 (m) REVERT: BN 705 LYS cc_start: 0.8729 (OUTLIER) cc_final: 0.8198 (mtpt) REVERT: BY 202 CYS cc_start: 0.6280 (m) cc_final: 0.5758 (m) REVERT: B7 302 CYS cc_start: 0.7179 (m) cc_final: 0.6593 (m) REVERT: B9 502 CYS cc_start: 0.6748 (m) cc_final: 0.6343 (m) REVERT: CE 202 CYS cc_start: 0.6571 (m) cc_final: 0.6146 (m) REVERT: CM 202 CYS cc_start: 0.7023 (m) cc_final: 0.6587 (m) REVERT: C3 302 CYS cc_start: 0.6999 (m) cc_final: 0.6683 (m) REVERT: DQ 202 CYS cc_start: 0.7237 (m) cc_final: 0.6777 (m) REVERT: DR 302 CYS cc_start: 0.6845 (m) cc_final: 0.6441 (m) REVERT: D0 402 CYS cc_start: 0.7148 (m) cc_final: 0.6653 (m) REVERT: D9 502 CYS cc_start: 0.7062 (m) cc_final: 0.6704 (m) REVERT: EO 405 LYS cc_start: 0.9085 (OUTLIER) cc_final: 0.8500 (mtmm) REVERT: EZ 705 LYS cc_start: 0.8774 (OUTLIER) cc_final: 0.8184 (mtpt) REVERT: E4 405 LYS cc_start: 0.9107 (OUTLIER) cc_final: 0.8570 (mtmm) REVERT: FD 502 CYS cc_start: 0.6885 (m) cc_final: 0.6492 (m) REVERT: FY 202 CYS cc_start: 0.6975 (m) cc_final: 0.6497 (m) REVERT: F0 402 CYS cc_start: 0.7014 (m) cc_final: 0.6605 (m) REVERT: F6 202 CYS cc_start: 0.7100 (m) cc_final: 0.6626 (m) REVERT: F6 205 LYS cc_start: 0.9001 (OUTLIER) cc_final: 0.8762 (mttp) REVERT: F8 402 CYS cc_start: 0.7211 (m) cc_final: 0.6839 (m) REVERT: GG 405 LYS cc_start: 0.9125 (OUTLIER) cc_final: 0.8495 (mtmm) REVERT: GO 402 CYS cc_start: 0.7049 (m) cc_final: 0.6603 (m) REVERT: GW 402 CYS cc_start: 0.7101 (m) cc_final: 0.6811 (m) REVERT: GW 405 LYS cc_start: 0.8936 (mtmt) cc_final: 0.8731 (mttp) REVERT: G0 5 LYS cc_start: 0.9013 (OUTLIER) cc_final: 0.8599 (mttp) REVERT: HC 402 CYS cc_start: 0.7160 (m) cc_final: 0.6811 (m) REVERT: HC 405 LYS cc_start: 0.8978 (mtmt) cc_final: 0.8750 (mtmt) REVERT: HE 605 LYS cc_start: 0.8847 (OUTLIER) cc_final: 0.8481 (mtmt) REVERT: H9 502 CYS cc_start: 0.7113 (m) cc_final: 0.6737 (m) REVERT: IJ 705 LYS cc_start: 0.8690 (OUTLIER) cc_final: 0.8015 (mtpt) REVERT: IM 202 CYS cc_start: 0.6497 (m) cc_final: 0.6136 (m) REVERT: IO 402 CYS cc_start: 0.7073 (m) cc_final: 0.6680 (m) REVERT: IO 405 LYS cc_start: 0.8997 (OUTLIER) cc_final: 0.8574 (mtmm) REVERT: IP 502 CYS cc_start: 0.7142 (m) cc_final: 0.6547 (m) REVERT: IU 205 LYS cc_start: 0.8977 (OUTLIER) cc_final: 0.8758 (mttt) REVERT: I4 402 CYS cc_start: 0.7041 (m) cc_final: 0.6624 (m) REVERT: JQ 202 CYS cc_start: 0.6956 (m) cc_final: 0.6518 (m) REVERT: JZ 302 CYS cc_start: 0.6946 (m) cc_final: 0.6602 (m) REVERT: J3 708 THR cc_start: 0.8706 (p) cc_final: 0.8394 (p) REVERT: J6 202 CYS cc_start: 0.6874 (m) cc_final: 0.6366 (m) REVERT: KG 402 CYS cc_start: 0.7089 (m) cc_final: 0.6541 (m) REVERT: KO 405 LYS cc_start: 0.8991 (mtmt) cc_final: 0.8748 (mttp) REVERT: KQ 605 LYS cc_start: 0.8802 (OUTLIER) cc_final: 0.8140 (mtpt) REVERT: K5 502 CYS cc_start: 0.7041 (m) cc_final: 0.6684 (m) REVERT: LD 502 CYS cc_start: 0.7071 (m) cc_final: 0.6742 (m) REVERT: LN 705 LYS cc_start: 0.8908 (OUTLIER) cc_final: 0.8298 (mtpt) REVERT: LY 205 LYS cc_start: 0.9061 (OUTLIER) cc_final: 0.8434 (mtmm) REVERT: L6 202 CYS cc_start: 0.6623 (m) cc_final: 0.6191 (m) REVERT: L8 402 CYS cc_start: 0.7122 (m) cc_final: 0.6817 (m) REVERT: ME 202 CYS cc_start: 0.6454 (m) cc_final: 0.6127 (m) REVERT: MG 402 CYS cc_start: 0.7069 (m) cc_final: 0.6786 (m) REVERT: NC 402 CYS cc_start: 0.6673 (m) cc_final: 0.6176 (m) REVERT: NC 405 LYS cc_start: 0.9022 (OUTLIER) cc_final: 0.8559 (mtmt) REVERT: NI 202 CYS cc_start: 0.7063 (m) cc_final: 0.6535 (m) REVERT: NO 5 LYS cc_start: 0.9039 (OUTLIER) cc_final: 0.8741 (mtmt) REVERT: NR 302 CYS cc_start: 0.6846 (m) cc_final: 0.6528 (m) REVERT: NZ 302 CYS cc_start: 0.6783 (m) cc_final: 0.6443 (m) REVERT: N0 402 CYS cc_start: 0.6973 (m) cc_final: 0.6658 (m) REVERT: N7 302 CYS cc_start: 0.6772 (m) cc_final: 0.6341 (m) REVERT: N8 402 CYS cc_start: 0.7096 (m) cc_final: 0.6665 (m) REVERT: OF 302 CYS cc_start: 0.6701 (m) cc_final: 0.6378 (m) REVERT: OG 402 CYS cc_start: 0.7099 (m) cc_final: 0.6690 (m) REVERT: OO 405 LYS cc_start: 0.9056 (OUTLIER) cc_final: 0.8735 (mtmm) REVERT: OR 705 LYS cc_start: 0.9059 (OUTLIER) cc_final: 0.8542 (mtmp) REVERT: OU 202 CYS cc_start: 0.7012 (m) cc_final: 0.6411 (m) REVERT: O2 202 CYS cc_start: 0.6792 (m) cc_final: 0.6228 (m) REVERT: O4 405 LYS cc_start: 0.9100 (OUTLIER) cc_final: 0.8506 (mtmm) REVERT: O7 705 LYS cc_start: 0.8659 (OUTLIER) cc_final: 0.8087 (mtpt) REVERT: O8 5 LYS cc_start: 0.8899 (mttt) cc_final: 0.8694 (mttt) REVERT: PY 202 CYS cc_start: 0.6879 (m) cc_final: 0.6517 (m) REVERT: P0 402 CYS cc_start: 0.7053 (m) cc_final: 0.6677 (m) REVERT: P1 502 CYS cc_start: 0.6859 (m) cc_final: 0.6566 (m) REVERT: QE 202 CYS cc_start: 0.6969 (m) cc_final: 0.6460 (m) REVERT: QM 202 CYS cc_start: 0.7017 (m) cc_final: 0.6560 (m) REVERT: QZ 708 THR cc_start: 0.8576 (OUTLIER) cc_final: 0.8370 (p) REVERT: RB 302 CYS cc_start: 0.6806 (m) cc_final: 0.6362 (m) REVERT: RM 605 LYS cc_start: 0.8896 (mtmt) cc_final: 0.8643 (mtmt) REVERT: RT 502 CYS cc_start: 0.7101 (m) cc_final: 0.6688 (m) REVERT: RY 202 CYS cc_start: 0.6867 (m) cc_final: 0.6299 (m) REVERT: R8 405 LYS cc_start: 0.9053 (OUTLIER) cc_final: 0.8384 (mtmm) REVERT: SB 705 LYS cc_start: 0.8925 (OUTLIER) cc_final: 0.8411 (mtmp) REVERT: SM 205 LYS cc_start: 0.8953 (OUTLIER) cc_final: 0.8725 (mttt) REVERT: SR 705 LYS cc_start: 0.8789 (OUTLIER) cc_final: 0.8308 (mtpt) REVERT: S2 202 CYS cc_start: 0.6772 (m) cc_final: 0.6262 (m) REVERT: TA 202 CYS cc_start: 0.6702 (m) cc_final: 0.6344 (m) REVERT: TX 105 LYS cc_start: 0.8905 (OUTLIER) cc_final: 0.8574 (mttt) REVERT: T0 405 LYS cc_start: 0.9095 (mttp) cc_final: 0.8791 (mttt) REVERT: T1 505 LYS cc_start: 0.9069 (mttt) cc_final: 0.8801 (mttt) REVERT: UK 5 LYS cc_start: 0.9095 (OUTLIER) cc_final: 0.8796 (mtmt) outliers start: 276 outliers final: 188 residues processed: 943 average time/residue: 1.4876 time to fit residues: 1784.5660 Evaluate side-chains 946 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 217 poor density : 729 time to evaluate : 4.679 ------------------------------------------------------------------------------- Set rotamer restraints ********************** 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 4 residue 608 THR Chi-restraints excluded: chain 5 residue 708 THR Chi-restraints excluded: chain 9 residue 305 LYS Chi-restraints excluded: chain c residue 608 THR Chi-restraints excluded: chain e residue 5 LYS Chi-restraints excluded: chain k residue 608 THR Chi-restraints excluded: chain s residue 608 THR Chi-restraints excluded: chain AC residue 8 THR Chi-restraints excluded: chain AH residue 505 LYS Chi-restraints excluded: chain AI residue 608 THR Chi-restraints excluded: chain AK residue 8 THR Chi-restraints excluded: chain AO residue 402 CYS 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 A3 residue 305 LYS Chi-restraints excluded: chain A4 residue 405 LYS Chi-restraints excluded: chain A5 residue 505 LYS Chi-restraints excluded: chain A7 residue 705 LYS Chi-restraints excluded: chain A7 residue 708 THR Chi-restraints excluded: chain A8 residue 8 THR Chi-restraints excluded: chain BA residue 205 LYS Chi-restraints excluded: chain BC residue 402 CYS Chi-restraints excluded: chain BF residue 705 LYS Chi-restraints excluded: chain BF residue 708 THR Chi-restraints excluded: chain BI residue 205 LYS Chi-restraints excluded: chain BN residue 705 LYS Chi-restraints excluded: chain BP residue 108 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 CA residue 608 THR Chi-restraints excluded: chain CB residue 708 THR Chi-restraints excluded: chain CI residue 608 THR Chi-restraints excluded: chain CQ residue 608 THR Chi-restraints excluded: chain CY residue 608 THR Chi-restraints excluded: chain CZ residue 708 THR Chi-restraints excluded: chain C0 residue 8 THR Chi-restraints excluded: chain C7 residue 708 THR Chi-restraints excluded: chain DD residue 502 CYS Chi-restraints excluded: chain DE residue 608 THR Chi-restraints excluded: chain DG residue 5 LYS Chi-restraints excluded: chain DI residue 208 THR Chi-restraints excluded: chain DL residue 502 CYS Chi-restraints excluded: chain DM residue 608 THR Chi-restraints excluded: chain DO residue 8 THR Chi-restraints excluded: chain DR residue 305 LYS Chi-restraints excluded: chain DW residue 8 THR Chi-restraints excluded: chain DZ residue 305 LYS Chi-restraints excluded: chain EA residue 605 LYS Chi-restraints excluded: chain EB residue 705 LYS Chi-restraints excluded: chain EF residue 305 LYS 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 EO residue 405 LYS 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 E4 residue 405 LYS Chi-restraints excluded: chain E5 residue 505 LYS 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 FU residue 608 THR Chi-restraints excluded: chain FZ residue 306 VAL Chi-restraints excluded: chain F2 residue 608 THR Chi-restraints excluded: chain F6 residue 205 LYS Chi-restraints excluded: chain GA residue 608 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 GO residue 408 THR Chi-restraints excluded: chain GS residue 8 THR Chi-restraints excluded: chain GU residue 208 THR Chi-restraints excluded: chain GW residue 408 THR Chi-restraints excluded: chain G0 residue 5 LYS Chi-restraints excluded: chain G6 residue 608 THR Chi-restraints excluded: chain G8 residue 5 LYS Chi-restraints excluded: chain G8 residue 8 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 HF residue 708 THR Chi-restraints excluded: chain HG residue 8 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 HW residue 8 THR Chi-restraints excluded: chain H0 residue 405 LYS Chi-restraints excluded: chain H2 residue 605 LYS Chi-restraints excluded: chain H4 residue 8 THR Chi-restraints excluded: chain H8 residue 405 LYS Chi-restraints excluded: chain IB residue 705 LYS Chi-restraints excluded: chain II residue 608 THR Chi-restraints excluded: chain IJ residue 705 LYS 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 IW residue 402 CYS 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 JM residue 608 THR Chi-restraints excluded: chain JR residue 305 LYS Chi-restraints excluded: chain J4 residue 8 THR Chi-restraints excluded: chain KC residue 8 THR Chi-restraints excluded: chain KF residue 305 LYS Chi-restraints excluded: chain KG residue 408 THR Chi-restraints excluded: chain KI residue 608 THR Chi-restraints excluded: chain KK residue 8 THR 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 KW residue 405 LYS Chi-restraints excluded: chain K0 residue 8 THR Chi-restraints excluded: chain K3 residue 305 LYS Chi-restraints excluded: chain K4 residue 402 CYS Chi-restraints excluded: chain K6 residue 605 LYS 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 LG residue 8 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 LO 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 MA residue 608 THR Chi-restraints excluded: chain MI residue 608 THR Chi-restraints excluded: chain MO residue 408 THR Chi-restraints excluded: chain MQ residue 608 THR Chi-restraints excluded: chain MR residue 708 THR Chi-restraints excluded: chain MY residue 608 THR Chi-restraints excluded: chain M6 residue 608 THR Chi-restraints excluded: chain NC residue 405 LYS Chi-restraints excluded: chain NF residue 708 THR Chi-restraints excluded: chain NO residue 5 LYS Chi-restraints excluded: chain NU residue 608 THR Chi-restraints excluded: chain NW residue 8 THR Chi-restraints excluded: chain N2 residue 608 THR Chi-restraints excluded: chain N9 residue 502 CYS 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 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 O1 residue 108 THR Chi-restraints excluded: chain O4 residue 405 LYS Chi-restraints excluded: chain O5 residue 505 LYS Chi-restraints excluded: chain O7 residue 705 LYS 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 QA residue 608 THR Chi-restraints excluded: chain QB residue 708 THR Chi-restraints excluded: chain QO residue 408 THR Chi-restraints excluded: chain QQ residue 608 THR Chi-restraints excluded: chain QY residue 608 THR Chi-restraints excluded: chain QZ residue 708 THR Chi-restraints excluded: chain Q6 residue 608 THR Chi-restraints excluded: chain RA residue 208 THR Chi-restraints excluded: chain RD residue 508 THR Chi-restraints excluded: chain RM residue 608 THR 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 SB residue 705 LYS Chi-restraints excluded: chain SC residue 8 THR Chi-restraints excluded: chain SG residue 405 LYS Chi-restraints excluded: chain SH residue 505 LYS 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 SM residue 205 LYS Chi-restraints excluded: chain SO residue 405 LYS Chi-restraints excluded: chain SQ residue 608 THR Chi-restraints excluded: chain SR residue 705 LYS Chi-restraints excluded: chain SS residue 8 THR Chi-restraints excluded: chain SY residue 608 THR Chi-restraints excluded: chain S6 residue 608 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 T2 residue 608 THR Chi-restraints excluded: chain T4 residue 5 LYS Chi-restraints excluded: chain UA residue 608 THR Chi-restraints excluded: chain UF residue 305 LYS Chi-restraints excluded: chain UI residue 608 THR Chi-restraints excluded: chain UK residue 5 LYS Chi-restraints excluded: chain UQ residue 608 THR 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: 5.9990 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: 0.8318 moved from start: 0.2367 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.052 0.237 63200 Z= 2.811 Angle : 2.780 35.285 84800 Z= 1.308 Chirality : 0.202 0.648 8000 Planarity : 0.014 0.046 7200 Dihedral : 11.375 34.877 8000 Min Nonbonded Distance : 1.696 Molprobity Statistics. All-atom Clashscore : 7.30 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Rotamer: Outliers : 6.48 % Allowed : 10.62 % Favored : 82.90 % Cbeta Deviations : 0.73 % 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: 1.17 (0.12), residues: 1600 helix: None (None), residues: 0 sheet: None (None), residues: 0 loop : 0.90 (0.09), residues: 1600 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.048 0.011 TYR a 403 *********************** 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 1069 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 311 poor density : 758 time to evaluate : 4.883 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: 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: E 402 CYS cc_start: 0.7001 (m) cc_final: 0.6652 (m) REVERT: F 502 CYS cc_start: 0.7066 (m) cc_final: 0.6677 (m) REVERT: M 402 CYS cc_start: 0.7094 (m) cc_final: 0.6583 (m) REVERT: R 105 LYS cc_start: 0.9084 (OUTLIER) cc_final: 0.8585 (mtpp) REVERT: U 402 CYS cc_start: 0.6961 (m) cc_final: 0.6640 (m) REVERT: q 402 CYS cc_start: 0.6925 (m) cc_final: 0.6442 (m) REVERT: s 605 LYS cc_start: 0.8946 (mtmt) cc_final: 0.8691 (mtmm) REVERT: AF 302 CYS cc_start: 0.6760 (m) cc_final: 0.6440 (m) REVERT: AG 405 LYS cc_start: 0.8991 (mtmt) cc_final: 0.8725 (mtmt) REVERT: A3 305 LYS cc_start: 0.9025 (OUTLIER) cc_final: 0.8810 (mttt) REVERT: BA 205 LYS cc_start: 0.8878 (OUTLIER) cc_final: 0.8666 (mttt) REVERT: BK 402 CYS cc_start: 0.6924 (m) cc_final: 0.6551 (m) REVERT: BN 705 LYS cc_start: 0.8751 (OUTLIER) cc_final: 0.8544 (mtmt) REVERT: BY 202 CYS cc_start: 0.6215 (m) cc_final: 0.5709 (m) REVERT: B7 302 CYS cc_start: 0.7192 (m) cc_final: 0.6623 (m) REVERT: B9 502 CYS cc_start: 0.6793 (m) cc_final: 0.6402 (m) REVERT: CE 202 CYS cc_start: 0.6569 (m) cc_final: 0.6152 (m) REVERT: CL 105 LYS cc_start: 0.9066 (OUTLIER) cc_final: 0.8836 (mttp) REVERT: CM 202 CYS cc_start: 0.7029 (m) cc_final: 0.6590 (m) REVERT: C3 302 CYS cc_start: 0.6979 (m) cc_final: 0.6664 (m) REVERT: DR 302 CYS cc_start: 0.6801 (m) cc_final: 0.6377 (m) REVERT: D0 402 CYS cc_start: 0.7142 (m) cc_final: 0.6607 (m) REVERT: D8 402 CYS cc_start: 0.7002 (m) cc_final: 0.6688 (m) REVERT: D9 502 CYS cc_start: 0.7058 (m) cc_final: 0.6702 (m) REVERT: EO 405 LYS cc_start: 0.9072 (OUTLIER) cc_final: 0.8466 (mtmm) REVERT: EZ 705 LYS cc_start: 0.8782 (OUTLIER) cc_final: 0.8185 (mtpt) REVERT: E4 405 LYS cc_start: 0.9106 (OUTLIER) cc_final: 0.8628 (mtmm) REVERT: FY 202 CYS cc_start: 0.6982 (m) cc_final: 0.6525 (m) REVERT: F6 202 CYS cc_start: 0.7004 (m) cc_final: 0.6533 (m) REVERT: F6 205 LYS cc_start: 0.9029 (OUTLIER) cc_final: 0.8813 (mttp) REVERT: F8 402 CYS cc_start: 0.7233 (m) cc_final: 0.6846 (m) REVERT: GG 405 LYS cc_start: 0.9114 (OUTLIER) cc_final: 0.8465 (mtmm) REVERT: GO 402 CYS cc_start: 0.7058 (m) cc_final: 0.6618 (m) REVERT: GW 402 CYS cc_start: 0.7121 (m) cc_final: 0.6838 (m) REVERT: G0 5 LYS cc_start: 0.9014 (OUTLIER) cc_final: 0.8595 (mttp) REVERT: HC 402 CYS cc_start: 0.7167 (m) cc_final: 0.6819 (m) REVERT: HC 405 LYS cc_start: 0.8988 (mtmt) cc_final: 0.8785 (mtmt) REVERT: HD 502 CYS cc_start: 0.7154 (m) cc_final: 0.6701 (m) REVERT: HE 605 LYS cc_start: 0.8824 (OUTLIER) cc_final: 0.8467 (mtmt) REVERT: HT 502 CYS cc_start: 0.7198 (m) cc_final: 0.6980 (m) REVERT: H3 705 LYS cc_start: 0.9027 (OUTLIER) cc_final: 0.8526 (mtmp) REVERT: H9 502 CYS cc_start: 0.7118 (m) cc_final: 0.6758 (m) REVERT: IJ 705 LYS cc_start: 0.8686 (OUTLIER) cc_final: 0.8003 (mtpt) REVERT: IM 202 CYS cc_start: 0.6511 (m) cc_final: 0.6154 (m) REVERT: IO 402 CYS cc_start: 