Starting phenix.real_space_refine (version: dev) on Tue May 3 02:03:58 2022 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7l6e_23202/05_2022/7l6e_23202.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7l6e_23202/05_2022/7l6e_23202.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=3.15 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7l6e_23202/05_2022/7l6e_23202.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7l6e_23202/05_2022/7l6e_23202.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7l6e_23202/05_2022/7l6e_23202.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7l6e_23202/05_2022/7l6e_23202.pdb" } resolution = 3.15 write_initial_geo_file = False refinement { macro_cycles = 10 } 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 ------------------------------------------------------------------------------- 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= -0.000 sd= 1.000 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 Convert atoms to be neutral Process input model Symmetric amino acids flipped None Time to flip residues: 0.51s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4553/modules/chem_data/mon_lib" Total number of atoms: 248700 Number of models: 1 Model: "" Number of chains: 120 Chain: "A" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "B" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "C" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "D" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "E" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "F" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "G" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "H" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "I" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "J" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "K" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "L" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "M" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "N" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "O" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "P" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "Q" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "R" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "S" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "T" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "U" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "V" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "W" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "X" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "Y" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "Z" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "a" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "b" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "c" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "d" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "e" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "f" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "g" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "h" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "i" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "j" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "k" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "l" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "m" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "n" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "o" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "p" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "q" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "r" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "s" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "t" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "u" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "v" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "w" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "x" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "y" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "z" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "1" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "2" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "3" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "4" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "5" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "6" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "7" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "8" Number of atoms: 4123 Number of conformers: 1 Conformer: "" Number of residues, atoms: 521, 4123 Classifications: {'peptide': 521} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 36, 'TRANS': 483, 'PCIS': 1} Chain: "A" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "B" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "C" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "D" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "E" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "F" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "G" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "H" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "I" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "J" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "K" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "L" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "M" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "N" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "O" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "P" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "Q" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "R" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "S" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "T" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "U" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "V" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "W" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "X" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "Y" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "Z" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "a" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "b" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "c" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "d" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "e" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "f" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "g" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "h" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "i" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "j" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "k" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "l" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "m" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "n" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "o" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "p" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "q" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "r" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "s" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "t" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "u" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "v" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "w" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "x" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "y" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "z" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "1" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "2" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "3" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "4" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "5" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "6" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "7" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Chain: "8" Number of atoms: 22 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 22 Classifications: {'DNA': 1} Modifications used: {'p5*END': 1} Time building chain proxies: 102.08, per 1000 atoms: 0.41 Number of scatterers: 248700 At special positions: 0 Unit cell: (291.893, 291.893, 291.893, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 5 Type Number sf(0) S 1020 16.00 P 60 15.00 O 47580 8.00 N 43020 7.00 C 157020 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=0, symmetry=0 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.50 Amino acid : False - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=0, symmetry=0 Time building additional restraints: 69.87 Conformation dependent library (CDL) restraints added in 23.6 seconds 62280 Ramachandran restraints generated. 31140 Oldfield, 0 Emsley, 31140 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 57720 Finding SS restraints... Secondary structure from input PDB file: 420 helices and 780 sheets defined 8.4% alpha, 34.0% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 12.31 Creating SS restraints... Processing helix chain 'A' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN A 248 " --> pdb=" O THR A 245 " (cutoff:3.500A) Processing helix chain 'A' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN A 293 " --> pdb=" O ARG A 289 " (cutoff:3.500A) Processing helix chain 'A' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE A 391 " --> pdb=" O LEU A 388 " (cutoff:3.500A) Processing helix chain 'A' and resid 422 through 426 Processing helix chain 'A' and resid 499 through 504 Processing helix chain 'A' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN A 554 " --> pdb=" O SER A 551 " (cutoff:3.500A) Processing helix chain 'A' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA A 565 " --> pdb=" O GLU A 562 " (cutoff:3.500A) Processing helix chain 'B' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN B 248 " --> pdb=" O THR B 245 " (cutoff:3.500A) Processing helix chain 'B' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN B 293 " --> pdb=" O ARG B 289 " (cutoff:3.500A) Processing helix chain 'B' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE B 391 " --> pdb=" O LEU B 388 " (cutoff:3.500A) Processing helix chain 'B' and resid 422 through 426 Processing helix chain 'B' and resid 499 through 504 Processing helix chain 'B' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN B 554 " --> pdb=" O SER B 551 " (cutoff:3.500A) Processing helix chain 'B' and resid 560 through 565 removed outlier: 4.042A pdb=" N ALA B 565 " --> pdb=" O GLU B 562 " (cutoff:3.500A) Processing helix chain 'C' and resid 245 through 250 removed outlier: 4.189A pdb=" N ASN C 248 " --> pdb=" O THR C 245 " (cutoff:3.500A) Processing helix chain 'C' and resid 283 through 293 removed outlier: 3.523A pdb=" N ASN C 293 " --> pdb=" O ARG C 289 " (cutoff:3.500A) Processing helix chain 'C' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE C 391 " --> pdb=" O LEU C 388 " (cutoff:3.500A) Processing helix chain 'C' and resid 422 through 426 Processing helix chain 'C' and resid 499 through 504 Processing helix chain 'C' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN C 554 " --> pdb=" O SER C 551 " (cutoff:3.500A) Processing helix chain 'C' and resid 560 through 565 removed outlier: 4.042A pdb=" N ALA C 565 " --> pdb=" O GLU C 562 " (cutoff:3.500A) Processing helix chain 'D' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN D 248 " --> pdb=" O THR D 245 " (cutoff:3.500A) Processing helix chain 'D' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN D 293 " --> pdb=" O ARG D 289 " (cutoff:3.500A) Processing helix chain 'D' and resid 387 through 391 removed outlier: 3.772A pdb=" N PHE D 391 " --> pdb=" O LEU D 388 " (cutoff:3.500A) Processing helix chain 'D' and resid 422 through 426 Processing helix chain 'D' and resid 499 through 504 Processing helix chain 'D' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN D 554 " --> pdb=" O SER D 551 " (cutoff:3.500A) Processing helix chain 'D' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA D 565 " --> pdb=" O GLU D 562 " (cutoff:3.500A) Processing helix chain 'E' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN E 248 " --> pdb=" O THR E 245 " (cutoff:3.500A) Processing helix chain 'E' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN E 293 " --> pdb=" O ARG E 289 " (cutoff:3.500A) Processing helix chain 'E' and resid 387 through 391 removed outlier: 3.772A pdb=" N PHE E 391 " --> pdb=" O LEU E 388 " (cutoff:3.500A) Processing helix chain 'E' and resid 422 through 426 Processing helix chain 'E' and resid 499 through 504 Processing helix chain 'E' and resid 551 through 555 removed outlier: 3.621A pdb=" N ASN E 554 " --> pdb=" O SER E 551 " (cutoff:3.500A) Processing helix chain 'E' and resid 560 through 565 removed outlier: 4.042A pdb=" N ALA E 565 " --> pdb=" O GLU E 562 " (cutoff:3.500A) Processing helix chain 'F' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN F 248 " --> pdb=" O THR F 245 " (cutoff:3.500A) Processing helix chain 'F' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN F 293 " --> pdb=" O ARG F 289 " (cutoff:3.500A) Processing helix chain 'F' and resid 387 through 391 removed outlier: 3.772A pdb=" N PHE F 391 " --> pdb=" O LEU F 388 " (cutoff:3.500A) Processing helix chain 'F' and resid 422 through 426 Processing helix chain 'F' and resid 499 through 504 Processing helix chain 'F' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN F 554 " --> pdb=" O SER F 551 " (cutoff:3.500A) Processing helix chain 'F' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA F 565 " --> pdb=" O GLU F 562 " (cutoff:3.500A) Processing helix chain 'G' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN G 248 " --> pdb=" O THR G 245 " (cutoff:3.500A) Processing helix chain 'G' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN G 293 " --> pdb=" O ARG G 289 " (cutoff:3.500A) Processing helix chain 'G' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE G 391 " --> pdb=" O LEU G 388 " (cutoff:3.500A) Processing helix chain 'G' and resid 422 through 426 Processing helix chain 'G' and resid 499 through 504 Processing helix chain 'G' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN G 554 " --> pdb=" O SER G 551 " (cutoff:3.500A) Processing helix chain 'G' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA G 565 " --> pdb=" O GLU G 562 " (cutoff:3.500A) Processing helix chain 'H' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN H 248 " --> pdb=" O THR H 245 " (cutoff:3.500A) Processing helix chain 'H' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN H 293 " --> pdb=" O ARG H 289 " (cutoff:3.500A) Processing helix chain 'H' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE H 391 " --> pdb=" O LEU H 388 " (cutoff:3.500A) Processing helix chain 'H' and resid 422 through 426 Processing helix chain 'H' and resid 499 through 504 Processing helix chain 'H' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN H 554 " --> pdb=" O SER H 551 " (cutoff:3.500A) Processing helix chain 'H' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA H 565 " --> pdb=" O GLU H 562 " (cutoff:3.500A) Processing helix chain 'I' and resid 245 through 250 removed outlier: 4.189A pdb=" N ASN I 248 " --> pdb=" O THR I 245 " (cutoff:3.500A) Processing helix chain 'I' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN I 293 " --> pdb=" O ARG I 289 " (cutoff:3.500A) Processing helix chain 'I' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE I 391 " --> pdb=" O LEU I 388 " (cutoff:3.500A) Processing helix chain 'I' and resid 422 through 426 Processing helix chain 'I' and resid 499 through 504 Processing helix chain 'I' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN I 554 " --> pdb=" O SER I 551 " (cutoff:3.500A) Processing helix chain 'I' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA I 565 " --> pdb=" O GLU I 562 " (cutoff:3.500A) Processing helix chain 'J' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN J 248 " --> pdb=" O THR J 245 " (cutoff:3.500A) Processing helix chain 'J' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN J 293 " --> pdb=" O ARG J 289 " (cutoff:3.500A) Processing helix chain 'J' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE J 391 " --> pdb=" O LEU J 388 " (cutoff:3.500A) Processing helix chain 'J' and resid 422 through 426 Processing helix chain 'J' and resid 499 through 504 Processing helix chain 'J' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN J 554 " --> pdb=" O SER J 551 " (cutoff:3.500A) Processing helix chain 'J' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA J 565 " --> pdb=" O GLU J 562 " (cutoff:3.500A) Processing helix chain 'K' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN K 248 " --> pdb=" O THR K 245 " (cutoff:3.500A) Processing helix chain 'K' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN K 293 " --> pdb=" O ARG K 289 " (cutoff:3.500A) Processing helix chain 'K' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE K 391 " --> pdb=" O LEU K 388 " (cutoff:3.500A) Processing helix chain 'K' and resid 422 through 426 Processing helix chain 'K' and resid 499 through 504 Processing helix chain 'K' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN K 554 " --> pdb=" O SER K 551 " (cutoff:3.500A) Processing helix chain 'K' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA K 565 " --> pdb=" O GLU K 562 " (cutoff:3.500A) Processing helix chain 'L' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN L 248 " --> pdb=" O THR L 245 " (cutoff:3.500A) Processing helix chain 'L' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN L 293 " --> pdb=" O ARG L 289 " (cutoff:3.500A) Processing helix chain 'L' and resid 387 through 391 removed outlier: 3.772A pdb=" N PHE L 391 " --> pdb=" O LEU L 388 " (cutoff:3.500A) Processing helix chain 'L' and resid 422 through 426 Processing helix chain 'L' and resid 499 through 504 Processing helix chain 'L' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN L 554 " --> pdb=" O SER L 551 " (cutoff:3.500A) Processing helix chain 'L' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA L 565 " --> pdb=" O GLU L 562 " (cutoff:3.500A) Processing helix chain 'M' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN M 248 " --> pdb=" O THR M 245 " (cutoff:3.500A) Processing helix chain 'M' and resid 283 through 293 removed outlier: 3.525A pdb=" N ASN M 293 " --> pdb=" O ARG M 289 " (cutoff:3.500A) Processing helix chain 'M' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE M 391 " --> pdb=" O LEU M 388 " (cutoff:3.500A) Processing helix chain 'M' and resid 422 through 426 Processing helix chain 'M' and resid 499 through 504 Processing helix chain 'M' and resid 551 through 555 removed outlier: 3.621A pdb=" N ASN M 554 " --> pdb=" O SER M 551 " (cutoff:3.500A) Processing helix chain 'M' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA M 565 " --> pdb=" O GLU M 562 " (cutoff:3.500A) Processing helix chain 'N' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN N 248 " --> pdb=" O THR N 245 " (cutoff:3.500A) Processing helix chain 'N' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN N 293 " --> pdb=" O ARG N 289 " (cutoff:3.500A) Processing helix chain 'N' and resid 387 through 391 removed outlier: 3.772A pdb=" N PHE N 391 " --> pdb=" O LEU N 388 " (cutoff:3.500A) Processing helix chain 'N' and resid 422 through 426 Processing helix chain 'N' and resid 499 through 504 Processing helix chain 'N' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN N 554 " --> pdb=" O SER N 551 " (cutoff:3.500A) Processing helix chain 'N' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA N 565 " --> pdb=" O GLU N 562 " (cutoff:3.500A) Processing helix chain 'O' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN O 248 " --> pdb=" O THR O 245 " (cutoff:3.500A) Processing helix chain 'O' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN O 293 " --> pdb=" O ARG O 289 " (cutoff:3.500A) Processing helix chain 'O' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE O 391 " --> pdb=" O LEU O 388 " (cutoff:3.500A) Processing helix chain 'O' and resid 422 through 426 Processing helix chain 'O' and resid 499 through 504 Processing helix chain 'O' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN O 554 " --> pdb=" O SER O 551 " (cutoff:3.500A) Processing helix chain 'O' and resid 560 through 565 removed outlier: 4.042A pdb=" N ALA O 565 " --> pdb=" O GLU O 562 " (cutoff:3.500A) Processing helix chain 'P' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN P 248 " --> pdb=" O THR P 245 " (cutoff:3.500A) Processing