0.7144 (m) cc_final: 0.6726 (m) REVERT: IO 405 LYS cc_start: 0.8984 (OUTLIER) cc_final: 0.8536 (mtmm) REVERT: IP 502 CYS cc_start: 0.7136 (m) cc_final: 0.6567 (m) REVERT: I4 402 CYS cc_start: 0.7101 (m) cc_final: 0.6702 (m) REVERT: JZ 302 CYS cc_start: 0.6939 (m) cc_final: 0.6606 (m) REVERT: J4 5 LYS cc_start: 0.9057 (OUTLIER) cc_final: 0.8750 (mttm) REVERT: J6 202 CYS cc_start: 0.6890 (m) cc_final: 0.6373 (m) REVERT: KG 402 CYS cc_start: 0.7099 (m) cc_final: 0.6557 (m) REVERT: KO 405 LYS cc_start: 0.8968 (mtmt) cc_final: 0.8728 (mttp) REVERT: KQ 605 LYS cc_start: 0.8826 (OUTLIER) cc_final: 0.8179 (mtpt) REVERT: KW 405 LYS cc_start: 0.9013 (OUTLIER) cc_final: 0.8720 (mttp) REVERT: K5 502 CYS cc_start: 0.7049 (m) cc_final: 0.6711 (m) REVERT: K8 5 LYS cc_start: 0.9020 (OUTLIER) cc_final: 0.8790 (mttt) REVERT: LN 705 LYS cc_start: 0.8864 (OUTLIER) cc_final: 0.8245 (mtpt) REVERT: LY 205 LYS cc_start: 0.9047 (OUTLIER) cc_final: 0.8420 (mtmm) REVERT: L3 705 LYS cc_start: 0.8763 (mtmt) cc_final: 0.8519 (mtmt) REVERT: L6 202 CYS cc_start: 0.6711 (m) cc_final: 0.6262 (m) REVERT: L8 402 CYS cc_start: 0.7081 (m) cc_final: 0.6802 (m) REVERT: ME 202 CYS cc_start: 0.6357 (m) cc_final: 0.6076 (m) REVERT: NC 402 CYS cc_start: 0.6675 (m) cc_final: 0.6155 (m) REVERT: NI 202 CYS cc_start: 0.7085 (m) cc_final: 0.6581 (m) REVERT: NO 5 LYS cc_start: 0.9031 (OUTLIER) cc_final: 0.8739 (mtmt) REVERT: NR 302 CYS cc_start: 0.6877 (m) cc_final: 0.6541 (m) REVERT: NS 402 CYS cc_start: 0.6994 (m) cc_final: 0.6726 (m) REVERT: NZ 302 CYS cc_start: 0.6775 (m) cc_final: 0.6431 (m) REVERT: N0 402 CYS cc_start: 0.7003 (m) cc_final: 0.6697 (m) REVERT: N7 302 CYS cc_start: 0.6791 (m) cc_final: 0.6353 (m) REVERT: OF 302 CYS cc_start: 0.6719 (m) cc_final: 0.6380 (m) REVERT: OG 402 CYS cc_start: 0.7118 (m) cc_final: 0.6707 (m) REVERT: ON 305 LYS cc_start: 0.9019 (OUTLIER) cc_final: 0.8818 (mttt) REVERT: OO 405 LYS cc_start: 0.9047 (OUTLIER) cc_final: 0.8730 (mtmm) REVERT: OR 705 LYS cc_start: 0.8990 (OUTLIER) cc_final: 0.8479 (mtmp) REVERT: OW 405 LYS cc_start: 0.9095 (OUTLIER) cc_final: 0.8836 (mtmm) REVERT: O4 405 LYS cc_start: 0.9099 (OUTLIER) cc_final: 0.8509 (mtmm) REVERT: O7 705 LYS cc_start: 0.8693 (OUTLIER) cc_final: 0.8136 (mtpt) REVERT: O8 5 LYS cc_start: 0.8907 (mttt) cc_final: 0.8698 (mttt) REVERT: O9 105 LYS cc_start: 0.8711 (mttt) cc_final: 0.8499 (mttp) REVERT: PG 5 LYS cc_start: 0.9048 (OUTLIER) cc_final: 0.8110 (mmmm) REVERT: PY 202 CYS cc_start: 0.6864 (m) cc_final: 0.6489 (m) REVERT: P0 402 CYS cc_start: 0.7079 (m) cc_final: 0.6706 (m) REVERT: P1 502 CYS cc_start: 0.6840 (m) cc_final: 0.6571 (m) REVERT: QE 202 CYS cc_start: 0.6976 (m) cc_final: 0.6485 (m) REVERT: QM 202 CYS cc_start: 0.7004 (m) cc_final: 0.6560 (m) REVERT: Q4 402 CYS cc_start: 0.6751 (m) cc_final: 0.6247 (m) REVERT: RB 302 CYS cc_start: 0.6685 (m) cc_final: 0.6244 (m) REVERT: RM 605 LYS cc_start: 0.8855 (mtmt) cc_final: 0.8605 (mtmt) REVERT: RT 502 CYS cc_start: 0.7022 (m) cc_final: 0.6712 (m) REVERT: RY 202 CYS cc_start: 0.6932 (m) cc_final: 0.6357 (m) REVERT: R8 405 LYS cc_start: 0.9051 (OUTLIER) cc_final: 0.8383 (mtmm) REVERT: SB 705 LYS cc_start: 0.8972 (OUTLIER) cc_final: 0.8458 (mtmp) REVERT: SM 205 LYS cc_start: 0.8965 (OUTLIER) cc_final: 0.8759 (mttt) REVERT: SR 705 LYS cc_start: 0.8800 (OUTLIER) cc_final: 0.8301 (mtpt) REVERT: S2 202 CYS cc_start: 0.6781 (m) cc_final: 0.6271 (m) REVERT: TA 202 CYS cc_start: 0.6648 (m) cc_final: 0.6382 (m) REVERT: TI 202 CYS cc_start: 0.6440 (m) cc_final: 0.6056 (m) REVERT: TX 105 LYS cc_start: 0.8929 (OUTLIER) cc_final: 0.8588 (mttt) REVERT: T0 405 LYS cc_start: 0.9037 (mttp) cc_final: 0.8792 (mttt) REVERT: T1 505 LYS cc_start: 0.9058 (mttt) cc_final: 0.8787 (mttt) REVERT: UK 5 LYS cc_start: 0.9121 (OUTLIER) cc_final: 0.8839 (mtmt) outliers start: 311 outliers final: 220 residues processed: 923 average time/residue: 1.4460 time to fit residues: 1713.7380 Evaluate side-chains 969 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 255 poor density : 714 time to evaluate : 4.773 ------------------------------------------------------------------------------- Set rotamer restraints ********************** 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 4 residue 608 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 d residue 708 THR Chi-restraints excluded: chain e residue 5 LYS Chi-restraints excluded: chain k residue 608 THR Chi-restraints excluded: chain p residue 305 LYS Chi-restraints excluded: chain s residue 608 THR Chi-restraints excluded: chain AC residue 8 THR Chi-restraints excluded: chain AH residue 505 LYS Chi-restraints excluded: chain AI residue 608 THR Chi-restraints excluded: chain AK residue 8 THR Chi-restraints excluded: chain AO residue 402 CYS Chi-restraints excluded: chain AR residue 708 THR Chi-restraints excluded: chain AS residue 8 THR Chi-restraints excluded: chain AV residue 305 LYS Chi-restraints excluded: chain AW residue 402 CYS Chi-restraints excluded: chain A0 residue 8 THR Chi-restraints excluded: chain A3 residue 305 LYS Chi-restraints excluded: chain A4 residue 405 LYS Chi-restraints excluded: chain A5 residue 505 LYS Chi-restraints excluded: chain A7 residue 705 LYS Chi-restraints excluded: chain A7 residue 708 THR Chi-restraints excluded: chain A8 residue 8 THR Chi-restraints excluded: chain BA residue 205 LYS Chi-restraints excluded: chain BC residue 402 CYS Chi-restraints excluded: chain BF residue 705 LYS Chi-restraints excluded: chain BH residue 108 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 BP residue 108 THR Chi-restraints excluded: chain B2 residue 608 THR Chi-restraints excluded: chain B3 residue 705 LYS Chi-restraints excluded: chain B8 residue 408 THR Chi-restraints excluded: chain CA residue 608 THR Chi-restraints excluded: chain CB residue 708 THR Chi-restraints excluded: chain CI residue 608 THR Chi-restraints excluded: chain CL residue 105 LYS Chi-restraints excluded: chain CQ residue 608 THR Chi-restraints excluded: chain CY residue 608 THR Chi-restraints excluded: chain CZ residue 708 THR Chi-restraints excluded: chain C4 residue 408 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 DH residue 105 LYS Chi-restraints excluded: chain DI residue 208 THR Chi-restraints excluded: chain DM residue 608 THR Chi-restraints excluded: chain DO residue 8 THR Chi-restraints excluded: chain DR residue 305 LYS Chi-restraints excluded: chain DS residue 402 CYS Chi-restraints excluded: chain DT residue 502 CYS Chi-restraints excluded: chain DV residue 705 LYS Chi-restraints excluded: chain DW residue 8 THR Chi-restraints excluded: chain DZ residue 305 LYS 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 405 LYS Chi-restraints excluded: chain EH residue 502 CYS Chi-restraints excluded: chain EJ residue 705 LYS Chi-restraints excluded: chain EO residue 405 LYS 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 E4 residue 405 LYS Chi-restraints excluded: chain E5 residue 505 LYS Chi-restraints excluded: chain E9 residue 108 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 FU residue 608 THR Chi-restraints excluded: chain FZ residue 306 VAL Chi-restraints excluded: chain F2 residue 608 THR Chi-restraints excluded: chain F6 residue 205 LYS Chi-restraints excluded: chain GA residue 608 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 GO residue 408 THR Chi-restraints excluded: chain GP residue 502 CYS Chi-restraints excluded: chain GW residue 408 THR Chi-restraints excluded: chain GY residue 608 THR Chi-restraints excluded: chain G0 residue 5 LYS Chi-restraints excluded: chain G0 residue 8 THR Chi-restraints excluded: chain G6 residue 608 THR Chi-restraints excluded: chain G8 residue 5 LYS Chi-restraints excluded: chain G8 residue 8 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 HF residue 708 THR Chi-restraints excluded: chain HG residue 8 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 HU residue 608 THR Chi-restraints excluded: chain HV residue 705 LYS 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 H4 residue 8 THR 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 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 IP residue 505 LYS Chi-restraints excluded: chain IQ residue 608 THR Chi-restraints excluded: chain IR residue 708 THR Chi-restraints excluded: chain IX residue 505 LYS Chi-restraints excluded: chain IY residue 608 THR Chi-restraints excluded: chain IZ residue 708 THR Chi-restraints excluded: chain I7 residue 708 THR Chi-restraints excluded: chain I9 residue 108 THR Chi-restraints excluded: chain JG residue 5 LYS Chi-restraints excluded: chain JM residue 608 THR Chi-restraints excluded: chain JR residue 305 LYS Chi-restraints excluded: chain J3 residue 708 THR Chi-restraints excluded: chain J4 residue 5 LYS Chi-restraints excluded: chain J4 residue 8 THR Chi-restraints excluded: chain J5 residue 105 LYS Chi-restraints excluded: chain KB residue 708 THR Chi-restraints excluded: chain KC residue 8 THR Chi-restraints excluded: chain KG residue 408 THR Chi-restraints excluded: chain KI residue 608 THR Chi-restraints excluded: chain KK residue 8 THR Chi-restraints excluded: chain KN residue 305 LYS 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 KW residue 405 LYS Chi-restraints excluded: chain K0 residue 8 THR Chi-restraints excluded: chain K3 residue 305 LYS Chi-restraints excluded: chain K4 residue 402 CYS Chi-restraints excluded: chain K6 residue 605 LYS 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 LC residue 402 CYS Chi-restraints excluded: chain LG residue 8 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 LM residue 608 THR Chi-restraints excluded: chain LN residue 705 LYS Chi-restraints excluded: chain LO residue 8 THR Chi-restraints excluded: chain LQ residue 205 LYS 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 MI residue 608 THR Chi-restraints excluded: chain MQ residue 608 THR Chi-restraints excluded: chain MR residue 708 THR Chi-restraints excluded: chain MY residue 608 THR Chi-restraints excluded: chain M6 residue 608 THR Chi-restraints excluded: chain NF residue 708 THR Chi-restraints excluded: chain NG residue 8 THR Chi-restraints excluded: chain NJ residue 305 LYS Chi-restraints excluded: chain NN residue 708 THR Chi-restraints excluded: chain NO residue 5 LYS Chi-restraints excluded: chain NU residue 608 THR Chi-restraints excluded: chain NW residue 8 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 ON residue 305 LYS Chi-restraints excluded: chain OO residue 405 LYS 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 OW residue 405 LYS Chi-restraints excluded: chain OZ residue 705 LYS Chi-restraints excluded: chain O4 residue 405 LYS Chi-restraints excluded: chain O5 residue 505 LYS Chi-restraints excluded: chain O7 residue 705 LYS Chi-restraints excluded: chain PF residue 708 THR Chi-restraints excluded: chain PG residue 5 LYS Chi-restraints excluded: chain PI residue 205 LYS Chi-restraints excluded: chain PM residue 608 THR Chi-restraints excluded: chain QA residue 608 THR Chi-restraints excluded: chain QB residue 708 THR Chi-restraints excluded: chain QO residue 408 THR Chi-restraints excluded: chain QQ residue 608 THR Chi-restraints excluded: chain QY residue 608 THR Chi-restraints excluded: chain QZ residue 708 THR Chi-restraints excluded: chain Q6 residue 608 THR Chi-restraints excluded: chain RC residue 405 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 R7 residue 305 LYS Chi-restraints excluded: chain R8 residue 405 LYS Chi-restraints excluded: chain SB residue 705 LYS Chi-restraints excluded: chain SC residue 8 THR Chi-restraints excluded: chain SD residue 108 THR Chi-restraints excluded: chain SG residue 405 LYS Chi-restraints excluded: chain SH residue 505 LYS 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 SM residue 205 LYS Chi-restraints excluded: chain SN residue 305 LYS Chi-restraints excluded: chain SO residue 405 LYS Chi-restraints excluded: chain SQ residue 608 THR Chi-restraints excluded: chain SR residue 705 LYS Chi-restraints excluded: chain SS residue 8 THR Chi-restraints excluded: chain SY residue 608 THR Chi-restraints excluded: chain S6 residue 608 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 T2 residue 608 THR Chi-restraints excluded: chain T4 residue 5 LYS Chi-restraints excluded: chain UA residue 608 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 UQ residue 608 THR 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: 5.9990 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: 0.8317 moved from start: 0.2383 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.052 0.240 63200 Z= 2.815 Angle : 2.788 24.985 84800 Z= 1.311 Chirality : 0.203 0.634 8000 Planarity : 0.014 0.046 7200 Dihedral : 11.366 35.200 8000 Min Nonbonded Distance : 1.669 Molprobity Statistics. All-atom Clashscore : 7.33 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Rotamer: Outliers : 6.85 % Allowed : 10.60 % Favored : 82.54 % Cbeta Deviations : 0.72 % 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: 1.16 (0.12), residues: 1600 helix: None (None), residues: 0 sheet: None (None), residues: 0 loop : 0.90 (0.09), residues: 1600 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.049 0.011 TYR a 403 *********************** 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 1083 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 329 poor density : 754 time to evaluate : 4.770 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: 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: E 402 CYS cc_start: 0.6998 (m) cc_final: 0.6650 (m) REVERT: F 502 CYS cc_start: 0.7067 (m) cc_final: 0.6677 (m) REVERT: M 402 CYS cc_start: 0.7072 (m) cc_final: 0.6560 (m) REVERT: R 105 LYS cc_start: 0.9078 (OUTLIER) cc_final: 0.8567 (mtpp) REVERT: q 402 CYS cc_start: 0.6929 (m) cc_final: 0.6439 (m) REVERT: AF 302 CYS cc_start: 0.6702 (m) cc_final: 0.6399 (m) REVERT: AG 405 LYS cc_start: 0.8989 (mtmt) cc_final: 0.8752 (mtmt) REVERT: A3 305 LYS cc_start: 0.9023 (OUTLIER) cc_final: 0.8803 (mttt) REVERT: BA 205 LYS cc_start: 0.8868 (OUTLIER) cc_final: 0.8666 (mttt) REVERT: BK 402 CYS cc_start: 0.6918 (m) cc_final: 0.6541 (m) REVERT: BN 705 LYS cc_start: 0.8744 (OUTLIER) cc_final: 0.8209 (mtpt) REVERT: BY 202 CYS cc_start: 0.6214 (m) cc_final: 0.5702 (m) REVERT: B7 302 CYS cc_start: 0.7192 (m) cc_final: 0.6629 (m) REVERT: B9 502 CYS cc_start: 0.6792 (m) cc_final: 0.6406 (m) REVERT: CE 202 CYS cc_start: 0.6578 (m) cc_final: 0.6160 (m) REVERT: CM 202 CYS cc_start: 0.7033 (m) cc_final: 0.6590 (m) REVERT: C3 302 CYS cc_start: 0.7009 (m) cc_final: 0.6694 (m) REVERT: DR 302 CYS cc_start: 0.6801 (m) cc_final: 0.6385 (m) REVERT: DY 202 CYS cc_start: 0.7158 (m) cc_final: 0.6712 (m) REVERT: D0 402 CYS cc_start: 0.7145 (m) cc_final: 0.6607 (m) REVERT: D8 402 CYS cc_start: 0.7091 (m) cc_final: 0.6776 (m) REVERT: D9 502 CYS cc_start: 0.7062 (m) cc_final: 0.6707 (m) REVERT: EO 405 LYS cc_start: 0.9068 (OUTLIER) cc_final: 0.8458 (mtmm) REVERT: EZ 705 LYS cc_start: 0.8779 (OUTLIER) cc_final: 0.8180 (mtpt) REVERT: E4 405 LYS cc_start: 0.9103 (OUTLIER) cc_final: 0.8640 (mtmm) REVERT: FY 202 CYS cc_start: 0.6983 (m) cc_final: 0.6526 (m) REVERT: F6 202 CYS cc_start: 0.7064 (m) cc_final: 0.6598 (m) REVERT: F6 205 LYS cc_start: 0.9026 (OUTLIER) cc_final: 0.8803 (mttp) REVERT: F8 402 CYS cc_start: 0.7235 (m) cc_final: 0.6852 (m) REVERT: GG 405 LYS cc_start: 0.9118 (OUTLIER) cc_final: 0.8469 (mtmm) REVERT: GO 402 CYS cc_start: 0.7056 (m) cc_final: 0.6604 (m) REVERT: GW 402 CYS cc_start: 0.7126 (m) cc_final: 0.6843 (m) REVERT: GZ 708 THR cc_start: 0.8749 (p) cc_final: 0.8500 (p) REVERT: G0 5 LYS cc_start: 0.9012 (OUTLIER) cc_final: 0.8591 (mttp) REVERT: HC 402 CYS cc_start: 0.7172 (m) cc_final: 0.6827 (m) REVERT: HE 605 LYS cc_start: 0.8850 (OUTLIER) cc_final: 0.8491 (mtmt) REVERT: H3 705 LYS cc_start: 0.9044 (OUTLIER) cc_final: 0.8511 (mtmp) REVERT: H9 502 CYS cc_start: 0.7120 (m) cc_final: 0.6774 (m) REVERT: IJ 705 LYS cc_start: 0.8677 (OUTLIER) cc_final: 0.7995 (mtpt) REVERT: IM 202 CYS cc_start: 0.6513 (m) cc_final: 0.6156 (m) REVERT: IO 402 CYS cc_start: 0.7083 (m) cc_final: 0.6686 (m) REVERT: IO 405 LYS cc_start: 0.8982 (OUTLIER) cc_final: 0.8518 (mtmm) REVERT: IP 502 CYS cc_start: 0.7140 (m) cc_final: 0.6573 (m) REVERT: I4 402 CYS cc_start: 0.7108 (m) cc_final: 0.6708 (m) REVERT: JO 5 LYS cc_start: 0.9003 (OUTLIER) cc_final: 0.8701 (mtpt) REVERT: JZ 302 CYS cc_start: 0.6945 (m) cc_final: 0.6613 (m) REVERT: J6 202 CYS cc_start: 0.6885 (m) cc_final: 0.6376 (m) REVERT: J8 402 CYS cc_start: 0.6734 (m) cc_final: 0.6336 (m) REVERT: KG 402 CYS cc_start: 0.7092 (m) cc_final: 0.6555 (m) REVERT: KQ 605 LYS cc_start: 0.8814 (OUTLIER) cc_final: 0.8156 (mtpt) REVERT: KW 405 LYS cc_start: 0.9023 (OUTLIER) cc_final: 0.8759 (mttp) REVERT: K5 502 CYS cc_start: 0.7043 (m) cc_final: 0.6682 (m) REVERT: LD 502 CYS cc_start: 0.7172 (m) cc_final: 0.6911 (m) REVERT: LN 705 LYS cc_start: 0.8868 (OUTLIER) cc_final: 0.8249 (mtpt) REVERT: LR 302 CYS cc_start: 0.6849 (m) cc_final: 0.6469 (m) REVERT: LV 705 LYS cc_start: 0.8721 (mtmt) cc_final: 0.8488 (mtmt) REVERT: LY 205 LYS cc_start: 0.9048 (OUTLIER) cc_final: 