helix chain 'P' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN P 293 " --> pdb=" O ARG P 289 " (cutoff:3.500A) Processing helix chain 'P' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE P 391 " --> pdb=" O LEU P 388 " (cutoff:3.500A) Processing helix chain 'P' and resid 422 through 426 Processing helix chain 'P' and resid 499 through 504 Processing helix chain 'P' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN P 554 " --> pdb=" O SER P 551 " (cutoff:3.500A) Processing helix chain 'P' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA P 565 " --> pdb=" O GLU P 562 " (cutoff:3.500A) Processing helix chain 'Q' and resid 245 through 250 removed outlier: 4.189A pdb=" N ASN Q 248 " --> pdb=" O THR Q 245 " (cutoff:3.500A) Processing helix chain 'Q' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN Q 293 " --> pdb=" O ARG Q 289 " (cutoff:3.500A) Processing helix chain 'Q' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE Q 391 " --> pdb=" O LEU Q 388 " (cutoff:3.500A) Processing helix chain 'Q' and resid 422 through 426 Processing helix chain 'Q' and resid 499 through 504 Processing helix chain 'Q' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN Q 554 " --> pdb=" O SER Q 551 " (cutoff:3.500A) Processing helix chain 'Q' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA Q 565 " --> pdb=" O GLU Q 562 " (cutoff:3.500A) Processing helix chain 'R' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN R 248 " --> pdb=" O THR R 245 " (cutoff:3.500A) Processing helix chain 'R' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN R 293 " --> pdb=" O ARG R 289 " (cutoff:3.500A) Processing helix chain 'R' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE R 391 " --> pdb=" O LEU R 388 " (cutoff:3.500A) Processing helix chain 'R' and resid 422 through 426 Processing helix chain 'R' and resid 499 through 504 Processing helix chain 'R' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN R 554 " --> pdb=" O SER R 551 " (cutoff:3.500A) Processing helix chain 'R' and resid 560 through 565 removed outlier: 4.042A pdb=" N ALA R 565 " --> pdb=" O GLU R 562 " (cutoff:3.500A) Processing helix chain 'S' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN S 248 " --> pdb=" O THR S 245 " (cutoff:3.500A) Processing helix chain 'S' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN S 293 " --> pdb=" O ARG S 289 " (cutoff:3.500A) Processing helix chain 'S' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE S 391 " --> pdb=" O LEU S 388 " (cutoff:3.500A) Processing helix chain 'S' and resid 422 through 426 Processing helix chain 'S' and resid 499 through 504 Processing helix chain 'S' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN S 554 " --> pdb=" O SER S 551 " (cutoff:3.500A) Processing helix chain 'S' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA S 565 " --> pdb=" O GLU S 562 " (cutoff:3.500A) Processing helix chain 'T' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN T 248 " --> pdb=" O THR T 245 " (cutoff:3.500A) Processing helix chain 'T' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN T 293 " --> pdb=" O ARG T 289 " (cutoff:3.500A) Processing helix chain 'T' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE T 391 " --> pdb=" O LEU T 388 " (cutoff:3.500A) Processing helix chain 'T' and resid 422 through 426 Processing helix chain 'T' and resid 499 through 504 Processing helix chain 'T' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN T 554 " --> pdb=" O SER T 551 " (cutoff:3.500A) Processing helix chain 'T' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA T 565 " --> pdb=" O GLU T 562 " (cutoff:3.500A) Processing helix chain 'U' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN U 248 " --> pdb=" O THR U 245 " (cutoff:3.500A) Processing helix chain 'U' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN U 293 " --> pdb=" O ARG U 289 " (cutoff:3.500A) Processing helix chain 'U' and resid 387 through 391 removed outlier: 3.772A pdb=" N PHE U 391 " --> pdb=" O LEU U 388 " (cutoff:3.500A) Processing helix chain 'U' and resid 422 through 426 Processing helix chain 'U' and resid 499 through 504 Processing helix chain 'U' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN U 554 " --> pdb=" O SER U 551 " (cutoff:3.500A) Processing helix chain 'U' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA U 565 " --> pdb=" O GLU U 562 " (cutoff:3.500A) Processing helix chain 'V' and resid 245 through 250 removed outlier: 4.189A pdb=" N ASN V 248 " --> pdb=" O THR V 245 " (cutoff:3.500A) Processing helix chain 'V' and resid 283 through 293 removed outlier: 3.523A pdb=" N ASN V 293 " --> pdb=" O ARG V 289 " (cutoff:3.500A) Processing helix chain 'V' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE V 391 " --> pdb=" O LEU V 388 " (cutoff:3.500A) Processing helix chain 'V' and resid 422 through 426 Processing helix chain 'V' and resid 499 through 504 Processing helix chain 'V' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN V 554 " --> pdb=" O SER V 551 " (cutoff:3.500A) Processing helix chain 'V' and resid 560 through 565 removed outlier: 4.042A pdb=" N ALA V 565 " --> pdb=" O GLU V 562 " (cutoff:3.500A) Processing