0.8486 (mtmm) REVERT: L6 202 CYS cc_start: 0.6708 (m) cc_final: 0.6263 (m) REVERT: L8 402 CYS cc_start: 0.7082 (m) cc_final: 0.6807 (m) REVERT: ME 202 CYS cc_start: 0.6334 (m) cc_final: 0.6020 (m) REVERT: NC 402 CYS cc_start: 0.6674 (m) cc_final: 0.6177 (m) REVERT: NL 502 CYS cc_start: 0.7009 (m) cc_final: 0.6657 (m) REVERT: NO 5 LYS cc_start: 0.9034 (OUTLIER) cc_final: 0.8747 (mtmt) REVERT: NR 302 CYS cc_start: 0.6876 (m) cc_final: 0.6539 (m) REVERT: NZ 302 CYS cc_start: 0.6774 (m) cc_final: 0.6426 (m) REVERT: N0 402 CYS cc_start: 0.6982 (m) cc_final: 0.6680 (m) REVERT: N7 302 CYS cc_start: 0.6801 (m) cc_final: 0.6362 (m) REVERT: OE 202 CYS cc_start: 0.6913 (m) cc_final: 0.6432 (m) REVERT: OF 302 CYS cc_start: 0.6714 (m) cc_final: 0.6377 (m) REVERT: OG 402 CYS cc_start: 0.7116 (m) cc_final: 0.6704 (m) REVERT: OO 405 LYS cc_start: 0.9045 (OUTLIER) cc_final: 0.8724 (mtmm) REVERT: OR 705 LYS cc_start: 0.8992 (OUTLIER) cc_final: 0.8481 (mtmp) REVERT: OS 5 LYS cc_start: 0.9006 (OUTLIER) cc_final: 0.8737 (mtmt) REVERT: OW 405 LYS cc_start: 0.9076 (OUTLIER) cc_final: 0.8861 (mtmm) REVERT: O2 202 CYS cc_start: 0.6827 (m) cc_final: 0.6353 (m) REVERT: O4 405 LYS cc_start: 0.9103 (OUTLIER) cc_final: 0.8498 (mtmm) REVERT: O7 705 LYS cc_start: 0.8686 (OUTLIER) cc_final: 0.8108 (mtpt) REVERT: O8 5 LYS cc_start: 0.8907 (mttt) cc_final: 0.8689 (mttt) REVERT: O9 105 LYS cc_start: 0.8732 (mttt) cc_final: 0.8502 (mttp) REVERT: PG 5 LYS cc_start: 0.9012 (OUTLIER) cc_final: 0.8227 (mmmm) REVERT: PY 202 CYS cc_start: 0.6867 (m) cc_final: 0.6490 (m) REVERT: P0 402 CYS cc_start: 0.7070 (m) cc_final: 0.6701 (m) REVERT: P1 502 CYS cc_start: 0.6853 (m) cc_final: 0.6578 (m) REVERT: QE 202 CYS cc_start: 0.6979 (m) cc_final: 0.6484 (m) REVERT: QM 202 CYS cc_start: 0.7004 (m) cc_final: 0.6563 (m) REVERT: Q4 402 CYS cc_start: 0.6752 (m) cc_final: 0.6251 (m) REVERT: RB 302 CYS cc_start: 0.6737 (m) cc_final: 0.6305 (m) REVERT: RM 605 LYS cc_start: 0.8857 (mtmt) cc_final: 0.8602 (mtmt) REVERT: RT 502 CYS cc_start: 0.7025 (m) cc_final: 0.6706 (m) REVERT: RY 202 CYS cc_start: 0.6888 (m) cc_final: 0.6322 (m) REVERT: R1 502 CYS cc_start: 0.7433 (m) cc_final: 0.7126 (m) REVERT: R8 405 LYS cc_start: 0.9053 (OUTLIER) cc_final: 0.8385 (mtmm) REVERT: SB 705 LYS cc_start: 0.8968 (OUTLIER) cc_final: 0.8454 (mtmp) REVERT: SM 205 LYS cc_start: 0.8963 (OUTLIER) cc_final: 0.8746 (mttt) REVERT: SR 705 LYS cc_start: 0.8793 (OUTLIER) cc_final: 0.8298 (mtpt) REVERT: SU 202 CYS cc_start: 0.6528 (m) cc_final: 0.6110 (m) REVERT: SU 205 LYS cc_start: 0.8975 (OUTLIER) cc_final: 0.8303 (mtmm) REVERT: S2 202 CYS cc_start: 0.6775 (m) cc_final: 0.6262 (m) REVERT: TA 202 CYS cc_start: 0.6657 (m) cc_final: 0.6390 (m) REVERT: TX 105 LYS cc_start: 0.8924 (OUTLIER) cc_final: 0.8632 (mttt) REVERT: TY 202 CYS cc_start: 0.7035 (m) cc_final: 0.6758 (m) REVERT: T0 405 LYS cc_start: 0.9100 (mttp) cc_final: 0.8814 (mttt) REVERT: T1 505 LYS cc_start: 0.9051 (mttt) cc_final: 0.8784 (mttt) REVERT: T5 105 LYS cc_start: 0.8995 (OUTLIER) cc_final: 0.8535 (mtpp) REVERT: UK 5 LYS cc_start: 0.9119 (OUTLIER) cc_final: 0.8838 (mtmt) REVERT: UL 105 LYS cc_start: 0.9077 (OUTLIER) cc_final: 0.8760 (mttp) outliers start: 329 outliers final: 250 residues processed: 932 average time/residue: 1.4800 time to fit residues: 1760.7873 Evaluate side-chains 992 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 286 poor density : 706 time to evaluate : 4.764 ------------------------------------------------------------------------------- Set rotamer restraints ********************** 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 208 THR Chi-restraints excluded: chain X residue 708 THR Chi-restraints excluded: chain 4 residue 608 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 d residue 708 THR Chi-restraints excluded: chain e residue 5 LYS Chi-restraints excluded: chain k residue 608 THR Chi-restraints excluded: chain p residue 305 LYS Chi-restraints excluded: chain s residue 608 THR Chi-restraints excluded: chain AC residue 8 THR Chi-restraints excluded: chain AH residue 505 LYS Chi-restraints excluded: chain AI residue 608 THR Chi-restraints excluded: chain AK residue 8 THR Chi-restraints excluded: chain AO residue 402 CYS Chi-restraints excluded: chain AR residue 708 THR Chi-restraints excluded: chain AS residue 8 THR Chi-restraints excluded: chain AV residue 305 LYS Chi-restraints excluded: chain AW residue 402 CYS Chi-restraints excluded: chain A0 residue 8 THR Chi-restraints excluded: chain A3 residue 305 LYS Chi-restraints excluded: chain A4 residue 405 LYS Chi-restraints excluded: chain A5 residue 505 LYS Chi-restraints excluded: chain A7 residue 705 LYS Chi-restraints excluded: chain A7 residue 708 THR Chi-restraints excluded: chain A8 residue 8 THR Chi-restraints excluded: chain BA residue 205 LYS Chi-restraints excluded: chain BC residue 402 CYS Chi-restraints excluded: chain BF residue 705 LYS Chi-restraints excluded: chain BH residue 108 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 BP residue 108 THR Chi-restraints excluded: chain BU residue 608 THR Chi-restraints excluded: chain BX residue 108 THR Chi-restraints excluded: chain B2 residue 608 THR Chi-restraints excluded: chain B3 residue 705 LYS Chi-restraints excluded: chain B9 residue 505 LYS Chi-restraints excluded: chain CA residue 608 THR Chi-restraints excluded: chain CB residue 708 THR Chi-restraints excluded: chain CI residue 608 THR Chi-restraints excluded: chain CL residue 105 LYS Chi-restraints excluded: chain CM residue 205 LYS Chi-restraints excluded: chain CQ residue 608 THR Chi-restraints excluded: chain CY residue 608 THR Chi-restraints excluded: chain CZ residue 708 THR Chi-restraints excluded: chain C4 residue 408 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 DH residue 105 LYS Chi-restraints excluded: chain DI residue 208 THR Chi-restraints excluded: chain DM residue 608 THR Chi-restraints excluded: chain DO residue 8 THR Chi-restraints excluded: chain DR residue 305 LYS Chi-restraints excluded: chain DS residue 402 CYS Chi-restraints excluded: chain DT residue 502 CYS Chi-restraints excluded: chain DV residue 705 LYS Chi-restraints excluded: chain DW residue 8 THR Chi-restraints excluded: chain DZ residue 305 LYS Chi-restraints excluded: chain D3 residue 705 LYS 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 EJ residue 705 LYS Chi-restraints excluded: chain EO residue 402 CYS Chi-restraints excluded: chain EO residue 405 LYS 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 E4 residue 405 LYS Chi-restraints excluded: chain E5 residue 505 LYS Chi-restraints excluded: chain E9 residue 108 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 FU residue 608 THR Chi-restraints excluded: chain FZ residue 306 VAL Chi-restraints excluded: chain F2 residue 608 THR Chi-restraints excluded: chain F6 residue 205 LYS Chi-restraints excluded: chain GA residue 608 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 GS residue 8 THR Chi-restraints excluded: chain GU residue 208 THR Chi-restraints excluded: chain GW residue 405 LYS Chi-restraints excluded: chain GW residue 408 THR Chi-restraints excluded: chain GY residue 608 THR Chi-restraints excluded: chain G0 residue 5 LYS Chi-restraints excluded: chain G0 residue 8 THR Chi-restraints excluded: chain G6 residue 608 THR Chi-restraints excluded: chain G8 residue 5 LYS Chi-restraints excluded: chain G8 residue 8 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 HG residue 8 THR 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 HU residue 605 LYS Chi-restraints excluded: chain HU residue 608 THR Chi-restraints excluded: chain HV residue 705 LYS 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 H3 residue 705 LYS Chi-restraints excluded: chain H4 residue 8 THR Chi-restraints excluded: chain H6 residue 205 LYS Chi-restraints excluded: chain H8 residue 405 LYS Chi-restraints excluded: chain H9 residue 505 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 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 IY residue 608 THR Chi-restraints excluded: chain IZ residue 708 THR Chi-restraints excluded: chain I7 residue 708 THR Chi-restraints excluded: chain I9 residue 108 THR Chi-restraints excluded: chain JM residue 608 THR Chi-restraints excluded: chain JN residue 705 LYS Chi-restraints excluded: chain JO residue 5 LYS Chi-restraints excluded: chain JR residue 305 LYS Chi-restraints excluded: chain J3 residue 708 THR Chi-restraints excluded: chain J4 residue 8 THR Chi-restraints excluded: chain J5 residue 105 LYS Chi-restraints excluded: chain KB residue 708 THR Chi-restraints excluded: chain KG residue 408 THR Chi-restraints excluded: chain KI residue 608 THR Chi-restraints excluded: chain KK residue 8 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 KW residue 405 LYS Chi-restraints excluded: chain K0 residue 8 THR Chi-restraints excluded: chain K3 residue 305 LYS Chi-restraints excluded: chain K4 residue 402 CYS Chi-restraints excluded: chain K6 residue 605 LYS 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 LC residue 402 CYS Chi-restraints excluded: chain LE residue 608 THR Chi-restraints excluded: chain LG residue 8 THR Chi-restraints excluded: chain LH residue 108 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 LN residue 705 LYS Chi-restraints excluded: chain LO residue 8 THR Chi-restraints excluded: chain LQ residue 205 LYS 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 MH residue 505 LYS Chi-restraints excluded: chain MI residue 608 THR Chi-restraints excluded: chain MQ residue 608 THR Chi-restraints excluded: chain MR residue 708 THR Chi-restraints excluded: chain MY residue 608 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 NG residue 8 THR Chi-restraints excluded: chain NJ residue 305 LYS Chi-restraints excluded: chain NN residue 708 THR Chi-restraints excluded: chain NO residue 5 LYS Chi-restraints excluded: chain NU residue 608 THR Chi-restraints excluded: chain NW residue 8 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 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 OV residue 302 CYS Chi-restraints excluded: chain OW residue 405 LYS Chi-restraints excluded: chain OZ residue 705 LYS Chi-restraints excluded: chain O1 residue 108 THR Chi-restraints excluded: chain O4 residue 405 LYS Chi-restraints excluded: chain O5 residue 505 LYS Chi-restraints excluded: chain O7 residue 705 LYS Chi-restraints excluded: chain O7 residue 708 THR Chi-restraints excluded: chain PF residue 708 THR Chi-restraints excluded: chain PG residue 5 LYS 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 QA residue 608 THR Chi-restraints excluded: chain QB residue 708 THR Chi-restraints excluded: chain QC residue 5 LYS Chi-restraints excluded: chain QO residue 408 THR Chi-restraints excluded: chain QQ residue 608 THR Chi-restraints excluded: chain QU residue 208 THR Chi-restraints excluded: chain QY residue 608 THR Chi-restraints excluded: chain QZ residue 708 THR Chi-restraints excluded: chain Q3 residue 305 LYS Chi-restraints excluded: chain Q6 residue 608 THR Chi-restraints excluded: chain RA residue 208 THR Chi-restraints excluded: chain RC residue 405 LYS Chi-restraints excluded: chain RM 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 R7 residue 305 LYS Chi-restraints excluded: chain R8 residue 405 LYS Chi-restraints excluded: chain SB residue 705 LYS Chi-restraints excluded: chain SC residue 8 THR Chi-restraints excluded: chain SD residue 108 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 SJ residue 705 LYS Chi-restraints excluded: chain SJ residue 708 THR Chi-restraints excluded: chain SK residue 8 THR Chi-restraints excluded: chain SM residue 205 LYS Chi-restraints excluded: chain SN residue 305 LYS Chi-restraints excluded: chain SO residue 405 LYS Chi-restraints excluded: chain SQ residue 608 THR Chi-restraints excluded: chain SR residue 705 LYS Chi-restraints excluded: chain SS residue 8 THR Chi-restraints excluded: chain SU residue 205 LYS Chi-restraints excluded: chain SX residue 505 LYS Chi-restraints excluded: chain SY residue 608 THR Chi-restraints excluded: chain S6 residue 608 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 TV residue 708 THR Chi-restraints excluded: chain TX residue 105 LYS Chi-restraints excluded: chain T2 residue 608 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 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=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1 random chunks: chunk 0 optimal weight: 5.9990 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: 0.8317 moved from start: 0.2389 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.052 0.345 63200 Z= 2.817 Angle : 2.790 30.931 84800 Z= 1.311 Chirality : 0.203 0.738 8000 Planarity : 0.014 0.047 7200 Dihedral : 11.375 35.185 8000 Min Nonbonded Distance : 1.665 Molprobity Statistics. All-atom Clashscore : 7.39 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Rotamer: Outliers : 6.79 % Allowed : 11.00 % Favored : 82.21 % Cbeta Deviations : 0.69 % 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: 1.18 (0.12), residues: 1600 helix: None (None), residues: 0 sheet: None (None), residues: 0 loop : 0.91 (0.09), residues: 1600 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.048 0.011 TYR a 403 *********************** 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 1064 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 326 poor density : 738 time to evaluate : 4.760 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: 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: E 402 CYS cc_start: 0.7001 (m) cc_final: 0.6654 (m) REVERT: F 502 CYS cc_start: 0.7069 (m) cc_final: 0.6677 (m) REVERT: M 402 CYS cc_start: 0.7098 (m) cc_final: 0.6589 (m) REVERT: R 105 LYS cc_start: 0.9085 (OUTLIER) cc_final: 0.8589 (mtpp) REVERT: U 402 CYS cc_start: 0.7010 (m) cc_final: 0.6631 (m) REVERT: q 402 CYS cc_start: 0.6933 (m) cc_final: 0.6440 (m) REVERT: AF 302 CYS cc_start: 0.6706 (m) cc_final: 0.6401 (m) REVERT: AG 405 LYS cc_start: 0.8986 (mtmt) cc_final: 0.8771 (mtmt) REVERT: AL 105 LYS cc_start: 0.9143 (OUTLIER) cc_final: 0.8912 (mttm) REVERT: A3 305 LYS cc_start: 0.9025 (OUTLIER) cc_final: 0.8806 (mttt) REVERT: BA 205 LYS cc_start: 0.8865 (OUTLIER) cc_final: 0.8664 (mttt) REVERT: BK 402 CYS cc_start: 0.6927 (m) cc_final: 0.6553 (m) REVERT: BN 705 LYS cc_start: 0.8746 (OUTLIER) cc_final: 0.8539 (mtmt) REVERT: BY 202 CYS cc_start: 0.6216 (m) cc_final: 0.5702 (m) REVERT: B7 302 CYS cc_start: 0.7193 (m) cc_final: 0.6627 (m) REVERT: B9 502 CYS cc_start: 0.6789 (m) cc_final: 0.6408 (m) REVERT: CE 202 CYS cc_start: 0.6582 (m) cc_final: 0.6163 (m) REVERT: CM 202 CYS cc_start: 0.7028 (m) cc_final: 0.6586 (m) REVERT: C3 302 CYS cc_start: 0.7008 (m) cc_final: 0.6696 (m) REVERT: DR 302 CYS cc_start: 0.6796 (m) cc_final: 0.6381 (m) REVERT: D0 402 CYS cc_start: 0.7141 (m) cc_final: 0.6606 (m) REVERT: D8 402 CYS cc_start: 0.7106 (m) cc_final: 0.6800 (m) REVERT: D9 502 CYS cc_start: 0.7059 (m) cc_final: 0.6722 (m) REVERT: EO 405 LYS cc_start: 0.9061 (OUTLIER) cc_final: 0.8461 (mtmm) REVERT: EZ 705 LYS cc_start: 0.8779 (OUTLIER) cc_final: 0.8180 (mtpt) REVERT: E4 405 LYS cc_start: 0.9103 (OUTLIER) cc_final: 0.8625 (mtmm) REVERT: FY 202 CYS cc_start: 0.6983 (m) cc_final: 0.6527 (m) REVERT: F6 202 CYS cc_start: 0.7066 (m) cc_final: 0.6594 (m) REVERT: F6 205 LYS cc_start: 0.9026 (OUTLIER) cc_final: 0.8804 (mttp) REVERT: F8 402 CYS cc_start: 0.7232 (m) cc_final: 0.6848 (m) REVERT: GG 405 LYS cc_start: 0.9118 (OUTLIER) cc_final: 0.8467 (mtmm) REVERT: GO 402 CYS cc_start: 0.7059 (m) cc_final: 0.6602 (m) REVERT: GW 402 CYS cc_start: 0.7125 (m) cc_final: 0.6843 (m) REVERT: GZ 708 THR cc_start: 0.8749 (p) cc_final: 0.8503 (p) REVERT: G0 5 LYS cc_start: 0.9011 (OUTLIER) cc_final: 0.8594 (mttp) REVERT: HC 402 CYS cc_start: 0.7168 (m) cc_final: 0.6820 (m) REVERT: HD 502 CYS cc_start: 0.7252 (m) cc_final: 0.6734 (m) REVERT: HE 605 LYS cc_start: 0.8848 (OUTLIER) cc_final: 0.8486 (mtmt) REVERT: HT 502 CYS cc_start: 0.7134 (m) cc_final: 0.6901 (m) REVERT: H3 705 LYS cc_start: 0.9039 (OUTLIER) cc_final: 0.8530 (mtmp) REVERT: H9 502 CYS cc_start: 0.7120 (m) cc_final: 0.6775 (m) REVERT: IJ 705 LYS cc_start: 0.8679 (OUTLIER) cc_final: 0.7993 (mtpt) REVERT: IM 202 CYS cc_start: 0.6512 (m) cc_final: 0.6160 (m) REVERT: IO 402 CYS cc_start: 0.7084 (m) cc_final: 0.6681 (m) REVERT: IO 405 LYS cc_start: 0.8983 (OUTLIER) cc_final: 0.8551 (mtmm) REVERT: IP 502 CYS cc_start: 0.7143 (m) cc_final: 0.6574 (m) REVERT: I4 402 CYS cc_start: 0.7110 (m) cc_final: 0.6707 (m) REVERT: JK 402 CYS cc_start: 0.7209 (m) cc_final: 0.6793 (m) REVERT: JO 5 LYS cc_start: 0.9005 (OUTLIER) cc_final: 0.8681 (mtpt) REVERT: JZ 302 CYS cc_start: 0.6944 (m) cc_final: 0.6611 (m) REVERT: J4 5 LYS cc_start: 0.9073 (OUTLIER) cc_final: 0.8787 (mttm) REVERT: J6 202 CYS cc_start: 0.6885 (m) cc_final: 0.6377 (m) REVERT: KG 402 CYS cc_start: 0.7093 (m) cc_final: 0.6552 (m) REVERT: KN 302 CYS cc_start: 0.6813 (m) cc_final: 0.6553 (m) REVERT: KO 405 LYS cc_start: 0.8964 (mtmt) cc_final: 0.8721 (mttp) REVERT: KQ 605 LYS cc_start: 0.8815 (OUTLIER) cc_final: 0.8161 (mtpt) REVERT: KW 405 LYS cc_start: 0.9015 (OUTLIER) cc_final: 0.8731 (mttp) REVERT: K5 502 CYS cc_start: 0.7043 (m) cc_final: 0.6687 (m) REVERT: K8 5 LYS cc_start: 0.8981 (OUTLIER) cc_final: 0.8733 (mttt) REVERT: LD 502 CYS cc_start: 0.7224 (m) cc_final: 0.6871 (m) REVERT: LN 705 LYS cc_start: 0.8865 (OUTLIER) cc_final: 0.8243 (mtpt) REVERT: LV 705 LYS cc_start: 0.8723 (mtmt) cc_final: 0.8483 (mtmt) REVERT: LY 205 LYS cc_start: 0.9048 (OUTLIER) cc_final: 0.8454 (mtmm) REVERT: L0 402 CYS cc_start: 0.7066 (m) cc_final: 0.6666 (m) REVERT: L6 202 CYS cc_start: 0.6709 (m) cc_final: 0.6257 (m) REVERT: L8 402 CYS cc_start: 0.7080 (m) cc_final: 0.6800 (m) REVERT: ME 202 CYS cc_start: 0.6334 (m) cc_final: 0.6018 (m) REVERT: NC 402 CYS cc_start: 0.6672 (m) cc_final: 0.6153 (m) REVERT: NO 5 LYS cc_start: 0.9034 (OUTLIER) cc_final: 0.8742 (mtmt) REVERT: NR 302 CYS cc_start: 0.6877 (m) cc_final: 0.6538 (m) REVERT: NS 402 CYS cc_start: 0.7010 (m) cc_final: 0.6741 (m) REVERT: NZ 302 CYS cc_start: 0.6778 (m) cc_final: 0.6433 (m) REVERT: N0 402 CYS cc_start: 0.7001 (m) cc_final: 0.6699 (m) REVERT: N7 302 CYS cc_start: 0.6799 (m) cc_final: 0.6362 (m) REVERT: OF 302 CYS cc_start: 0.6713 (m) cc_final: 0.6378 (m) REVERT: OG 402 CYS cc_start: 0.7114 (m) cc_final: 0.6706 (m) REVERT: OO 405 LYS cc_start: 0.9046 (OUTLIER) cc_final: 0.8726 (mtmm) REVERT: OR 705 LYS cc_start: 0.8991 (OUTLIER) cc_final: 0.8480 (mtmp) REVERT: OS 5 LYS cc_start: 0.9006 (OUTLIER) cc_final: 0.8740 (mtmt) REVERT: OU 202 CYS cc_start: 0.7029 (m) cc_final: 0.6431 (m) REVERT: OW 405 LYS cc_start: 0.9081 (OUTLIER) cc_final: 0.8831 (mtmm) REVERT: O1 105 LYS cc_start: 0.8941 (OUTLIER) cc_final: 0.8733 (mttp) REVERT: O2 202 CYS cc_start: 0.6870 (m) cc_final: 0.6391 (m) REVERT: O4 405 LYS cc_start: 0.9100 (OUTLIER) cc_final: 0.8508 (mtmm) REVERT: O7 705 LYS cc_start: 0.8688 (OUTLIER) cc_final: 0.8128 (mtpt) REVERT: O8 5 LYS cc_start: 0.8908 (mttt) cc_final: 0.8687 (mttt) REVERT: O9 105 LYS cc_start: 0.8723 (mttt) cc_final: 0.8502 (mttp) REVERT: PG 5 LYS cc_start: 0.9021 (OUTLIER) cc_final: 0.8231 (mmmm) REVERT: PY 202 CYS cc_start: 0.6867 (m) cc_final: 0.6486 (m) REVERT: P0 402 CYS cc_start: 0.7070 (m) cc_final: 0.6703 (m) REVERT: P1 502 CYS cc_start: 0.6856 (m) cc_final: 0.6570 (m) REVERT: QE 202 CYS cc_start: 0.6981 (m) cc_final: 0.6488 (m) REVERT: QM 202 CYS cc_start: 0.7004 (m) cc_final: 0.6561 (m) REVERT: Q4 402 CYS cc_start: 0.6749 (m) cc_final: 0.6247 (m) REVERT: RB 302 CYS cc_start: 0.6737 (m) cc_final: 0.6302 (m) REVERT: RM 605 LYS cc_start: 0.8856 (mtmt) cc_final: 0.8606 (mtmt) REVERT: RT 502 CYS cc_start: 0.7023 (m) cc_final: 0.6711 (m) REVERT: RY 202 CYS cc_start: 0.6886 (m) cc_final: 0.6319 (m) REVERT: R8 405 LYS cc_start: 0.9053 (OUTLIER) cc_final: 0.8384 (mtmm) REVERT: SB 705 LYS cc_start: 0.8968 (OUTLIER) cc_final: 0.8456 (mtmp) REVERT: SM 205 LYS cc_start: 0.8965 (OUTLIER) cc_final: 0.8748 (mttt) REVERT: SR 705 LYS cc_start: 0.8792 (OUTLIER) cc_final: 0.8299 (mtpt) REVERT: SU 205 LYS cc_start: 0.8973 (OUTLIER) cc_final: 0.8484 (mtmm) REVERT: S2 202 CYS cc_start: 0.6775 (m) cc_final: 0.6265 (m) REVERT: TA 202 CYS cc_start: 0.6659 (m) cc_final: 0.6389 (m) REVERT: TI 202 CYS cc_start: 0.6426 (m) cc_final: 0.5960 (m) REVERT: TX 105 LYS cc_start: 0.8927 (OUTLIER) cc_final: 0.8634 (mttt) REVERT: T0 405 LYS cc_start: 0.9056 (mttp) cc_final: 0.8817 (mttt) REVERT: T1 505 LYS cc_start: 0.9050 (mttt) cc_final: 0.8772 (mttt) REVERT: T5 105 LYS cc_start: 0.8977 (OUTLIER) cc_final: 0.8520 (mtpp) REVERT: UK 5 LYS cc_start: 0.9119 (OUTLIER) cc_final: 0.8836 (mtmt) outliers start: 326 outliers final: 252 residues processed: 915 average time/residue: 1.4475 time to fit residues: 1688.7014 Evaluate side-chains 992 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 291 poor density : 701 time to evaluate : 4.780 ------------------------------------------------------------------------------- Set rotamer restraints ********************** 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 208 THR Chi-restraints excluded: chain X residue 708 THR Chi-restraints excluded: chain 4 residue 608 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 d residue 708 THR Chi-restraints excluded: chain e residue 5 LYS Chi-restraints excluded: chain k residue 608 THR Chi-restraints excluded: chain m residue 8 THR Chi-restraints excluded: chain p residue 305 LYS Chi-restraints excluded: chain s residue 608 THR Chi-restraints excluded: chain AC residue 8 THR Chi-restraints excluded: chain AH residue 505 LYS Chi-restraints excluded: chain AI residue 608 THR Chi-restraints excluded: chain AK residue 8 THR Chi-restraints excluded: chain AL residue 105 LYS Chi-restraints excluded: chain AO residue 402 CYS Chi-restraints excluded: chain AR residue 708 THR Chi-restraints excluded: chain AS residue 8 THR Chi-restraints excluded: chain AV residue 305 LYS Chi-restraints excluded: chain A0 residue 8 THR Chi-restraints excluded: chain A3 residue 305 LYS Chi-restraints excluded: chain A4 residue 405 LYS Chi-restraints excluded: chain A5 residue 505 LYS Chi-restraints excluded: chain A7 residue 705 LYS Chi-restraints excluded: chain A7 residue 708 THR Chi-restraints excluded: chain A8 residue 8 THR Chi-restraints excluded: chain BA residue 205 LYS Chi-restraints excluded: chain BC residue 402 CYS Chi-restraints excluded: chain BF residue 705 LYS Chi-restraints excluded: chain BH residue 108 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 BP residue 108 THR Chi-restraints excluded: chain BX residue 108 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 B8 residue 408 THR Chi-restraints excluded: chain B9 residue 505 LYS Chi-restraints excluded: chain CA residue 608 THR Chi-restraints excluded: chain CB residue 708 THR Chi-restraints excluded: chain CI residue 608 THR Chi-restraints excluded: chain CL residue 105 LYS Chi-restraints excluded: chain CQ residue 608 THR Chi-restraints excluded: chain CY residue 608 THR Chi-restraints excluded: chain CZ residue 708 THR Chi-restraints excluded: chain C0 residue 8 THR Chi-restraints excluded: chain C4 residue 408 THR 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 DI residue 208 THR Chi-restraints excluded: chain DM residue 608 THR Chi-restraints excluded: chain DO residue 8 THR Chi-restraints excluded: chain DR residue 305 LYS Chi-restraints excluded: chain DS residue 402 CYS Chi-restraints excluded: chain DT residue 502 CYS Chi-restraints excluded: chain DV residue 705 LYS Chi-restraints excluded: chain DW residue 8 THR Chi-restraints excluded: chain DZ residue 305 LYS Chi-restraints excluded: chain D3 residue 705 LYS 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 EJ residue 705 LYS Chi-restraints excluded: chain EO residue 402 CYS Chi-restraints excluded: chain EO residue 405 LYS 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 E4 residue 405 LYS Chi-restraints excluded: chain E5 residue 505 LYS Chi-restraints excluded: chain E9 residue 108 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 FU residue 608 THR Chi-restraints excluded: chain FZ residue 306 VAL Chi-restraints excluded: chain F2 residue 608 THR Chi-restraints excluded: chain F6 residue 205 LYS Chi-restraints excluded: chain GA residue 608 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 GU residue 208 THR Chi-restraints excluded: chain GW residue 408 THR Chi-restraints excluded: chain GY residue 608 THR Chi-restraints excluded: chain G0 residue 5 LYS Chi-restraints excluded: chain G6 residue 608 THR Chi-restraints excluded: chain G7 residue 708 THR Chi-restraints excluded: chain G8 residue 5 LYS Chi-restraints excluded: chain G8 residue 8 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 HF residue 708 THR Chi-restraints excluded: chain HG residue 8 THR 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 HU residue 605 LYS Chi-restraints excluded: chain HU residue 608 THR Chi-restraints excluded: chain HV residue 705 LYS 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 H3 residue 705 LYS Chi-restraints excluded: chain H4 residue 8 THR 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 ID residue 108 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 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 IY residue 608 THR Chi-restraints excluded: chain IZ residue 708 THR Chi-restraints excluded: chain I7 residue 708 THR Chi-restraints excluded: chain I9 residue 108 THR Chi-restraints excluded: chain JM residue 608 THR Chi-restraints excluded: chain JN residue 705 LYS Chi-restraints excluded: chain JO residue 5 LYS Chi-restraints excluded: chain JR residue 305 LYS Chi-restraints excluded: chain J3 residue 708 THR Chi-restraints excluded: chain J4 residue 5 LYS Chi-restraints excluded: chain J4 residue 8 THR Chi-restraints excluded: chain J5 residue 105 LYS Chi-restraints excluded: chain KB residue 708 THR Chi-restraints excluded: chain KC residue 8 THR Chi-restraints excluded: chain KF residue 305 LYS Chi-restraints excluded: chain KG residue 408 THR Chi-restraints excluded: chain KI residue 608 THR Chi-restraints excluded: chain KJ residue 708 THR Chi-restraints excluded: chain KK residue 8 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 KW residue 405 LYS Chi-restraints excluded: chain K0 residue 8 THR Chi-restraints excluded: chain K3 residue 305 LYS Chi-restraints excluded: chain K4 residue 402 CYS Chi-restraints excluded: chain K6 residue 605 LYS 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 LC residue 402 CYS Chi-restraints excluded: chain LE residue 608 THR Chi-restraints excluded: chain LG residue 8 THR Chi-restraints excluded: chain LH residue 108 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 LQ residue 205 LYS 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 MH residue 505 LYS Chi-restraints excluded: chain MI residue 608 THR Chi-restraints excluded: chain MQ residue 608 THR Chi-restraints excluded: chain MR residue 708 THR Chi-restraints excluded: chain MY residue 608 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 NN residue 708 THR Chi-restraints excluded: chain NO residue 5 LYS Chi-restraints excluded: chain NU residue 608 THR Chi-restraints excluded: chain NW residue 8 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 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 OV residue 302 CYS Chi-restraints excluded: chain OW residue 405 LYS Chi-restraints excluded: chain OZ residue 705 LYS 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 O5 residue 505 LYS Chi-restraints excluded: chain O7 residue 705 LYS Chi-restraints excluded: chain O7 residue 708 THR Chi-restraints excluded: chain PF residue 708 THR Chi-restraints excluded: chain PG residue 5 LYS 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 PU residue 608 THR Chi-restraints excluded: chain QA residue 608 THR Chi-restraints excluded: chain QB residue 708 THR Chi-restraints excluded: chain QO residue 408 THR Chi-restraints excluded: chain QQ residue 608 THR Chi-restraints excluded: chain QS residue 8 THR Chi-restraints excluded: chain QY residue 608 THR Chi-restraints excluded: chain QZ residue 708 THR Chi-restraints excluded: chain Q6 residue 608 THR Chi-restraints excluded: chain RA residue 208 THR Chi-restraints excluded: chain RC residue 405 LYS Chi-restraints excluded: chain RM residue 608 THR 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 R7 residue 305 LYS Chi-restraints excluded: chain R8 residue 405 LYS Chi-restraints excluded: chain SB residue 705 LYS Chi-restraints excluded: chain SC residue 8 THR Chi-restraints excluded: chain SD residue 108 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 SM residue 205 LYS Chi-restraints excluded: chain SN residue 305 LYS Chi-restraints excluded: chain SO residue 405 LYS Chi-restraints excluded: chain SQ residue 608 THR Chi-restraints excluded: chain SR residue 705 LYS Chi-restraints excluded: chain SS residue 8 THR Chi-restraints excluded: chain SU residue 205 LYS Chi-restraints excluded: chain SY residue 608 THR Chi-restraints excluded: chain S6 residue 608 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 TV residue 708 THR Chi-restraints excluded: chain TX residue 105 LYS Chi-restraints excluded: chain T2 residue 608 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 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 UQ residue 608 THR 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: 5.9990 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: 0.8316 moved from start: 0.2396 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.052 0.240 63200 Z= 2.816 Angle : 2.791 27.307 84800 Z= 1.311 Chirality : 0.204 0.669 8000 Planarity : 0.014 0.046 7200 Dihedral : 11.374 35.004 8000 Min Nonbonded Distance : 1.661 Molprobity Statistics. All-atom Clashscore : 7.42 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Rotamer: Outliers : 7.12 % Allowed : 10.85 % Favored : 82.02 % Cbeta Deviations : 0.66 % 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: 1.18 (0.12), residues: 1600 helix: None (None), residues: 0 sheet: None (None), residues: 0 loop : 0.91 (0.09), residues: 1600 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.049 0.011 TYR a 403 *********************** 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 1080 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 342 poor density : 738 time to evaluate : 4.803 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: 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: E 402 CYS cc_start: 0.6994 (m) cc_final: 0.6649 (m) REVERT: F 502 CYS cc_start: 0.7068 (m) cc_final: 0.6675 (m) REVERT: M 402 CYS cc_start: 0.7099 (m) cc_final: 0.6594 (m) REVERT: R 105 LYS cc_start: 0.9083 (OUTLIER) cc_final: 0.8584 (mtpp) REVERT: q 402 CYS cc_start: 0.6937 (m) cc_final: 0.6447 (m) REVERT: AF 302 CYS cc_start: 0.6700 (m) cc_final: 0.6402 (m) REVERT: AG 405 LYS cc_start: 0.9027 (mtmt) cc_final: 0.8807 (mtmt) REVERT: A3 305 LYS cc_start: 0.9025 (OUTLIER) cc_final: 0.8805 (mttt) REVERT: BA 205 LYS cc_start: 0.8865 (OUTLIER) cc_final: 0.8665 (mttt) REVERT: BK 402 CYS cc_start: 0.6924 (m) cc_final: 0.6553 (m) REVERT: BN 705 LYS cc_start: 0.8746 (OUTLIER) cc_final: 0.8540 (mtmt) REVERT: BY 202 CYS cc_start: 0.6216 (m) cc_final: 0.5702 (m) REVERT: B7 302 CYS cc_start: 0.7190 (m) cc_final: 0.6628 (m) REVERT: B9 502 CYS cc_start: 0.6790 (m) cc_final: 0.6408 (m) REVERT: CE 202 CYS cc_start: 0.6585 (m) cc_final: 0.6167 (m) REVERT: CM 202 CYS cc_start: 0.7025 (m) cc_final: 0.6587 (m) REVERT: C3 302 CYS cc_start: 0.7008 (m) cc_final: 0.6697 (m) REVERT: DR 302 CYS cc_start: 0.6800 (m) cc_final: 0.6384 (m) REVERT: DY 202 CYS cc_start: 0.7215 (m) cc_final: 0.6744 (m) REVERT: D0 402 CYS cc_start: 0.7143 (m) cc_final: 0.6605 (m) REVERT: D8 402 CYS cc_start: 0.7094 (m) cc_final: 0.6780 (m) REVERT: D9 502 CYS cc_start: 0.7057 (m) cc_final: 0.6706 (m) REVERT: EO 405 LYS cc_start: 0.9063 (OUTLIER) cc_final: 0.8457 (mtmm) REVERT: EZ 705 LYS cc_start: 0.8781 (OUTLIER) cc_final: 0.8181 (mtpt) REVERT: E4 405 LYS cc_start: 0.9103 (OUTLIER) cc_final: 0.8642 (mtmm) REVERT: FY 202 CYS cc_start: 0.6983 (m) cc_final: 0.6528 (m) REVERT: F6 202 CYS cc_start: 0.7066 (m) cc_final: 0.6596 (m) REVERT: F6 205 LYS cc_start: 0.9028 (OUTLIER) cc_final: 0.8804 (mttp) REVERT: F8 402 CYS cc_start: 0.7232 (m) cc_final: 0.6849 (m) REVERT: GG 405 LYS cc_start: 0.9117 (OUTLIER) cc_final: 0.8469 (mtmm) REVERT: GO 402 CYS cc_start: 0.7058 (m) cc_final: 0.6606 (m) REVERT: GW 402 CYS cc_start: 0.7121 (m) cc_final: 0.6839 (m) REVERT: GZ 708 THR cc_start: 0.8770 (p) cc_final: 0.8538 (p) REVERT: G0 5 LYS cc_start: 0.9010 (OUTLIER) cc_final: 0.8601 (mttp) REVERT: HC 402 CYS cc_start: 0.7169 (m) cc_final: 0.6835 (m) REVERT: HE 605 LYS cc_start: 0.8846 (OUTLIER) cc_final: 0.8482 (mtmt) REVERT: HS 405 LYS cc_start: 0.9079 (OUTLIER) cc_final: 0.8618 (mtmm) REVERT: H3 705 LYS cc_start: 0.9037 (OUTLIER) cc_final: 0.8527 (mtmp) REVERT: H9 502 CYS cc_start: 0.7120 (m) cc_final: 0.6775 (m) REVERT: IE 202 CYS cc_start: 0.6639 (m) cc_final: 0.6258 (m) REVERT: IJ 705 LYS cc_start: 0.8678 (OUTLIER) cc_final: 0.7996 (mtpt) REVERT: IM 202 CYS cc_start: 0.6514 (m) cc_final: 0.6164 (m) REVERT: IO 402 CYS cc_start: 0.7083 (m) cc_final: 0.6679 (m) REVERT: IO 405 LYS cc_start: 0.8982 (OUTLIER) cc_final: 0.8548 (mtmm) REVERT: IP 502 CYS cc_start: 0.7144 (m) cc_final: 0.6571 (m) REVERT: IZ 705 LYS cc_start: 0.8885 (OUTLIER) cc_final: 0.8656 (mtmm) REVERT: I4 402 CYS cc_start: 0.7112 (m) cc_final: 0.6709 (m) REVERT: JO 5 LYS cc_start: 0.9006 (OUTLIER) cc_final: 0.8697 (mtpt) REVERT: JZ 302 CYS cc_start: 0.6945 (m) cc_final: 0.6616 (m) REVERT: J4 5 LYS cc_start: 0.9072 (OUTLIER) cc_final: 0.8773 (mttm) REVERT: J6 202 CYS cc_start: 0.6889 (m) cc_final: 0.6379 (m) REVERT: J8 402 CYS cc_start: 0.6926 (m) cc_final: 0.6527 (m) REVERT: KG 402 CYS cc_start: 0.7094 (m) cc_final: 0.6555 (m) REVERT: KO 405 LYS cc_start: 0.8962 (mtmt) cc_final: 0.8714 (mttp) REVERT: KQ 605 LYS cc_start: 0.8816 (OUTLIER) cc_final: 0.8161 (mtpt) REVERT: KW 405 LYS cc_start: 0.9018 (OUTLIER) cc_final: 0.8742 (mttp) REVERT: K5 502 CYS cc_start: 0.7041 (m) cc_final: 0.6688 (m) REVERT: K8 5 LYS cc_start: 0.9001 (OUTLIER) cc_final: 0.8760 (mttt) REVERT: LN 705 LYS cc_start: 0.8865 (OUTLIER) cc_final: 0.8241 (mtpt) REVERT: LR 302 CYS cc_start: 0.6932 (m) cc_final: 0.6518 (m) REVERT: LV 705 LYS cc_start: 0.8730 (mtmt) cc_final: 0.8484 (mtmt) REVERT: LY 205 LYS cc_start: 0.9045 (OUTLIER) cc_final: 0.8437 (mtmm) REVERT: L6 202 CYS cc_start: 0.6710 (m) cc_final: 0.6261 (m) REVERT: L8 402 CYS cc_start: 0.7081 (m) cc_final: 0.6802 (m) REVERT: ME 202 CYS cc_start: 0.6335 (m) cc_final: 0.6019 (m) REVERT: MU 205 LYS cc_start: 0.9030 (OUTLIER) cc_final: 0.8809 (mttp) REVERT: NC 402 CYS cc_start: 0.6671 (m) cc_final: 0.6154 (m) REVERT: NL 502 CYS cc_start: 0.7060 (m) cc_final: 0.6705 (m) REVERT: NO 5 LYS cc_start: 0.9031 (OUTLIER) cc_final: 0.8743 (mtmt) REVERT: NR 302 CYS cc_start: 0.6877 (m) cc_final: 0.6540 (m) REVERT: NZ 302 CYS cc_start: 0.6778 (m) cc_final: 0.6433 (m) REVERT: N0 402 CYS cc_start: 0.7004 (m) cc_final: 0.6700 (m) REVERT: N7 302 CYS cc_start: 0.6775 (m) cc_final: 0.6332 (m) REVERT: OF 302 CYS cc_start: 0.6714 (m) cc_final: 0.6377 (m) REVERT: OG 402 CYS cc_start: 0.7113 (m) cc_final: 0.6699 (m) REVERT: OO 405 LYS cc_start: 0.9047 (OUTLIER) cc_final: 0.8727 (mtmm) REVERT: OR 705 LYS cc_start: 0.8994 (OUTLIER) cc_final: 0.8482 (mtmp) REVERT: OS 5 LYS cc_start: 0.9004 (OUTLIER) cc_final: 0.8744 (mtmt) REVERT: OU 202 CYS cc_start: 0.7008 (m) cc_final: 0.6390 (m) REVERT: OW 405 LYS cc_start: 0.9081 (OUTLIER) cc_final: 0.8844 (mtmm) REVERT: O2 202 CYS cc_start: 0.6824 (m) cc_final: 0.6290 (m) REVERT: O4 405 LYS cc_start: 0.9100 (OUTLIER) cc_final: 0.8508 (mtmm) REVERT: O7 705 LYS cc_start: 0.8686 (OUTLIER) cc_final: 0.8128 (mtpt) REVERT: O8 5 LYS cc_start: 0.8911 (mttt) cc_final: 0.8687 (mttt) REVERT: O9 105 LYS cc_start: 0.8743 (mttt) cc_final: 0.8508 (mttp) REVERT: PG 5 LYS cc_start: 0.9030 (OUTLIER) cc_final: 0.8169 (mmmm) REVERT: PY 202 CYS cc_start: 0.6869 (m) cc_final: 0.6490 (m) REVERT: P0 402 CYS cc_start: 0.7009 (m) cc_final: 0.6648 (m) REVERT: P1 502 CYS cc_start: 0.6855 (m) cc_final: 0.6571 (m) REVERT: P8 402 CYS cc_start: 0.7216 (m) cc_final: 0.6608 (m) REVERT: QE 202 CYS cc_start: 0.6981 (m) cc_final: 0.6486 (m) REVERT: QM 202 CYS cc_start: 0.7004 (m) cc_final: 0.6562 (m) REVERT: Q4 402 CYS cc_start: 0.6752 (m) cc_final: 0.6247 (m) REVERT: RB 302 CYS cc_start: 0.6740 (m) cc_final: 0.6306 (m) REVERT: RM 605 LYS cc_start: 0.8854 (mtmt) cc_final: 0.8604 (mtmt) REVERT: RN 705 LYS cc_start: 0.8785 (OUTLIER) cc_final: 0.8578 (mtmt) REVERT: RT 502 CYS cc_start: 0.7024 (m) cc_final: 0.6712 (m) REVERT: RY 202 CYS cc_start: 0.6889 (m) cc_final: 0.6321 (m) REVERT: R8 405 LYS cc_start: 0.9054 (OUTLIER) cc_final: 0.8382 (mtmm) REVERT: SB 705 LYS cc_start: 0.8968 (OUTLIER) cc_final: 0.8456 (mtmp) REVERT: SM 205 LYS cc_start: 0.8965 (OUTLIER) cc_final: 0.8748 (mttt) REVERT: SR 705 LYS cc_start: 0.8795 (OUTLIER) cc_final: 0.8299 (mtpt) REVERT: SU 202 CYS cc_start: 0.6590 (m) cc_final: 0.6115 (m) REVERT: SU 205 LYS cc_start: 0.8969 (OUTLIER) cc_final: 0.8509 (mtmm) REVERT: S2 202 CYS cc_start: 0.6779 (m) cc_final: 0.6263 (m) REVERT: TA 202 CYS cc_start: 0.6662 (m) cc_final: 0.6393 (m) REVERT: TX 105 LYS cc_start: 0.8925 (OUTLIER) cc_final: 0.8634 (mttt) REVERT: T0 405 LYS cc_start: 0.9056 (mttp) cc_final: 0.8821 (mttt) REVERT: T1 505 LYS cc_start: 0.9053 (mttt) cc_final: 0.8770 (mttt) REVERT: T5 105 LYS cc_start: 0.8978 (OUTLIER) cc_final: 0.8521 (mtpp) REVERT: UK 5 LYS cc_start: 0.9120 (OUTLIER) cc_final: 0.8837 (mtmt) outliers start: 342 outliers final: 266 residues processed: 926 average time/residue: 1.5868 time to fit residues: 1913.4945 Evaluate side-chains 1010 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 307 poor density : 703 time to evaluate : 4.896 ------------------------------------------------------------------------------- Set rotamer restraints ********************** 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 208 THR Chi-restraints excluded: chain X residue 708 THR Chi-restraints excluded: chain 4 residue 608 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 d residue 708 THR Chi-restraints excluded: chain e residue 5 LYS Chi-restraints excluded: chain k residue 608 THR Chi-restraints excluded: chain m residue 8 THR Chi-restraints excluded: chain p residue 305 LYS Chi-restraints excluded: chain s residue 608 THR Chi-restraints excluded: chain AC residue 8 THR Chi-restraints excluded: chain AH residue 505 LYS Chi-restraints excluded: chain AI residue 608 THR Chi-restraints excluded: chain AK residue 8 THR Chi-restraints excluded: chain AO residue 402 CYS Chi-restraints excluded: chain AR residue 708 THR Chi-restraints excluded: chain AS residue 8 THR Chi-restraints excluded: chain AV residue 305 LYS Chi-restraints excluded: chain AW residue 402 CYS Chi-restraints excluded: chain A0 residue 8 THR Chi-restraints excluded: chain A3 residue 305 LYS Chi-restraints excluded: chain A4 residue 405 LYS Chi-restraints excluded: chain A5 residue 505 LYS Chi-restraints excluded: chain A7 residue 705 LYS Chi-restraints excluded: chain A7 residue 708 THR Chi-restraints excluded: chain A8 residue 8 THR Chi-restraints excluded: chain BA residue 205 LYS Chi-restraints excluded: chain BC residue 402 CYS Chi-restraints excluded: chain BF residue 705 LYS 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 BP residue 108 THR Chi-restraints excluded: chain BU residue 608 THR Chi-restraints excluded: chain BV residue 708 THR Chi-restraints excluded: chain BX residue 108 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 B9 residue 505 LYS Chi-restraints excluded: chain CA residue 608 THR Chi-restraints excluded: chain CB residue 708 THR Chi-restraints excluded: chain CI residue 608 THR Chi-restraints excluded: chain CL residue 105 LYS Chi-restraints excluded: chain CQ residue 608 THR Chi-restraints excluded: chain CV residue 308 THR Chi-restraints excluded: chain CY residue 608 THR Chi-restraints excluded: chain CZ residue 708 THR Chi-restraints excluded: chain C0 residue 8 THR Chi-restraints excluded: chain C4 residue 408 THR 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 DI residue 208 THR Chi-restraints excluded: chain DL residue 502 CYS Chi-restraints excluded: chain DM residue 608 THR Chi-restraints excluded: chain DO residue 8 THR Chi-restraints excluded: chain DR residue 305 LYS Chi-restraints excluded: chain DS residue 402 CYS Chi-restraints excluded: chain DT residue 502 CYS Chi-restraints excluded: chain DV residue 705 LYS Chi-restraints excluded: chain DW residue 8 THR Chi-restraints excluded: chain DZ residue 305 LYS 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 EJ residue 705 LYS Chi-restraints excluded: chain EO residue 405 LYS 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 E4 residue 405 LYS Chi-restraints excluded: chain E5 residue 505 LYS Chi-restraints excluded: chain E9 residue 108 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 FU residue 608 THR Chi-restraints excluded: chain FZ residue 306 VAL Chi-restraints excluded: chain F2 residue 608 THR Chi-restraints excluded: chain F6 residue 205 LYS Chi-restraints excluded: chain GA residue 608 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 GS residue 8 THR Chi-restraints excluded: chain GU residue 208 THR Chi-restraints excluded: chain GW residue 405 LYS Chi-restraints excluded: chain GW residue 408 THR Chi-restraints excluded: chain GY residue 608 THR Chi-restraints excluded: chain G0 residue 5 LYS Chi-restraints excluded: chain G0 residue 8 THR Chi-restraints excluded: chain G6 residue 608 THR Chi-restraints excluded: chain G7 residue 708 THR Chi-restraints excluded: chain G8 residue 5 LYS Chi-restraints excluded: chain G8 residue 8 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 HF residue 708 THR Chi-restraints excluded: chain HG residue 8 THR 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 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 H3 residue 705 LYS Chi-restraints excluded: chain H4 residue 8 THR 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 H9 residue 505 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 ID residue 108 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 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 IY residue 608 THR 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 I9 residue 108 THR Chi-restraints excluded: chain JM residue 608 THR Chi-restraints excluded: chain JN residue 705 LYS Chi-restraints excluded: chain JO residue 5 LYS Chi-restraints excluded: chain JR residue 305 LYS Chi-restraints excluded: chain J3 residue 708 THR Chi-restraints excluded: chain J4 residue 5 LYS Chi-restraints excluded: chain J5 residue 105 LYS Chi-restraints excluded: chain KB residue 708 THR Chi-restraints excluded: chain KC residue 8 THR Chi-restraints excluded: chain KG residue 408 THR Chi-restraints excluded: chain KI residue 608 THR Chi-restraints excluded: chain KJ residue 708 THR Chi-restraints excluded: chain KK residue 8 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 KW residue 405 LYS Chi-restraints excluded: chain K0 residue 8 THR Chi-restraints excluded: chain K3 residue 305 LYS Chi-restraints excluded: chain K4 residue 402 CYS Chi-restraints excluded: chain K6 residue 605 LYS 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 LC residue 402 CYS Chi-restraints excluded: chain LE residue 608 THR Chi-restraints excluded: chain LG residue 8 THR Chi-restraints excluded: chain LH residue 108 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 LQ residue 205 LYS 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 MH residue 505 LYS Chi-restraints excluded: chain MI residue 608 THR Chi-restraints excluded: chain MQ residue 608 THR Chi-restraints excluded: chain MR residue 708 THR Chi-restraints excluded: chain MU residue 205 LYS Chi-restraints excluded: chain MY residue 608 THR Chi-restraints excluded: chain MZ residue 708 THR Chi-restraints excluded: chain M6 residue 608 THR Chi-restraints excluded: chain M7 residue 708 THR Chi-restraints excluded: chain M9 residue 105 LYS Chi-restraints excluded: chain NF residue 708 THR Chi-restraints excluded: chain NG residue 8 THR Chi-restraints excluded: chain NJ residue 305 LYS Chi-restraints excluded: chain NN residue 708 THR Chi-restraints excluded: chain NO residue 5 LYS Chi-restraints excluded: chain NU residue 608 THR Chi-restraints excluded: chain NW residue 8 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 ON residue 305 LYS Chi-restraints excluded: chain OO residue 405 LYS 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 OV residue 302 CYS Chi-restraints excluded: chain OW residue 405 LYS Chi-restraints excluded: chain OZ residue 705 LYS Chi-restraints excluded: chain O1 residue 108 THR Chi-restraints excluded: chain O4 residue 405 LYS Chi-restraints excluded: chain O5 residue 505 LYS Chi-restraints excluded: chain O7 residue 705 LYS Chi-restraints excluded: chain O7 residue 708 THR Chi-restraints excluded: chain PF residue 708 THR Chi-restraints excluded: chain PG residue 5 LYS 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 PU residue 608 THR Chi-restraints excluded: chain QA residue 608 THR Chi-restraints excluded: chain QB residue 708 THR Chi-restraints excluded: chain QC residue 5 LYS Chi-restraints excluded: chain QO residue 408 THR Chi-restraints excluded: chain QQ residue 608 THR Chi-restraints excluded: chain QS residue 8 THR Chi-restraints excluded: chain QU residue 208 THR Chi-restraints excluded: chain QY residue 608 THR Chi-restraints excluded: chain QZ residue 708 THR Chi-restraints excluded: chain Q6 residue 608 THR Chi-restraints excluded: chain RA residue 208 THR Chi-restraints excluded: chain RC residue 405 LYS Chi-restraints excluded: chain RD residue 502 CYS Chi-restraints excluded: chain RM residue 608 THR Chi-restraints excluded: chain RN residue 705 LYS 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 R7 residue 305 LYS Chi-restraints excluded: chain R8 residue 405 LYS Chi-restraints excluded: chain SB residue 705 LYS Chi-restraints excluded: chain SC residue 8 THR Chi-restraints excluded: chain SD residue 108 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 SM residue 205 LYS Chi-restraints excluded: chain SN residue 305 LYS Chi-restraints excluded: chain SO residue 405 LYS Chi-restraints excluded: chain SQ residue 608 THR Chi-restraints excluded: chain SR residue 705 LYS Chi-restraints excluded: chain SS residue 8 THR Chi-restraints excluded: chain SU residue 205 LYS Chi-restraints excluded: chain SX residue 505 LYS Chi-restraints excluded: chain SY residue 608 THR Chi-restraints excluded: chain S6 residue 608 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 TV residue 708 THR Chi-restraints excluded: chain TX residue 105 LYS Chi-restraints excluded: chain T2 residue 608 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 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 UQ residue 608 THR 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: 5.9990 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: 0.8316 moved from start: 0.2401 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.052 0.280 63200 Z= 2.819 Angle : 2.798 27.917 84800 Z= 1.314 Chirality : 0.204 0.686 8000 Planarity : 0.014 0.047 7200 Dihedral : 11.375 35.022 8000 Min Nonbonded Distance : 1.652 Molprobity Statistics. All-atom Clashscore : 7.46 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Rotamer: Outliers : 6.92 % Allowed : 11.17 % Favored : 81.92 % Cbeta Deviations : 0.72 % 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: 1.18 (0.12), residues: 1600 helix: None (None), residues: 0 sheet: None (None), residues: 0 loop : 0.91 (0.09), residues: 1600 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.048 0.011 TYR a 403 *********************** 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 1064 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 332 poor density : 732 time to evaluate : 4.841 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: 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: E 402 CYS cc_start: 0.6998 (m) cc_final: 0.6650 (m) REVERT: F 502 CYS cc_start: 0.7067 (m) cc_final: 0.6676 (m) REVERT: M 402 CYS cc_start: 0.7095 (m) cc_final: 0.6588 (m) REVERT: R 105 LYS cc_start: 0.9084 (OUTLIER) cc_final: 0.8588 (mtpp) REVERT: U 402 CYS cc_start: 0.7071 (m) cc_final: 0.6745 (m) REVERT: q 402 CYS cc_start: 0.6936 (m) cc_final: 0.6445 (m) REVERT: AF 302 CYS cc_start: 0.6701 (m) cc_final: 0.6401 (m) REVERT: AG 405 LYS cc_start: 0.8998 (mtmt) cc_final: 0.8792 (mtmt) REVERT: AL 105 LYS cc_start: 0.9147 (OUTLIER) cc_final: 0.8869 (mttm) REVERT: A3 305 LYS cc_start: 0.9025 (OUTLIER) cc_final: 0.8805 (mttt) REVERT: BA 205 LYS cc_start: 0.8864 (OUTLIER) cc_final: 0.8664 (mttt) REVERT: BK 402 CYS cc_start: 0.6925 (m) cc_final: 0.6556 (m) REVERT: BN 705 LYS cc_start: 0.8745 (OUTLIER) cc_final: 0.8539 (mtmt) REVERT: BY 202 CYS cc_start: 0.6217 (m) cc_final: 0.5702 (m) REVERT: B7 302 CYS cc_start: 0.7192 (m) cc_final: 0.6630 (m) REVERT: B9 502 CYS cc_start: 0.6790 (m) cc_final: 0.6410 (m) REVERT: CE 202 CYS cc_start: 0.6584 (m) cc_final: 0.6167 (m) REVERT: CM 202 CYS cc_start: 0.7026 (m) cc_final: 0.6584 (m) REVERT: C3 302 CYS cc_start: 0.7008 (m) cc_final: 0.6698 (m) REVERT: DR 302 CYS cc_start: 0.6797 (m) cc_final: 0.6385 (m) REVERT: D0 402 CYS cc_start: 0.7140 (m) cc_final: 0.6602 (m) REVERT: D8 402 CYS cc_start: 0.7105 (m) cc_final: 0.6789 (m) REVERT: D9 502 CYS cc_start: 0.7059 (m) cc_final: 0.6708 (m) REVERT: EO 405 LYS cc_start: 0.9068 (OUTLIER) cc_final: 0.8474 (mtmm) REVERT: EZ 705 LYS cc_start: 0.8779 (OUTLIER) cc_final: 0.8179 (mtpt) REVERT: E4 405 LYS cc_start: 0.9102 (OUTLIER) cc_final: 0.8624 (mtmm) REVERT: FY 202 CYS cc_start: 0.6983 (m) cc_final: 0.6527 (m) REVERT: F6 202 CYS cc_start: 0.7067 (m) cc_final: 0.6596 (m) REVERT: F6 205 LYS cc_start: 0.9028 (OUTLIER) cc_final: 0.8802 (mttp) REVERT: F8 402 CYS cc_start: 0.7233 (m) cc_final: 0.6848 (m) REVERT: GG 405 LYS cc_start: 0.9119 (OUTLIER) cc_final: 0.8470 (mtmm) REVERT: GO 402 CYS cc_start: 0.7058 (m) cc_final: 0.6602 (m) REVERT: GW 402 CYS cc_start: 0.7120 (m) cc_final: 0.6833 (m) REVERT: GZ 708 THR cc_start: 0.8767 (p) cc_final: 0.8508 (p) REVERT: G0 5 LYS cc_start: 0.9011 (OUTLIER) cc_final: 0.8594 (mttp) REVERT: HC 402 CYS cc_start: 0.7171 (m) cc_final: 0.6819 (m) REVERT: HD 502 CYS cc_start: 0.7233 (m) cc_final: 0.6757 (m) REVERT: HE 605 LYS cc_start: 0.8850 (OUTLIER) cc_final: 0.8490 (mtmt) REVERT: H3 705 LYS cc_start: 0.9038 (OUTLIER) cc_final: 0.8510 (mtmp) REVERT: H9 502 CYS cc_start: 0.7121 (m) cc_final: 0.6775 (m) REVERT: IE 202 CYS cc_start: 0.6610 (m) cc_final: 0.6227 (m) REVERT: IJ 705 LYS cc_start: 0.8675 (OUTLIER) cc_final: 0.7996 (mtpt) REVERT: IM 202 CYS cc_start: 0.6511 (m) cc_final: 0.6159 (m) REVERT: IO 402 CYS cc_start: 0.7083 (m) cc_final: 0.6680 (m) REVERT: IO 405 LYS cc_start: 0.8984 (OUTLIER) cc_final: 0.8550 (mtmm) REVERT: IP 502 CYS cc_start: 0.7143 (m) cc_final: 0.6569 (m) REVERT: I4 402 CYS cc_start: 0.7112 (m) cc_final: 0.6708 (m) REVERT: JK 402 CYS cc_start: 0.7227 (m) cc_final: 0.6839 (m) REVERT: JO 5 LYS cc_start: 0.9005 (OUTLIER) cc_final: 0.8700 (mtpt) REVERT: JP 