helix chain 'W' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN W 248 " --> pdb=" O THR W 245 " (cutoff:3.500A) Processing helix chain 'W' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN W 293 " --> pdb=" O ARG W 289 " (cutoff:3.500A) Processing helix chain 'W' and resid 387 through 391 removed outlier: 3.772A pdb=" N PHE W 391 " --> pdb=" O LEU W 388 " (cutoff:3.500A) Processing helix chain 'W' and resid 422 through 426 Processing helix chain 'W' and resid 499 through 504 Processing helix chain 'W' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN W 554 " --> pdb=" O SER W 551 " (cutoff:3.500A) Processing helix chain 'W' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA W 565 " --> pdb=" O GLU W 562 " (cutoff:3.500A) Processing helix chain 'X' and resid 245 through 250 removed outlier: 4.189A pdb=" N ASN X 248 " --> pdb=" O THR X 245 " (cutoff:3.500A) Processing helix chain 'X' and resid 283 through 293 removed outlier: 3.525A pdb=" N ASN X 293 " --> pdb=" O ARG X 289 " (cutoff:3.500A) Processing helix chain 'X' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE X 391 " --> pdb=" O LEU X 388 " (cutoff:3.500A) Processing helix chain 'X' and resid 422 through 426 Processing helix chain 'X' and resid 499 through 504 Processing helix chain 'X' and resid 551 through 555 removed outlier: 3.621A pdb=" N ASN X 554 " --> pdb=" O SER X 551 " (cutoff:3.500A) Processing helix chain 'X' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA X 565 " --> pdb=" O GLU X 562 " (cutoff:3.500A) Processing helix chain 'Y' and resid 245 through 250 removed outlier: 4.189A pdb=" N ASN Y 248 " --> pdb=" O THR Y 245 " (cutoff:3.500A) Processing helix chain 'Y' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN Y 293 " --> pdb=" O ARG Y 289 " (cutoff:3.500A) Processing helix chain 'Y' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE Y 391 " --> pdb=" O LEU Y 388 " (cutoff:3.500A) Processing helix chain 'Y' and resid 422 through 426 Processing helix chain 'Y' and resid 499 through 504 Processing helix chain 'Y' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN Y 554 " --> pdb=" O SER Y 551 " (cutoff:3.500A) Processing helix chain 'Y' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA Y 565 " --> pdb=" O GLU Y 562 " (cutoff:3.500A) Processing helix chain 'Z' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN Z 248 " --> pdb=" O THR Z 245 " (cutoff:3.500A) Processing helix chain 'Z' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN Z 293 " --> pdb=" O ARG Z 289 " (cutoff:3.500A) Processing helix chain 'Z' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE Z 391 " --> pdb=" O LEU Z 388 " (cutoff:3.500A) Processing helix chain 'Z' and resid 422 through 426 Processing helix chain 'Z' and resid 499 through 504 Processing helix chain 'Z' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN Z 554 " --> pdb=" O SER Z 551 " (cutoff:3.500A) Processing helix chain 'Z' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA Z 565 " --> pdb=" O GLU Z 562 " (cutoff:3.500A) Processing helix chain 'a' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN a 248 " --> pdb=" O THR a 245 " (cutoff:3.500A) Processing helix chain 'a' and resid 283 through 293 removed outlier: 3.525A pdb=" N ASN a 293 " --> pdb=" O ARG a 289 " (cutoff:3.500A) Processing helix chain 'a' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE a 391 " --> pdb=" O LEU a 388 " (cutoff:3.500A) Processing helix chain 'a' and resid 422 through 426 Processing helix chain 'a' and resid 499 through 504 Processing helix chain 'a' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN a 554 " --> pdb=" O SER a 551 " (cutoff:3.500A) Processing helix chain 'a' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA a 565 " --> pdb=" O GLU a 562 " (cutoff:3.500A) Processing helix chain 'b' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN b 248 " --> pdb=" O THR b 245 " (cutoff:3.500A) Processing helix chain 'b' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN b 293 " --> pdb=" O ARG b 289 " (cutoff:3.500A) Processing helix chain 'b' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE b 391 " --> pdb=" O LEU b 388 " (cutoff:3.500A) Processing helix chain 'b' and resid 422 through 426 Processing helix chain 'b' and resid 499 through 504 Processing helix chain 'b' and resid 551 through 555 removed outlier: 3.621A pdb=" N ASN b 554 " --> pdb=" O SER b 551 " (cutoff:3.500A) Processing helix chain 'b' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA b 565 " --> pdb=" O GLU b 562 " (cutoff:3.500A) Processing helix chain 'c' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN c 248 " --> pdb=" O THR c 245 " (cutoff:3.500A) Processing helix chain 'c' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN c 293 " --> pdb=" O ARG c 289 " (cutoff:3.500A) Processing helix chain 'c' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE c 391 " --> pdb=" O LEU c 388 " (cutoff:3.500A) Processing helix chain 'c' and resid 422 through 426 Processing helix chain 'c' and resid 499 through 504 Processing helix chain 'c' and resid 551 through 555 removed outlier: 3.621A pdb=" N ASN c 554 " --> pdb=" O SER c 551 " (cutoff:3.500A) Processing helix chain 'c' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA c 565 " --> pdb=" O GLU c 562 " (cutoff:3.500A) Processing helix chain 'd' and resid 245 through 250 removed outlier: 4.189A pdb=" N ASN d 248 " --> pdb=" O THR d 245 " (cutoff:3.500A) Processing helix chain 'd' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN d 293 " --> pdb=" O ARG d 289 " (cutoff:3.500A) Processing helix chain 'd' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE d 391 " --> pdb=" O LEU d 388 " (cutoff:3.500A) Processing helix chain 'd' and resid 422 through 426 Processing helix chain 'd' and resid 499 through 504 Processing helix chain 'd' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN d 554 " --> pdb=" O SER d 551 " (cutoff:3.500A) Processing helix chain 'd' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA d 565 " --> pdb=" O GLU d 562 " (cutoff:3.500A) Processing helix chain 'e' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN e 248 " --> pdb=" O THR e 245 " (cutoff:3.500A) Processing helix chain 'e' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN e 293 " --> pdb=" O ARG e 289 " (cutoff:3.500A) Processing helix chain 'e' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE e 391 " --> pdb=" O LEU e 388 " (cutoff:3.500A) Processing helix chain 'e' and resid 422 through 426 Processing helix chain 'e' and resid 499 through 504 Processing helix chain 'e' and resid 551 through 555 removed outlier: 3.621A pdb=" N ASN e 554 " --> pdb=" O SER e 551 " (cutoff:3.500A) Processing helix chain 'e' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA e 565 " --> pdb=" O GLU e 562 " (cutoff:3.500A) Processing helix chain 'f' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN f 248 " --> pdb=" O THR f 245 " (cutoff:3.500A) Processing helix chain 'f' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN f 293 " --> pdb=" O ARG f 289 " (cutoff:3.500A) Processing helix chain 'f' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE f 391 " --> pdb=" O LEU f 388 " (cutoff:3.500A) Processing helix chain 'f' and resid 422 through 426 Processing helix chain 'f' and resid 499 through 504 Processing helix chain 'f' and resid 551 through 555 removed outlier: 3.621A pdb=" N ASN f 554 " --> pdb=" O SER f 551 " (cutoff:3.500A) Processing helix chain 'f' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA f 565 " --> pdb=" O GLU f 562 " (cutoff:3.500A) Processing helix chain 'g' and resid 245 through 250 removed outlier: 4.189A pdb=" N ASN g 248 " --> pdb=" O THR g 245 " (cutoff:3.500A) Processing helix chain 'g' and resid 283 through 293 removed outlier: 3.523A pdb=" N ASN g 293 " --> pdb=" O ARG g 289 " (cutoff:3.500A) Processing helix chain 'g' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE g 391 " --> pdb=" O LEU g 388 " (cutoff:3.500A) Processing helix chain 'g' and resid 422 through 426 Processing helix chain 'g' and resid 499 through 504 Processing helix chain 'g' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN g 554 " --> pdb=" O SER g 551 " (cutoff:3.500A) Processing helix chain 'g' and resid 560 through 565 removed outlier: 4.042A pdb=" N ALA g 565 " --> pdb=" O GLU g 562 " (cutoff:3.500A) Processing helix chain 'h' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN h 248 " --> pdb=" O THR h 245 " (cutoff:3.500A) Processing helix chain 'h' and resid 283 through 293 removed outlier: 3.525A pdb=" N ASN h 293 " --> pdb=" O ARG h 289 " (cutoff:3.500A) Processing helix chain 'h' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE h 391 " --> pdb=" O LEU h 388 " (cutoff:3.500A) Processing helix chain 'h' and resid 422 through 426 Processing helix chain 'h' and resid 499 through 504 Processing helix chain 'h' and resid 551 through 555 removed outlier: 3.621A pdb=" N ASN h 554 " --> pdb=" O SER h 551 " (cutoff:3.500A) Processing helix chain 'h' and resid 560 through 565 removed outlier: 4.042A pdb=" N ALA h 565 " --> pdb=" O GLU h 562 " (cutoff:3.500A) Processing helix chain 'i' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN i 248 " --> pdb=" O THR i 245 " (cutoff:3.500A) Processing helix chain 'i' and resid 283 through 293 removed outlier: 3.525A pdb=" N ASN i 293 " --> pdb=" O ARG i 289 " (cutoff:3.500A) Processing helix chain 'i' and resid 387 through 391 removed outlier: 3.772A pdb=" N PHE i 391 " --> pdb=" O LEU i 388 " (cutoff:3.500A) Processing helix chain 'i' and resid 422 through 426 Processing helix chain 'i' and resid 499 through 504 Processing helix chain 'i' and resid 551 through 555 removed outlier: 3.621A pdb=" N ASN i 554 " --> pdb=" O SER i 551 " (cutoff:3.500A) Processing helix chain 'i' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA i 565 " --> pdb=" O GLU i 562 " (cutoff:3.500A) Processing helix chain 'j' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN j 248 " --> pdb=" O THR j 245 " (cutoff:3.500A) Processing helix chain 'j' and resid 283 through 293 removed outlier: 3.525A pdb=" N ASN j 293 " --> pdb=" O ARG j 289 " (cutoff:3.500A) Processing helix chain 'j' and resid 387 through 391 removed outlier: 3.772A pdb=" N PHE j 391 " --> pdb=" O LEU j 388 " (cutoff:3.500A) Processing helix chain 'j' and resid 