105 LYS cc_start: 0.9058 (OUTLIER) cc_final: 0.8584 (mtpp) REVERT: JZ 302 CYS cc_start: 0.6945 (m) cc_final: 0.6611 (m) REVERT: J4 5 LYS cc_start: 0.9074 (OUTLIER) cc_final: 0.8785 (mttm) REVERT: J6 202 CYS cc_start: 0.6886 (m) cc_final: 0.6378 (m) REVERT: KG 402 CYS cc_start: 0.7097 (m) cc_final: 0.6556 (m) REVERT: KO 405 LYS cc_start: 0.8966 (mtmt) cc_final: 0.8719 (mttp) REVERT: KQ 605 LYS cc_start: 0.8815 (OUTLIER) cc_final: 0.8159 (mtpt) REVERT: KW 405 LYS cc_start: 0.9016 (OUTLIER) cc_final: 0.8741 (mttp) REVERT: K5 502 CYS cc_start: 0.7042 (m) cc_final: 0.6687 (m) REVERT: K8 5 LYS cc_start: 0.8981 (OUTLIER) cc_final: 0.8746 (mttt) REVERT: LN 705 LYS cc_start: 0.8865 (OUTLIER) cc_final: 0.8240 (mtpt) REVERT: LY 205 LYS cc_start: 0.9044 (OUTLIER) cc_final: 0.8447 (mtmm) REVERT: L0 402 CYS cc_start: 0.7078 (m) cc_final: 0.6704 (m) REVERT: L6 202 CYS cc_start: 0.6709 (m) cc_final: 0.6259 (m) REVERT: L8 402 CYS cc_start: 0.7083 (m) cc_final: 0.6803 (m) REVERT: ME 202 CYS cc_start: 0.6335 (m) cc_final: 0.6020 (m) REVERT: MU 205 LYS cc_start: 0.9031 (OUTLIER) cc_final: 0.8809 (mttp) REVERT: NC 402 CYS cc_start: 0.6671 (m) cc_final: 0.6154 (m) REVERT: NO 5 LYS cc_start: 0.9033 (OUTLIER) cc_final: 0.8745 (mtmt) REVERT: NR 302 CYS cc_start: 0.6876 (m) cc_final: 0.6537 (m) REVERT: NZ 302 CYS cc_start: 0.6778 (m) cc_final: 0.6435 (m) REVERT: N0 402 CYS cc_start: 0.6979 (m) cc_final: 0.6679 (m) REVERT: N6 202 CYS cc_start: 0.6977 (m) cc_final: 0.6536 (m) REVERT: N7 302 CYS cc_start: 0.6774 (m) cc_final: 0.6328 (m) REVERT: OE 202 CYS cc_start: 0.7064 (m) cc_final: 0.6605 (m) REVERT: OF 302 CYS cc_start: 0.6715 (m) cc_final: 0.6377 (m) REVERT: OG 402 CYS cc_start: 0.7116 (m) cc_final: 0.6706 (m) REVERT: OO 405 LYS cc_start: 0.9046 (OUTLIER) cc_final: 0.8727 (mtmm) REVERT: OR 705 LYS cc_start: 0.8991 (OUTLIER) cc_final: 0.8481 (mtmp) REVERT: OS 5 LYS cc_start: 0.9001 (OUTLIER) cc_final: 0.8740 (mtmt) REVERT: OW 405 LYS cc_start: 0.9083 (OUTLIER) cc_final: 0.8846 (mtmm) REVERT: O2 202 CYS cc_start: 0.6853 (m) cc_final: 0.6364 (m) REVERT: O4 405 LYS cc_start: 0.9099 (OUTLIER) cc_final: 0.8507 (mtmm) REVERT: O7 705 LYS cc_start: 0.8687 (OUTLIER) cc_final: 0.8128 (mtpt) REVERT: O8 5 LYS cc_start: 0.8911 (mttt) cc_final: 0.8687 (mttt) REVERT: O9 105 LYS cc_start: 0.8728 (mttt) cc_final: 0.8492 (mttp) REVERT: PG 5 LYS cc_start: 0.9025 (OUTLIER) cc_final: 0.8216 (mmmm) REVERT: PY 202 CYS cc_start: 0.6867 (m) cc_final: 0.6487 (m) REVERT: P0 402 CYS cc_start: 0.7070 (m) cc_final: 0.6703 (m) REVERT: P1 502 CYS cc_start: 0.6856 (m) cc_final: 0.6572 (m) REVERT: QE 202 CYS cc_start: 0.6984 (m) cc_final: 0.6487 (m) REVERT: QM 202 CYS cc_start: 0.7001 (m) cc_final: 0.6559 (m) REVERT: Q4 402 CYS cc_start: 0.6752 (m) cc_final: 0.6244 (m) REVERT: RB 302 CYS cc_start: 0.6740 (m) cc_final: 0.6303 (m) REVERT: RM 605 LYS cc_start: 0.8869 (mtmt) cc_final: 0.8595 (mtmt) REVERT: RN 705 LYS cc_start: 0.8785 (OUTLIER) cc_final: 0.8578 (mtmt) REVERT: RT 502 CYS cc_start: 0.7024 (m) cc_final: 0.6709 (m) REVERT: RY 202 CYS cc_start: 0.6889 (m) cc_final: 0.6319 (m) REVERT: R1 502 CYS cc_start: 0.7374 (m) cc_final: 0.6963 (m) REVERT: R8 405 LYS cc_start: 0.9053 (OUTLIER) cc_final: 0.8383 (mtmm) REVERT: SB 705 LYS cc_start: 0.8968 (OUTLIER) cc_final: 0.8457 (mtmp) REVERT: SM 205 LYS cc_start: 0.8965 (OUTLIER) cc_final: 0.8748 (mttt) REVERT: SR 705 LYS cc_start: 0.8793 (OUTLIER) cc_final: 0.8297 (mtpt) REVERT: SU 202 CYS cc_start: 0.6585 (m) cc_final: 0.6119 (m) REVERT: SU 205 LYS cc_start: 0.8974 (OUTLIER) cc_final: 0.8297 (mtmm) REVERT: S2 202 CYS cc_start: 0.6778 (m) cc_final: 0.6265 (m) REVERT: TA 202 CYS cc_start: 0.6658 (m) cc_final: 0.6389 (m) REVERT: TI 202 CYS cc_start: 0.6535 (m) cc_final: 0.6122 (m) REVERT: TX 105 LYS cc_start: 0.8926 (OUTLIER) cc_final: 0.8615 (mttt) REVERT: T0 405 LYS cc_start: 0.9055 (mttp) cc_final: 0.8824 (mttt) REVERT: T1 505 LYS cc_start: 0.9059 (mttt) cc_final: 0.8783 (mttt) REVERT: T5 105 LYS cc_start: 0.8976 (OUTLIER) cc_final: 0.8516 (mtpp) REVERT: UK 5 LYS cc_start: 0.9120 (OUTLIER) cc_final: 0.8838 (mtmt) outliers start: 332 outliers final: 268 residues processed: 913 average time/residue: 1.4662 time to fit residues: 1707.9046 Evaluate side-chains 1007 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 309 poor density : 698 time to evaluate : 4.764 ------------------------------------------------------------------------------- Set rotamer restraints ********************** 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 208 THR Chi-restraints excluded: chain X residue 708 THR Chi-restraints excluded: chain 4 residue 608 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 d residue 708 THR Chi-restraints excluded: chain e residue 5 LYS Chi-restraints excluded: chain k residue 608 THR Chi-restraints excluded: chain m residue 8 THR Chi-restraints excluded: chain p residue 305 LYS Chi-restraints excluded: chain s residue 608 THR Chi-restraints excluded: chain AC residue 8 THR Chi-restraints excluded: chain AH residue 505 LYS Chi-restraints excluded: chain AI residue 608 THR Chi-restraints excluded: chain AK residue 8 THR Chi-restraints excluded: chain AL residue 105 LYS Chi-restraints excluded: chain AO residue 402 CYS Chi-restraints excluded: chain AR residue 708 THR Chi-restraints excluded: chain AS residue 8 THR Chi-restraints excluded: chain AV residue 305 LYS Chi-restraints excluded: chain A0 residue 8 THR Chi-restraints excluded: chain A3 residue 305 LYS Chi-restraints excluded: chain A4 residue 405 LYS Chi-restraints excluded: chain A5 residue 505 LYS Chi-restraints excluded: chain A7 residue 705 LYS Chi-restraints excluded: chain A7 residue 708 THR Chi-restraints excluded: chain A8 residue 8 THR Chi-restraints excluded: chain BA residue 205 LYS Chi-restraints excluded: chain BC residue 402 CYS Chi-restraints excluded: chain BF residue 705 LYS Chi-restraints excluded: chain BH residue 108 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 BP residue 108 THR Chi-restraints excluded: chain BV residue 708 THR Chi-restraints excluded: chain BX residue 108 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 B8 residue 408 THR Chi-restraints excluded: chain B9 residue 505 LYS Chi-restraints excluded: chain CA residue 608 THR Chi-restraints excluded: chain CB residue 708 THR Chi-restraints excluded: chain CI residue 608 THR Chi-restraints excluded: chain CL residue 105 LYS Chi-restraints excluded: chain CM residue 205 LYS Chi-restraints excluded: chain CQ residue 608 THR Chi-restraints excluded: chain CV residue 308 THR Chi-restraints excluded: chain CY residue 608 THR Chi-restraints excluded: chain CZ residue 708 THR Chi-restraints excluded: chain C0 residue 8 THR Chi-restraints excluded: chain C4 residue 408 THR 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 DI residue 208 THR Chi-restraints excluded: chain DL residue 502 CYS Chi-restraints excluded: chain DM residue 608 THR Chi-restraints excluded: chain DO residue 8 THR Chi-restraints excluded: chain DR residue 305 LYS Chi-restraints excluded: chain DS residue 402 CYS Chi-restraints excluded: chain DT residue 502 CYS Chi-restraints excluded: chain DV residue 705 LYS Chi-restraints excluded: chain DW residue 8 THR Chi-restraints excluded: chain DZ residue 305 LYS 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 EJ residue 705 LYS Chi-restraints excluded: chain EO residue 402 CYS Chi-restraints excluded: chain EO residue 405 LYS Chi-restraints excluded: chain ES residue 5 LYS Chi-restraints excluded: chain ES residue 8 THR 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 E4 residue 405 LYS Chi-restraints excluded: chain E5 residue 505 LYS Chi-restraints excluded: chain E6 residue 608 THR Chi-restraints excluded: chain E9 residue 108 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 FU residue 608 THR Chi-restraints excluded: chain FZ residue 306 VAL Chi-restraints excluded: chain F2 residue 608 THR Chi-restraints excluded: chain F6 residue 205 LYS Chi-restraints excluded: chain GA residue 608 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 GQ residue 605 LYS Chi-restraints excluded: chain GU residue 208 THR Chi-restraints excluded: chain GW residue 408 THR Chi-restraints excluded: chain GY residue 608 THR Chi-restraints excluded: chain G0 residue 5 LYS Chi-restraints excluded: chain G0 residue 8 THR Chi-restraints excluded: chain G6 residue 608 THR Chi-restraints excluded: chain G7 residue 708 THR Chi-restraints excluded: chain G8 residue 5 LYS Chi-restraints excluded: chain G8 residue 8 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 HF residue 708 THR Chi-restraints excluded: chain HG residue 8 THR 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 HU residue 605 LYS Chi-restraints excluded: chain HU residue 608 THR Chi-restraints excluded: chain HV residue 705 LYS 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 H3 residue 705 LYS Chi-restraints excluded: chain H4 residue 8 THR 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 ID residue 108 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 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 IY residue 608 THR Chi-restraints excluded: chain IZ residue 708 THR Chi-restraints excluded: chain I7 residue 708 THR Chi-restraints excluded: chain I9 residue 108 THR Chi-restraints excluded: chain JG residue 5 LYS Chi-restraints excluded: chain JM residue 608 THR Chi-restraints excluded: chain JN residue 705 LYS Chi-restraints excluded: chain JO residue 5 LYS Chi-restraints excluded: chain JP residue 105 LYS Chi-restraints excluded: chain JR residue 305 LYS Chi-restraints excluded: chain J3 residue 708 THR Chi-restraints excluded: chain J4 residue 5 LYS Chi-restraints excluded: chain J4 residue 8 THR Chi-restraints excluded: chain J5 residue 105 LYS Chi-restraints excluded: chain KB residue 708 THR Chi-restraints excluded: chain KC residue 8 THR Chi-restraints excluded: chain KG residue 408 THR Chi-restraints excluded: chain KI residue 608 THR Chi-restraints excluded: chain KJ residue 708 THR Chi-restraints excluded: chain KK residue 8 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 KW residue 405 LYS Chi-restraints excluded: chain K0 residue 8 THR Chi-restraints excluded: chain K3 residue 305 LYS Chi-restraints excluded: chain K4 residue 402 CYS Chi-restraints excluded: chain K6 residue 605 LYS 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 LC residue 402 CYS Chi-restraints excluded: chain LE residue 608 THR Chi-restraints excluded: chain LG residue 8 THR Chi-restraints excluded: chain LH residue 108 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 LQ residue 205 LYS 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 MH residue 505 LYS Chi-restraints excluded: chain MI residue 608 THR Chi-restraints excluded: chain MQ residue 608 THR Chi-restraints excluded: chain MR residue 708 THR Chi-restraints excluded: chain MU residue 205 LYS Chi-restraints excluded: chain MY residue 608 THR Chi-restraints excluded: chain MZ residue 708 THR Chi-restraints excluded: chain M6 residue 608 THR Chi-restraints excluded: chain M7 residue 708 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 NN residue 708 THR Chi-restraints excluded: chain NO residue 5 LYS Chi-restraints excluded: chain NU residue 608 THR Chi-restraints excluded: chain NW residue 8 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 ON residue 305 LYS Chi-restraints excluded: chain OO residue 405 LYS 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 OV residue 302 CYS Chi-restraints excluded: chain OW residue 405 LYS Chi-restraints excluded: chain OZ residue 705 LYS Chi-restraints excluded: chain O1 residue 108 THR Chi-restraints excluded: chain O4 residue 402 CYS Chi-restraints excluded: chain O4 residue 405 LYS Chi-restraints excluded: chain O5 residue 505 LYS Chi-restraints excluded: chain O7 residue 705 LYS Chi-restraints excluded: chain O7 residue 708 THR Chi-restraints excluded: chain PF residue 708 THR Chi-restraints excluded: chain PG residue 5 LYS 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 PU residue 608 THR Chi-restraints excluded: chain P2 residue 608 THR Chi-restraints excluded: chain QA residue 608 THR Chi-restraints excluded: chain QB residue 708 THR Chi-restraints excluded: chain QO residue 408 THR Chi-restraints excluded: chain QQ residue 608 THR Chi-restraints excluded: chain QS residue 8 THR Chi-restraints excluded: chain QU residue 208 THR Chi-restraints excluded: chain QY residue 608 THR Chi-restraints excluded: chain QZ residue 708 THR Chi-restraints excluded: chain Q3 residue 305 LYS Chi-restraints excluded: chain Q6 residue 608 THR Chi-restraints excluded: chain RA residue 208 THR Chi-restraints excluded: chain RC residue 405 LYS Chi-restraints excluded: chain RD residue 502 CYS Chi-restraints excluded: chain RM residue 608 THR Chi-restraints excluded: chain RN residue 705 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 R7 residue 305 LYS Chi-restraints excluded: chain R8 residue 405 LYS Chi-restraints excluded: chain SB residue 705 LYS Chi-restraints excluded: chain SC residue 8 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 SM residue 205 LYS Chi-restraints excluded: chain SN residue 305 LYS Chi-restraints excluded: chain SO residue 405 LYS Chi-restraints excluded: chain SQ residue 608 THR Chi-restraints excluded: chain SR residue 705 LYS Chi-restraints excluded: chain SS residue 8 THR Chi-restraints excluded: chain SU residue 205 LYS Chi-restraints excluded: chain SX residue 505 LYS Chi-restraints excluded: chain SY residue 608 THR Chi-restraints excluded: chain S5 residue 505 LYS Chi-restraints excluded: chain S6 residue 608 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 TV residue 708 THR Chi-restraints excluded: chain TX residue 105 LYS Chi-restraints excluded: chain T2 residue 608 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 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 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: 5.9990 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: 0.8316 moved from start: 0.2405 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.052 0.242 63200 Z= 2.818 Angle : 2.800 27.632 84800 Z= 1.314 Chirality : 0.204 0.671 8000 Planarity : 0.014 0.046 7200 Dihedral : 11.379 35.016 8000 Min Nonbonded Distance : 1.646 Molprobity Statistics. All-atom Clashscore : 7.36 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Rotamer: Outliers : 6.83 % Allowed : 11.67 % Favored : 81.50 % Cbeta Deviations : 0.66 % 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: 1.18 (0.12), residues: 1600 helix: None (None), residues: 0 sheet: None (None), residues: 0 loop : 0.91 (0.09), residues: 1600 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.048 0.011 TYR a 403 *********************** 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 1052 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 328 poor density : 724 time to evaluate : 5.918 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: 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: E 402 CYS cc_start: 0.6997 (m) cc_final: 0.6650 (m) REVERT: F 502 CYS cc_start: 0.7067 (m) cc_final: 0.6677 (m) REVERT: M 402 CYS cc_start: 0.7099 (m) cc_final: 0.6594 (m) REVERT: R 105 LYS cc_start: 0.9085 (OUTLIER) cc_final: 0.8587 (mtpp) REVERT: q 402 CYS cc_start: 0.6936 (m) cc_final: 0.6448 (m) REVERT: AF 302 CYS cc_start: 0.6700 (m) cc_final: 0.6400 (m) REVERT: AG 405 LYS cc_start: 0.9021 (mtmt) cc_final: 0.8811 (mtmt) REVERT: AL 105 LYS cc_start: 0.9139 (OUTLIER) cc_final: 0.8913 (mttm) REVERT: A3 305 LYS cc_start: 0.9026 (OUTLIER) cc_final: 0.8804 (mttt) REVERT: BK 402 CYS cc_start: 0.6924 (m) cc_final: 0.6555 (m) REVERT: BN 705 LYS cc_start: 0.8744 (OUTLIER) cc_final: 0.8540 (mtmt) REVERT: BY 202 CYS cc_start: 0.6217 (m) cc_final: 0.5702 (m) REVERT: B7 302 CYS cc_start: 0.7190 (m) cc_final: 0.6629 (m) REVERT: B9 502 CYS cc_start: 0.6791 (m) cc_final: 0.6411 (m) REVERT: CE 202 CYS cc_start: 0.6585 (m) cc_final: 0.6169 (m) REVERT: CM 202 CYS cc_start: 0.7024 (m) cc_final: 0.6584 (m) REVERT: C3 302 CYS cc_start: 0.7007 (m) cc_final: 0.6692 (m) REVERT: DR 302 CYS cc_start: 0.6799 (m) cc_final: 0.6386 (m) REVERT: D0 402 CYS cc_start: 0.7142 (m) cc_final: 0.6602 (m) REVERT: D8 402 CYS cc_start: 0.7097 (m) cc_final: 0.6781 (m) REVERT: D9 502 CYS cc_start: 0.7055 (m) cc_final: 0.6704 (m) REVERT: EO 405 LYS cc_start: 0.9061 (OUTLIER) cc_final: 0.8453 (mtmm) REVERT: EZ 705 LYS cc_start: 0.8778 (OUTLIER) cc_final: 0.8179 (mtpt) REVERT: E4 405 LYS cc_start: 0.9102 (OUTLIER) cc_final: 0.8623 (mtmm) REVERT: FY 202 CYS cc_start: 0.6980 (m) cc_final: 0.6528 (m) REVERT: F6 202 CYS cc_start: 0.7066 (m) cc_final: 0.6596 (m) REVERT: F6 205 LYS cc_start: 0.9028 (OUTLIER) cc_final: 0.8803 (mttp) REVERT: F8 402 CYS cc_start: 0.7234 (m) cc_final: 0.6851 (m) REVERT: GG 405 LYS cc_start: 0.9118 (OUTLIER) cc_final: 0.8468 (mtmm) REVERT: GO 402 CYS cc_start: 0.7058 (m) cc_final: 0.6603 (m) REVERT: GW 402 CYS cc_start: 0.7119 (m) cc_final: 0.6834 (m) REVERT: GZ 708 THR cc_start: 0.8764 (p) cc_final: 0.8506 (p) REVERT: G0 5 LYS cc_start: 0.9010 (OUTLIER) cc_final: 0.8601 (mttp) REVERT: HC 402 CYS cc_start: 0.7173 (m) cc_final: 0.6833 (m) REVERT: HE 605 LYS cc_start: 0.8848 (OUTLIER) cc_final: 0.8486 (mtmt) REVERT: HS 405 LYS cc_start: 0.9078 (OUTLIER) cc_final: 0.8620 (mtmm) REVERT: H3 705 LYS cc_start: 0.9038 (OUTLIER) cc_final: 0.8511 (mtmp) REVERT: H9 502 CYS cc_start: 0.7121 (m) cc_final: 0.6773 (m) REVERT: IE 202 CYS cc_start: 0.6615 (m) cc_final: 0.6212 (m) REVERT: IJ 705 LYS cc_start: 0.8674 (OUTLIER) cc_final: 0.7997 (mtpt) REVERT: IM 202 CYS cc_start: 0.6512 (m) cc_final: 0.6159 (m) REVERT: IO 402 CYS cc_start: 0.7084 (m) cc_final: 0.6682 (m) REVERT: IO 405 LYS cc_start: 0.8984 (OUTLIER) cc_final: 0.8550 (mtmm) REVERT: IP 502 CYS cc_start: 0.7143 (m) cc_final: 0.6572 (m) REVERT: I4 402 CYS cc_start: 0.7109 (m) cc_final: 0.6709 (m) REVERT: JO 5 LYS cc_start: 0.9005 (OUTLIER) cc_final: 0.8700 (mtpt) REVERT: JP 105 LYS cc_start: 0.9088 (OUTLIER) cc_final: 0.8608 (mtpp) REVERT: JZ 302 CYS cc_start: 0.6944 (m) cc_final: 0.6618 (m) REVERT: J4 5 LYS cc_start: 0.9069 (OUTLIER) cc_final: 0.8779 (mttm) REVERT: J6 202 CYS cc_start: 0.6892 (m) cc_final: 0.6379 (m) REVERT: KG 402 CYS cc_start: 0.7095 (m) cc_final: 0.6558 (m) REVERT: KO 405 LYS cc_start: 0.8965 (mtmt) cc_final: 0.8719 (mttp) REVERT: KQ 605 LYS cc_start: 0.8817 (OUTLIER) cc_final: 0.8161 (mtpt) REVERT: KW 405 LYS cc_start: 0.9017 (OUTLIER) cc_final: 0.8741 (mttp) REVERT: K5 502 CYS cc_start: 0.7043 (m) cc_final: 0.6688 (m) REVERT: K8 5 LYS cc_start: 0.9001 (OUTLIER) cc_final: 0.8740 (mttt) REVERT: LN 705 LYS cc_start: 0.8864 (OUTLIER) cc_final: 0.8240 (mtpt) REVERT: LY 205 LYS cc_start: 0.9045 (OUTLIER) cc_final: 0.8447 (mtmm) REVERT: L6 202 CYS cc_start: 0.6706 (m) cc_final: 0.6259 (m) REVERT: L8 402 CYS cc_start: 0.7085 (m) cc_final: 0.6804 (m) REVERT: ME 202 CYS cc_start: 0.6332 (m) cc_final: 0.6019 (m) REVERT: MU 205 LYS cc_start: 0.9031 (OUTLIER) cc_final: 0.8811 (mttp) REVERT: NC 402 CYS cc_start: 0.6673 (m) cc_final: 0.6154 (m) REVERT: NI 202 CYS cc_start: 0.7098 (m) cc_final: 0.6625 (m) REVERT: NO 5 LYS cc_start: 0.9032 (OUTLIER) cc_final: 0.8744 (mtmt) REVERT: NR 302 CYS cc_start: 0.6879 (m) cc_final: 0.6541 (m) REVERT: NZ 302 CYS cc_start: 0.6776 (m) cc_final: 0.6434 (m) REVERT: N0 402 CYS cc_start: 0.7002 (m) cc_final: 0.6699 (m) REVERT: N7 302 CYS cc_start: 0.6774 (m) cc_final: 0.6329 (m) REVERT: OF 302 CYS cc_start: 0.6713 (m) cc_final: 0.6373 (m) REVERT: OG 402 CYS cc_start: 0.7113 (m) cc_final: 0.6701 (m) REVERT: OO 405 LYS cc_start: 0.9047 (OUTLIER) cc_final: 0.8726 (mtmm) REVERT: OR 705 LYS cc_start: 0.8993 (OUTLIER) cc_final: 0.8481 (mtmp) REVERT: OS 5 LYS cc_start: 0.9005 (OUTLIER) cc_final: 0.8745 (mtmt) REVERT: OU 202 CYS cc_start: 0.7022 (m) cc_final: 0.6361 (m) REVERT: OW 405 LYS cc_start: 0.9083 (OUTLIER) cc_final: 0.8847 (mtmm) REVERT: O2 202 CYS cc_start: 0.6832 (m) cc_final: 0.6313 (m) REVERT: O4 405 LYS cc_start: 0.9099 (OUTLIER) cc_final: 0.8507 (mtmm) REVERT: O7 705 LYS cc_start: 0.8686 (OUTLIER) cc_final: 0.8128 (mtpt) REVERT: O8 5 LYS cc_start: 0.8914 (mttt) cc_final: 0.8692 (mttt) REVERT: O9 105 LYS cc_start: 0.8745 (mttt) cc_final: 0.8507 (mttp) REVERT: PG 5 LYS cc_start: 0.9028 (OUTLIER) cc_final: 0.8197 (mmmm) REVERT: P0 402 CYS cc_start: 0.7068 (m) cc_final: 0.6700 (m) REVERT: P1 502 CYS cc_start: 0.6858 (m) cc_final: 0.6572 (m) REVERT: P8 402 CYS cc_start: 0.7220 (m) cc_final: 0.6619 (m) REVERT: QE 202 CYS cc_start: 0.6982 (m) cc_final: 0.6487 (m) REVERT: QM 202 CYS cc_start: 0.7005 (m) cc_final: 0.6561 (m) REVERT: Q4 402 CYS cc_start: 0.6754 (m) cc_final: 0.6247 (m) REVERT: RB 302 CYS cc_start: 0.6739 (m) cc_final: 0.6306 (m) REVERT: RK 405 LYS cc_start: 0.9066 (OUTLIER) cc_final: 0.8634 (mttp) REVERT: RM 605 LYS cc_start: 0.8865 (mtmt) cc_final: 0.8589 (mtmt) REVERT: RN 705 LYS cc_start: 0.8786 (OUTLIER) cc_final: 0.8579 (mtmt) REVERT: RT 502 CYS cc_start: 0.7024 (m) cc_final: 0.6710 (m) REVERT: RY 202 CYS cc_start: 0.6890 (m) cc_final: 0.6320 (m) REVERT: R8 405 LYS cc_start: 0.9054 (OUTLIER) cc_final: 0.8383 (mtmm) REVERT: SB 705 LYS cc_start: 0.8968 (OUTLIER) cc_final: 0.8455 (mtmp) REVERT: SM 205 LYS cc_start: 0.8964 (OUTLIER) cc_final: 0.8747 (mttt) REVERT: SR 705 LYS cc_start: 0.8795 (OUTLIER) cc_final: 0.8300 (mtpt) REVERT: SU 202 CYS cc_start: 0.6579 (m) cc_final: 0.6077 (m) REVERT: SU 205 LYS cc_start: 0.8969 (OUTLIER) cc_final: 0.8285 (mtmm) REVERT: S2 202 CYS cc_start: 0.6775 (m) cc_final: 0.6262 (m) REVERT: TA 202 CYS cc_start: 0.6659 (m) cc_final: 0.6389 (m) REVERT: TI 202 CYS cc_start: 0.6431 (m) cc_final: 0.6005 (m) REVERT: TX 105 LYS cc_start: 0.8928 (OUTLIER) cc_final: 0.8611 (mttt) REVERT: T0 405 LYS cc_start: 0.9056 (mttp) cc_final: 0.8824 (mttt) REVERT: T1 505 LYS cc_start: 0.9057 (mttt) cc_final: 0.8780 (mttt) REVERT: T5 105 LYS cc_start: 0.8975 (OUTLIER) cc_final: 0.8516 (mtpp) REVERT: UK 5 LYS cc_start: 0.9120 (OUTLIER) cc_final: 0.8839 (mtmt) outliers start: 328 outliers final: 271 residues processed: 904 average time/residue: 1.5620 time to fit residues: 1808.5359 Evaluate side-chains 1007 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 313 poor density : 694 time to evaluate : 4.748 ------------------------------------------------------------------------------- Set rotamer restraints ********************** 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 208 THR Chi-restraints excluded: chain X residue 708 THR Chi-restraints excluded: chain 4 residue 608 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 d residue 708 THR Chi-restraints excluded: chain e residue 5 LYS Chi-restraints excluded: chain k residue 608 THR Chi-restraints excluded: chain m residue 8 THR Chi-restraints excluded: chain p residue 305 LYS Chi-restraints excluded: chain s residue 608 THR Chi-restraints excluded: chain AC residue 8 THR Chi-restraints excluded: chain AH residue 505 LYS Chi-restraints excluded: chain AI residue 608 THR Chi-restraints excluded: chain AK residue 8 THR Chi-restraints excluded: chain AL residue 105 LYS Chi-restraints excluded: chain AO residue 402 CYS Chi-restraints excluded: chain AR residue 708 THR Chi-restraints excluded: chain AS residue 8 THR Chi-restraints excluded: chain AV residue 305 LYS Chi-restraints excluded: chain A0 residue 8 THR Chi-restraints excluded: chain A3 residue 305 LYS Chi-restraints excluded: chain A4 residue 405 LYS Chi-restraints excluded: chain A5 residue 505 LYS Chi-restraints excluded: chain A7 residue 705 LYS Chi-restraints excluded: chain A7 residue 708 THR Chi-restraints excluded: chain A8 residue 8 THR Chi-restraints excluded: chain BC residue 402 CYS Chi-restraints excluded: chain BF residue 705 LYS 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 BP residue 108 THR Chi-restraints excluded: chain BU residue 608 THR Chi-restraints excluded: chain BV residue 708 THR Chi-restraints excluded: chain BX residue 108 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 B8 residue 408 THR Chi-restraints excluded: chain B9 residue 505 LYS Chi-restraints excluded: chain CA residue 608 THR Chi-restraints excluded: chain CB residue 708 THR Chi-restraints excluded: chain CI residue 608 THR Chi-restraints excluded: chain CL residue 105 LYS Chi-restraints excluded: chain CM residue 205 LYS Chi-restraints excluded: chain CQ residue 608 THR Chi-restraints excluded: chain CV residue 308 THR Chi-restraints excluded: chain CY residue 608 THR Chi-restraints excluded: chain CZ residue 708 THR Chi-restraints excluded: chain C0 residue 8 THR Chi-restraints excluded: chain C4 residue 408 THR 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 DI residue 208 THR Chi-restraints excluded: chain DL residue 502 CYS Chi-restraints excluded: chain DM residue 608 THR Chi-restraints excluded: chain DO residue 8 THR Chi-restraints excluded: chain DR residue 305 LYS Chi-restraints excluded: chain DS residue 402 CYS Chi-restraints excluded: chain DT residue 502 CYS Chi-restraints excluded: chain DV residue 705 LYS Chi-restraints excluded: chain DW residue 8 THR Chi-restraints excluded: chain DZ residue 305 LYS 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 EJ residue 705 LYS Chi-restraints excluded: chain EO residue 402 CYS Chi-restraints excluded: chain EO residue 405 LYS Chi-restraints excluded: chain ES residue 5 LYS Chi-restraints excluded: chain ES residue 8 THR 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 E4 residue 405 LYS Chi-restraints excluded: chain E5 residue 505 LYS Chi-restraints excluded: chain E6 residue 608 THR Chi-restraints excluded: chain E9 residue 108 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 FU residue 608 THR Chi-restraints excluded: chain FZ residue 306 VAL Chi-restraints excluded: chain F2 residue 608 THR Chi-restraints excluded: chain F6 residue 205 LYS Chi-restraints excluded: chain GA residue 608 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 GU residue 208 THR Chi-restraints excluded: chain GW residue 408 THR Chi-restraints excluded: chain GY residue 608 THR Chi-restraints excluded: chain G0 residue 5 LYS Chi-restraints excluded: chain G0 residue 8 THR Chi-restraints excluded: chain G6 residue 608 THR Chi-restraints excluded: chain G7 residue 708 THR Chi-restraints excluded: chain G8 residue 5 LYS Chi-restraints excluded: chain G8 residue 8 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 HF residue 708 THR Chi-restraints excluded: chain HG residue 8 THR 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 HW residue 8 THR Chi-restraints excluded: chain HX residue 105 LYS 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 H3 residue 705 LYS Chi-restraints excluded: chain H4 residue 8 THR 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 ID residue 108 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 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 IY residue 608 THR Chi-restraints excluded: chain IZ residue 708 THR Chi-restraints excluded: chain I7 residue 708 THR Chi-restraints excluded: chain I9 residue 108 THR Chi-restraints excluded: chain JG residue 5 LYS Chi-restraints excluded: chain JK residue 408 THR Chi-restraints excluded: chain JM residue 608 THR Chi-restraints excluded: chain JN residue 705 LYS Chi-restraints excluded: chain JO residue 5 LYS Chi-restraints excluded: chain JP residue 105 LYS Chi-restraints excluded: chain JR residue 305 LYS Chi-restraints excluded: chain J3 residue 708 THR Chi-restraints excluded: chain J4 residue 5 LYS Chi-restraints excluded: chain J4 residue 8 THR Chi-restraints excluded: chain J5 residue 105 LYS Chi-restraints excluded: chain J9 residue 502 CYS Chi-restraints excluded: chain KB residue 708 THR Chi-restraints excluded: chain KC residue 8 THR Chi-restraints excluded: chain KG residue 408 THR Chi-restraints excluded: chain KI residue 608 THR Chi-restraints excluded: chain KJ residue 708 THR Chi-restraints excluded: chain KK residue 8 THR Chi-restraints excluded: chain KN residue 305 LYS 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 KW residue 405 LYS Chi-restraints excluded: chain K0 residue 8 THR Chi-restraints excluded: chain K3 residue 305 LYS Chi-restraints excluded: chain K4 residue 402 CYS Chi-restraints excluded: chain K6 residue 605 LYS 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 LC residue 402 CYS Chi-restraints excluded: chain LE residue 608 THR Chi-restraints excluded: chain LG residue 8 THR Chi-restraints excluded: chain LH residue 108 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 LQ residue 205 LYS 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 MH residue 505 LYS Chi-restraints excluded: chain MI residue 608 THR Chi-restraints excluded: chain MQ residue 608 THR Chi-restraints excluded: chain MR residue 708 THR Chi-restraints excluded: chain MU residue 205 LYS Chi-restraints excluded: chain MY residue 608 THR Chi-restraints excluded: chain MZ residue 708 THR Chi-restraints excluded: chain M6 residue 608 THR Chi-restraints excluded: chain M7 residue 708 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 NN residue 708 THR Chi-restraints excluded: chain NO residue 5 LYS Chi-restraints excluded: chain NU residue 608 THR Chi-restraints excluded: chain NW residue 8 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 ON residue 305 LYS Chi-restraints excluded: chain OO residue 405 LYS 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 OV residue 302 CYS Chi-restraints excluded: chain OW residue 405 LYS Chi-restraints excluded: chain OZ residue 705 LYS Chi-restraints excluded: chain O1 residue 108 THR Chi-restraints excluded: chain O4 residue 402 CYS Chi-restraints excluded: chain O4 residue 405 LYS Chi-restraints excluded: chain O5 residue 505 LYS Chi-restraints excluded: chain O7 residue 705 LYS Chi-restraints excluded: chain O7 residue 708 THR Chi-restraints excluded: chain PF residue 708 THR Chi-restraints excluded: chain PG residue 5 LYS 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 PU residue 608 THR Chi-restraints excluded: chain P2 residue 608 THR Chi-restraints excluded: chain QA residue 608 THR Chi-restraints excluded: chain QB residue 708 THR Chi-restraints excluded: chain QO residue 408 THR Chi-restraints excluded: chain QQ residue 608 THR Chi-restraints excluded: chain QS residue 8 THR Chi-restraints excluded: chain QU residue 208 THR Chi-restraints excluded: chain QY residue 608 THR Chi-restraints excluded: chain QZ residue 708 THR Chi-restraints excluded: chain Q6 residue 608 THR Chi-restraints excluded: chain RA residue 208 THR Chi-restraints excluded: chain RC residue 405 LYS Chi-restraints excluded: chain RD residue 502 CYS Chi-restraints excluded: chain RK residue 405 LYS Chi-restraints excluded: chain RM residue 608 THR Chi-restraints excluded: chain RN residue 705 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 R7 residue 305 LYS Chi-restraints excluded: chain R8 residue 405 LYS Chi-restraints excluded: chain SB residue 705 LYS Chi-restraints excluded: chain SC residue 8 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 SM residue 205 LYS Chi-restraints excluded: chain SN residue 305 LYS Chi-restraints excluded: chain SO residue 405 LYS Chi-restraints excluded: chain SQ residue 608 THR Chi-restraints excluded: chain SR residue 705 LYS Chi-restraints excluded: chain SS residue 8 THR Chi-restraints excluded: chain SU residue 205 LYS Chi-restraints excluded: chain SX residue 505 LYS Chi-restraints excluded: chain SY residue 608 THR Chi-restraints excluded: chain S5 residue 505 LYS Chi-restraints excluded: chain S6 residue 608 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 TV residue 708 THR Chi-restraints excluded: chain TX residue 105 LYS Chi-restraints excluded: chain T2 residue 608 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 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: 5.9990 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: 0.8316 moved from start: 0.2410 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.052 0.235 63200 Z= 2.821 Angle : 2.808 27.650 84800 Z= 1.317 Chirality : 0.204 0.698 8000 Planarity : 0.014 0.046 7200 Dihedral : 11.385 35.008 8000 Min Nonbonded Distance : 1.641 Molprobity Statistics. All-atom Clashscore : 7.42 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Rotamer: Outliers : 6.75 % Allowed : 12.19 % Favored : 81.06 % Cbeta Deviations : 0.66 % 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: 1.17 (0.12), residues: 1600 helix: None (None), residues: 0 sheet: None (None), residues: 0 loop : 0.90 (0.09), residues: 1600 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.048 0.011 TYR a 403 ********************** 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 1045 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 324 poor density : 721 time to evaluate : 4.790 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: 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: E 402 CYS cc_start: 0.6996 (m) cc_final: 0.6647 (m) REVERT: F 502 CYS cc_start: 0.7068 (m) cc_final: 0.6677 (m) REVERT: M 402 CYS cc_start: 0.7098 (m) cc_final: 0.6587 (m) REVERT: R 105 LYS cc_start: 0.9084 (OUTLIER) cc_final: 0.8587 (mtpp) REVERT: q 402 CYS cc_start: 0.6933 (m) cc_final: 0.6448 (m) REVERT: AF 302 CYS cc_start: 0.6702 (m) cc_final: 0.6400 (m) REVERT: AG 405 LYS cc_start: 0.8989 (mtmt) cc_final: 0.8782 (mtmt) REVERT: AL 105 LYS cc_start: 0.9141 (OUTLIER) cc_final: 0.8861 (mttm) REVERT: A3 305 LYS cc_start: 0.9025 (OUTLIER) cc_final: 0.8804 (mttt) REVERT: BK 402 CYS cc_start: 0.6923 (m) cc_final: 0.6553 (m) REVERT: BN 705 LYS cc_start: 0.8744 (OUTLIER) cc_final: 0.8540 (mtmt) REVERT: BY 202 CYS cc_start: 0.6217 (m) cc_final: 0.5703 (m) REVERT: B7 302 CYS cc_start: 0.7188 (m) cc_final: 0.6628 (m) REVERT: B9 502 CYS cc_start: 0.6792 (m) cc_final: 0.6407 (m) REVERT: CE 202 CYS cc_start: 0.6584 (m) cc_final: 0.6168 (m) REVERT: CM 202 CYS cc_start: 0.7028 (m) cc_final: 0.6582 (m) REVERT: C3 302 CYS cc_start: 0.7008 (m) cc_final: 0.6697 (m) REVERT: DR 302 CYS cc_start: 0.6801 (m) cc_final: 0.6389 (m) REVERT: D0 402 CYS cc_start: 0.7141 (m) cc_final: 0.6604 (m) REVERT: D8 402 CYS cc_start: 0.7098 (m) cc_final: 0.6788 (m) REVERT: D9 502 CYS cc_start: 0.7059 (m) cc_final: 0.6707 (m) REVERT: EO 405 LYS cc_start: 0.9061 (OUTLIER) cc_final: 0.8453 (mtmm) REVERT: EZ 705 LYS cc_start: 0.8779 (OUTLIER) cc_final: 0.8181 (mtpt) REVERT: E4 405 LYS cc_start: 0.9101 (OUTLIER) cc_final: 0.8623 (mtmm) REVERT: FY 202 CYS cc_start: 0.6982 (m) cc_final: 0.6529 (m) REVERT: F6 202 CYS cc_start: 0.7067 (m) cc_final: 0.6598 (m) REVERT: F6 205 LYS cc_start: 0.9028 (OUTLIER) cc_final: 0.8803 (mttp) REVERT: F8 402 CYS cc_start: 0.7235 (m) cc_final: 0.6850 (m) REVERT: GG 405 LYS cc_start: 0.9119 (OUTLIER) cc_final: 0.8476 (mtmm) REVERT: GO 402 CYS cc_start: 0.7057 (m) cc_final: 0.6600 (m) REVERT: GW 402 CYS cc_start: 0.7122 (m) cc_final: 0.6834 (m) REVERT: GZ 708 THR cc_start: 0.8763 (p) cc_final: 0.8504 (p) REVERT: G0 5 LYS cc_start: 0.9011 (OUTLIER) cc_final: 0.8602 (mttp) REVERT: HC 402 CYS cc_start: 0.7169 (m) cc_final: 0.6821 (m) REVERT: HE 605 LYS cc_start: 0.8850 (OUTLIER) cc_final: 0.8504 (mtmt) REVERT: HS 405 LYS cc_start: 0.9079 (OUTLIER) cc_final: 0.8620 (mtmm) REVERT: H3 705 LYS cc_start: 0.9050 (OUTLIER) cc_final: 0.8527 (mtmp) REVERT: H9 502 CYS cc_start: 0.7121 (m) cc_final: 0.6774 (m) REVERT: IE 202 CYS cc_start: 0.6623 (m) cc_final: 0.6222 (m) REVERT: IJ 705 LYS cc_start: 0.8674 (OUTLIER) cc_final: 0.7995 (mtpt) REVERT: IM 202 CYS cc_start: 0.6514 (m) cc_final: 0.6162 (m) REVERT: IO 402 CYS cc_start: 0.7085 (m) cc_final: 0.6680 (m) REVERT: IO 405 LYS cc_start: 0.8984 (OUTLIER) cc_final: 0.8538 (mtmm) REVERT: IP 502 CYS cc_start: 0.7140 (m) cc_final: 0.6573 (m) REVERT: I4 402 CYS cc_start: 0.7108 (m) cc_final: 0.6708 (m) REVERT: JO 5 LYS cc_start: 0.9006 (OUTLIER) cc_final: 0.8700 (mtpt) REVERT: JP 105 LYS cc_start: 0.9059 (OUTLIER) cc_final: 0.8586 (mtpp) REVERT: JZ 302 CYS cc_start: 0.6943 (m) cc_final: 0.6616 (m) REVERT: J4 5 LYS cc_start: 0.9070 (OUTLIER) cc_final: 0.8783 (mttm) REVERT: J6 202 CYS cc_start: 0.6888 (m) cc_final: 0.6378 (m) REVERT: KG 402 CYS cc_start: 0.7095 (m) cc_final: 0.6558 (m) REVERT: KO 405 LYS cc_start: 0.8965 (mtmt) cc_final: 0.8719 (mttp) REVERT: KQ 605 LYS cc_start: 0.8816 (OUTLIER) cc_final: 0.8161 (mtpt) REVERT: KW 405 LYS cc_start: 0.9016 (OUTLIER) cc_final: 0.8740 (mttp) REVERT: K5 502 CYS cc_start: 0.7042 (m) cc_final: 0.6689 (m) REVERT: K8 5 LYS cc_start: 0.9001 (OUTLIER) cc_final: 0.8739 (mttt) REVERT: LN 705 LYS cc_start: 0.8865 (OUTLIER) cc_final: 0.8242 (mtpt) REVERT: LY 205 LYS cc_start: 0.9043 (OUTLIER) cc_final: 0.8443 (mtmm) REVERT: L6 202 CYS cc_start: 0.6709 (m) cc_final: 0.6257 (m) REVERT: L8 402 CYS cc_start: 0.7085 (m) cc_final: 0.6804 (m) REVERT: ME 202 CYS cc_start: 0.6354 (m) cc_final: 0.6038 (m) REVERT: MU 205 LYS cc_start: 0.9031 (OUTLIER) cc_final: 0.8812 (mttp) REVERT: NC 402 CYS cc_start: 0.6671 (m) cc_final: 0.6157 (m) REVERT: NO 5 LYS cc_start: 0.9033 (OUTLIER) cc_final: 0.8743 (mtmt) REVERT: NR 302 CYS cc_start: 0.6877 (m) cc_final: 0.6536 (m) REVERT: NZ 302 CYS cc_start: 0.6778 (m) cc_final: 0.6435 (m) REVERT: N0 402 CYS cc_start: 0.7001 (m) cc_final: 0.6699 (m) REVERT: N7 302 CYS cc_start: 0.6776 (m) cc_final: 0.6329 (m) REVERT: OF 302 CYS cc_start: 0.6711 (m) cc_final: 0.6372 (m) REVERT: OG 402 CYS cc_start: 0.7114 (m) cc_final: 0.6702 (m) REVERT: OO 405 LYS cc_start: 0.9046 (OUTLIER) cc_final: 0.8726 (mtmm) REVERT: OR 705 LYS cc_start: 0.8993 (OUTLIER) cc_final: 0.8482 (mtmp) REVERT: OS 5 LYS cc_start: 0.9002 (OUTLIER) cc_final: 0.8742 (mtmt) REVERT: OU 202 CYS cc_start: 0.7009 (m) cc_final: 0.6398 (m) REVERT: OW 405 LYS cc_start: 0.9080 (OUTLIER) cc_final: 0.8836 (mtmm) REVERT: O2 202 CYS cc_start: 0.6838 (m) cc_final: 0.6319 (m) REVERT: O4 405 LYS cc_start: 0.9099 (OUTLIER) cc_final: 0.8509 (mtmm) REVERT: O7 705 LYS cc_start: 0.8686 (OUTLIER) cc_final: 0.8128 (mtpt) REVERT: O8 5 LYS cc_start: 0.8913 (mttt) cc_final: 0.8691 (mttt) REVERT: O9 105 LYS cc_start: 0.8745 (mttt) cc_final: 0.8506 (mttp) REVERT: PG 5 LYS cc_start: 0.9027 (OUTLIER) cc_final: 0.8191 (mmmm) REVERT: P0 402 CYS cc_start: 0.7065 (m) cc_final: 0.6697 (m) REVERT: P1 502 CYS cc_start: 0.6859 (m) cc_final: 0.6573 (m) REVERT: P8 402 CYS cc_start: 0.7215 (m) cc_final: 0.6616 (m) REVERT: QE 202 CYS cc_start: 0.6985 (m) cc_final: 0.6489 (m) REVERT: QM 202 CYS cc_start: 0.7007 (m) cc_final: 0.6561 (m) REVERT: Q4 402 CYS cc_start: 0.6754 (m) cc_final: 0.6249 (m) REVERT: RB 302 CYS cc_start: 0.6739 (m) cc_final: 0.6306 (m) REVERT: RK 405 LYS cc_start: 0.9066 (OUTLIER) cc_final: 0.8632 (mttp) REVERT: RM 605 LYS cc_start: 0.8878 (mtmt) cc_final: 0.8615 (mtmt) REVERT: RN 705 LYS cc_start: 0.8755 (OUTLIER) cc_final: 0.8545 (mtmt) REVERT: RT 502 CYS cc_start: 0.7022 (m) cc_final: 0.6708 (m) REVERT: RY 202 CYS cc_start: 0.6893 (m) cc_final: 0.6325 (m) REVERT: R8 405 LYS cc_start: 0.9054 (OUTLIER) cc_final: 0.8382 (mtmm) REVERT: SB 705 LYS cc_start: 0.8968 (OUTLIER) cc_final: 0.8456 (mtmp) REVERT: SM 205 LYS cc_start: 0.8965 (OUTLIER) cc_final: 0.8748 (mttt) REVERT: SR 705 LYS cc_start: 0.8794 (OUTLIER) cc_final: 0.8300 (mtpt) REVERT: SU 202 CYS cc_start: 0.6579 (m) cc_final: 0.6088 (m) REVERT: SU 205 LYS cc_start: 0.8970 (OUTLIER) cc_final: 0.8289 (mtmm) REVERT: S2 202 CYS cc_start: 0.6778 (m) cc_final: 0.6262 (m) REVERT: TA 202 CYS cc_start: 0.6654 (m) cc_final: 0.6388 (m) REVERT: TI 202 CYS cc_start: 0.6445 (m) cc_final: 0.5969 (m) REVERT: TX 105 LYS cc_start: 0.8928 (OUTLIER) cc_final: 0.8594 (mttt) REVERT: T1 505 LYS cc_start: 0.9056 (mttt) cc_final: 0.8782 (mttt) REVERT: T5 105 LYS cc_start: 0.8976 (OUTLIER) cc_final: 0.8515 (mtpp) REVERT: UK 5 LYS cc_start: 0.9122 (OUTLIER) cc_final: 0.8840 (mtmt) outliers start: 324 outliers final: 270 residues processed: 899 average time/residue: 1.5253 time to fit residues: 1751.4778 Evaluate side-chains 1011 residues out of total 4800 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 312 poor density : 699 time to evaluate : 4.781 ------------------------------------------------------------------------------- Set rotamer restraints ********************** 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 208 THR Chi-restraints excluded: chain X residue 708 THR Chi-restraints excluded: chain 4 residue 608 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 d residue 708 THR Chi-restraints excluded: chain e residue 5 LYS Chi-restraints excluded: chain k residue 608 THR Chi-restraints excluded: chain m residue 8 THR Chi-restraints excluded: chain p residue 305 LYS Chi-restraints excluded: chain s residue 608 THR Chi-restraints excluded: chain AC residue 8 THR Chi-restraints excluded: chain AH residue 505 LYS Chi-restraints excluded: chain AI residue 608 THR Chi-restraints excluded: chain AK residue 8 THR Chi-restraints excluded: chain AL residue 105 LYS Chi-restraints excluded: chain AO residue 402 CYS Chi-restraints excluded: chain AR residue 708 THR Chi-restraints excluded: chain AS residue 8 THR Chi-restraints excluded: chain AV residue 305 LYS Chi-restraints excluded: chain A0 residue 8 THR Chi-restraints excluded: chain A3 residue 305 LYS Chi-restraints excluded: chain A4 residue 405 LYS Chi-restraints excluded: chain A5 residue 505 LYS Chi-restraints excluded: chain A7 residue 705 LYS Chi-restraints excluded: chain A7 residue 708 THR Chi-restraints excluded: chain A8 residue 8 THR Chi-restraints excluded: chain BC residue 402 CYS Chi-restraints excluded: chain BF residue 705 LYS 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 BP residue 108 THR Chi-restraints excluded: chain BU residue 608 THR Chi-restraints excluded: chain BV residue 708 THR Chi-restraints excluded: chain BX residue 108 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 B8 residue 408 THR Chi-restraints excluded: chain B9 residue 505 LYS Chi-restraints excluded: chain CA residue 608 THR Chi-restraints excluded: chain CB residue 708 THR Chi-restraints excluded: chain CI residue 608 THR Chi-restraints excluded: chain CL residue 105 LYS Chi-restraints excluded: chain CM residue 205 LYS Chi-restraints excluded: chain CQ residue 608 THR Chi-restraints excluded: chain CV residue 308 THR Chi-restraints excluded: chain CY residue 608 THR Chi-restraints excluded: chain CZ residue 708 THR Chi-restraints excluded: chain C0 residue 8 THR Chi-restraints excluded: chain C4 residue 408 THR 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 DI residue 208 THR Chi-restraints excluded: chain DL residue 502 CYS Chi-restraints excluded: chain DM residue 608 THR Chi-restraints excluded: chain DO residue 8 THR Chi-restraints excluded: chain DR residue 305 LYS Chi-restraints excluded: chain DS residue 402 CYS Chi-restraints excluded: chain DT residue 502 CYS Chi-restraints excluded: chain DV residue 705 LYS Chi-restraints excluded: chain DW residue 8 THR Chi-restraints excluded: chain DZ residue 305 LYS Chi-restraints excluded: chain D3 residue 708 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 EJ residue 705 LYS Chi-restraints excluded: chain EO residue 402 CYS Chi-restraints excluded: chain EO residue 405 LYS Chi-restraints excluded: chain ES residue 5 LYS Chi-restraints excluded: chain ES residue 8 THR 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 E4 residue 405 LYS Chi-restraints excluded: chain E5 residue 505 LYS Chi-restraints excluded: chain E6 residue 608 THR Chi-restraints excluded: chain E9 residue 108 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 FU residue 608 THR Chi-restraints excluded: chain FZ residue 306 VAL Chi-restraints excluded: chain F2 residue 608 THR Chi-restraints excluded: chain F6 residue 205 LYS Chi-restraints excluded: chain GA residue 608 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 GR residue 708 THR Chi-restraints excluded: chain GU residue 208 THR Chi-restraints excluded: chain GW residue 408 THR Chi-restraints excluded: chain GY residue 608 THR Chi-restraints excluded: chain G0 residue 5 LYS Chi-restraints excluded: chain G0 residue 8 THR Chi-restraints excluded: chain G6 residue 608 THR Chi-restraints excluded: chain G7 residue 708 THR Chi-restraints excluded: chain G8 residue 5 LYS Chi-restraints excluded: chain G8 residue 8 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 HF residue 708 THR Chi-restraints excluded: chain HG residue 8 THR 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 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 H3 residue 705 LYS Chi-restraints excluded: chain H4 residue 8 THR 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 ID residue 108 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 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 IW residue 402 CYS Chi-restraints excluded: chain IX residue 505 LYS Chi-restraints excluded: chain IY residue 608 THR Chi-restraints excluded: chain IZ residue 708 THR Chi-restraints excluded: chain I7 residue 708 THR Chi-restraints excluded: chain I9 residue 108 THR Chi-restraints excluded: chain JG residue 5 LYS Chi-restraints excluded: chain JK residue 408 THR Chi-restraints excluded: chain JM residue 608 THR Chi-restraints excluded: chain JN residue 705 LYS Chi-restraints excluded: chain JO residue 5 LYS Chi-restraints excluded: chain JP residue 105 LYS Chi-restraints excluded: chain JR residue 305 LYS Chi-restraints excluded: chain J3 residue 708 THR Chi-restraints excluded: chain J4 residue 5 LYS Chi-restraints excluded: chain J4 residue 8 THR Chi-restraints excluded: chain J5 residue 105 LYS Chi-restraints excluded: chain KA residue 608 THR Chi-restraints excluded: chain KB residue 708 THR Chi-restraints excluded: chain KC residue 8 THR Chi-restraints excluded: chain KG residue 408 THR Chi-restraints excluded: chain KI residue 608 THR Chi-restraints excluded: chain KJ residue 708 THR Chi-restraints excluded: chain KK residue 8 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 KW residue 405 LYS Chi-restraints excluded: chain K0 residue 8 THR Chi-restraints excluded: chain K3 residue 305 LYS Chi-restraints excluded: chain K4 residue 402 CYS Chi-restraints excluded: chain K6 residue 605 LYS 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 LC residue 402 CYS Chi-restraints excluded: chain LE residue 608 THR Chi-restraints excluded: chain LG residue 8 THR Chi-restraints excluded: chain LH residue 108 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 LQ residue 205 LYS 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 MH residue 505 LYS Chi-restraints excluded: chain MI residue 608 THR Chi-restraints excluded: chain MQ residue 608 THR Chi-restraints excluded: chain MR residue 708 THR Chi-restraints excluded: chain MU residue 205 LYS Chi-restraints excluded: chain MY residue 608 THR Chi-restraints excluded: chain MZ residue 708 THR Chi-restraints excluded: chain M6 residue 608 THR Chi-restraints excluded: chain M7 residue 708 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 NN residue 708 THR Chi-restraints excluded: chain NO residue 5 LYS Chi-restraints excluded: chain NU residue 608 THR Chi-restraints excluded: chain NW residue 8 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 ON residue 305 LYS Chi-restraints excluded: chain OO residue 405 LYS 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 OV residue 302 CYS Chi-restraints excluded: chain OW residue 405 LYS Chi-restraints excluded: chain OZ residue 705 LYS Chi-restraints excluded: chain O1 residue 108 THR Chi-restraints excluded: chain O4 residue 402 CYS Chi-restraints excluded: chain O4 residue 405 LYS Chi-restraints excluded: chain O5 residue 505 LYS Chi-restraints excluded: chain O7 residue 705 LYS Chi-restraints excluded: chain O7 residue 708 THR Chi-restraints excluded: chain PF residue 708 THR Chi-restraints excluded: chain PG residue 5 LYS 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 PU residue 608 THR Chi-restraints excluded: chain P2 residue 608 THR Chi-restraints excluded: chain QA residue 608 THR Chi-restraints excluded: chain QB residue 708 THR Chi-restraints excluded: chain QO residue 408 THR Chi-restraints excluded: chain QQ residue 608 THR Chi-restraints excluded: chain QS residue 8 THR Chi-restraints excluded: chain QU residue 208 THR Chi-restraints excluded: chain QY residue 608 THR Chi-restraints excluded: chain QZ residue 708 THR Chi-restraints excluded: chain Q6 residue 608 THR Chi-restraints excluded: chain RA residue 208 THR Chi-restraints excluded: chain RC residue 405 LYS Chi-restraints excluded: chain RD residue 502 CYS Chi-restraints excluded: chain RK residue 405 LYS Chi-restraints excluded: chain RM residue 608 THR Chi-restraints excluded: chain RN residue 705 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 R7 residue 305 LYS Chi-restraints excluded: chain R8 residue 405 LYS Chi-restraints excluded: chain SB residue 705 LYS Chi-restraints excluded: chain SC residue 8 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 SJ residue 705 LYS Chi-restraints excluded: chain SJ residue 708 THR Chi-restraints excluded: chain SK residue 8 THR Chi-restraints excluded: chain SM residue 205 LYS Chi-restraints excluded: chain SN residue 305 LYS Chi-restraints excluded: chain SO residue 405 LYS Chi-restraints excluded: chain SQ residue 608 THR Chi-restraints excluded: chain SR residue 705 LYS Chi-restraints excluded: chain SS residue 8 THR Chi-restraints excluded: chain SU residue 205 LYS Chi-restraints excluded: chain SX residue 505 LYS Chi-restraints excluded: chain SY residue 608 THR Chi-restraints excluded: chain S6 residue 608 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 TV residue 708 THR Chi-restraints excluded: chain TX residue 105 LYS Chi-restraints excluded: chain T2 residue 608 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 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 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: 5.9990 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 = 0.3855 r_free = 0.3855 target = 0.146641 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 39)----------------| | r_work = 0.3754 r_free = 0.3754 target = 0.139392 restraints weight = 63921.946| |-----------------------------------------------------------------------------| r_work (start): 0.3792 rms_B_bonded: 0.86 r_work: 0.3727 rms_B_bonded: 0.87 restraints_weight: 0.5000 r_work: 0.3642 rms_B_bonded: 1.58 restraints_weight: 0.2500 r_work: 0.3446 rms_B_bonded: 4.67 restraints_weight: 0.1250 r_work (final): 0.3446 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8670 moved from start: 0.2413 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.052 0.238 63200 Z= 2.820 Angle : 2.810 27.708 84800 Z= 1.318 Chirality : 0.204 0.691 8000 Planarity : 0.014 0.049 7200 Dihedral : 11.386 34.992 8000 Min Nonbonded Distance : 1.651 Molprobity Statistics. All-atom Clashscore : 7.33 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Rotamer: Outliers : 6.73 % Allowed : 12.31 % Favored : 80.96 % Cbeta Deviations : 0.64 % 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: 1.18 (0.12), residues: 1600 helix: None (None), residues: 0 sheet: None (None), residues: 0 loop : 0.91 (0.09), residues: 1600 Max deviation from planes: Type MaxDev MeanDev LineInFile TYR 0.049 0.011 TYR a 403 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 27555.03 seconds wall clock time: 471 minutes 11.70 seconds (28271.70 seconds total)