422 through 426 Processing helix chain 'j' and resid 499 through 504 Processing helix chain 'j' and resid 551 through 555 removed outlier: 3.623A pdb=" N ASN j 554 " --> pdb=" O SER j 551 " (cutoff:3.500A) Processing helix chain 'j' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA j 565 " --> pdb=" O GLU j 562 " (cutoff:3.500A) Processing helix chain 'k' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN k 248 " --> pdb=" O THR k 245 " (cutoff:3.500A) Processing helix chain 'k' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN k 293 " --> pdb=" O ARG k 289 " (cutoff:3.500A) Processing helix chain 'k' and resid 387 through 391 removed outlier: 3.772A pdb=" N PHE k 391 " --> pdb=" O LEU k 388 " (cutoff:3.500A) Processing helix chain 'k' and resid 422 through 426 Processing helix chain 'k' and resid 499 through 504 Processing helix chain 'k' and resid 551 through 555 removed outlier: 3.621A pdb=" N ASN k 554 " --> pdb=" O SER k 551 " (cutoff:3.500A) Processing helix chain 'k' and resid 560 through 565 removed outlier: 4.042A pdb=" N ALA k 565 " --> pdb=" O GLU k 562 " (cutoff:3.500A) Processing helix chain 'l' and resid 245 through 250 removed outlier: 4.189A pdb=" N ASN l 248 " --> pdb=" O THR l 245 " (cutoff:3.500A) Processing helix chain 'l' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN l 293 " --> pdb=" O ARG l 289 " (cutoff:3.500A) Processing helix chain 'l' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE l 391 " --> pdb=" O LEU l 388 " (cutoff:3.500A) Processing helix chain 'l' and resid 422 through 426 Processing helix chain 'l' and resid 499 through 504 Processing helix chain 'l' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN l 554 " --> pdb=" O SER l 551 " (cutoff:3.500A) Processing helix chain 'l' and resid 560 through 565 removed outlier: 4.042A pdb=" N ALA l 565 " --> pdb=" O GLU l 562 " (cutoff:3.500A) Processing helix chain 'm' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN m 248 " --> pdb=" O THR m 245 " (cutoff:3.500A) Processing helix chain 'm' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN m 293 " --> pdb=" O ARG m 289 " (cutoff:3.500A) Processing helix chain 'm' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE m 391 " --> pdb=" O LEU m 388 " (cutoff:3.500A) Processing helix chain 'm' and resid 422 through 426 Processing helix chain 'm' and resid 499 through 504 Processing helix chain 'm' and resid 551 through 555 removed outlier: 3.623A pdb=" N ASN m 554 " --> pdb=" O SER m 551 " (cutoff:3.500A) Processing helix chain 'm' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA m 565 " --> pdb=" O GLU m 562 " (cutoff:3.500A) Processing helix chain 'n' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN n 248 " --> pdb=" O THR n 245 " (cutoff:3.500A) Processing helix chain 'n' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN n 293 " --> pdb=" O ARG n 289 " (cutoff:3.500A) Processing helix chain 'n' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE n 391 " --> pdb=" O LEU n 388 " (cutoff:3.500A) Processing helix chain 'n' and resid 422 through 426 Processing helix chain 'n' and resid 499 through 504 Processing helix chain 'n' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN n 554 " --> pdb=" O SER n 551 " (cutoff:3.500A) Processing helix chain 'n' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA n 565 " --> pdb=" O GLU n 562 " (cutoff:3.500A) Processing helix chain 'o' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN o 248 " --> pdb=" O THR o 245 " (cutoff:3.500A) Processing helix chain 'o' and resid 283 through 293 removed outlier: 3.525A pdb=" N ASN o 293 " --> pdb=" O ARG o 289 " (cutoff:3.500A) Processing helix chain 'o' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE o 391 " --> pdb=" O LEU o 388 " (cutoff:3.500A) Processing helix chain 'o' and resid 422 through 426 Processing helix chain 'o' and resid 499 through 504 Processing helix chain 'o' and resid 551 through 555 removed outlier: 3.621A pdb=" N ASN o 554 " --> pdb=" O SER o 551 " (cutoff:3.500A) Processing helix chain 'o' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA o 565 " --> pdb=" O GLU o 562 " (cutoff:3.500A) Processing helix chain 'p' and resid 245 through 250 removed outlier: 4.189A pdb=" N ASN p 248 " --> pdb=" O THR p 245 " (cutoff:3.500A) Processing helix chain 'p' and resid 283 through 293 removed outlier: 3.523A pdb=" N ASN p 293 " --> pdb=" O ARG p 289 " (cutoff:3.500A) Processing helix chain 'p' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE p 391 " --> pdb=" O LEU p 388 " (cutoff:3.500A) Processing helix chain 'p' and resid 422 through 426 Processing helix chain 'p' and resid 499 through 504 Processing helix chain 'p' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN p 554 " --> pdb=" O SER p 551 " (cutoff:3.500A) Processing helix chain 'p' and resid 560 through 565 removed outlier: 4.042A pdb=" N ALA p 565 " --> pdb=" O GLU p 562 " (cutoff:3.500A) Processing helix chain 'q' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN q 248 " --> pdb=" O THR q 245 " (cutoff:3.500A) Processing helix chain 'q' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN q 293 " --> pdb=" O ARG q 289 " (cutoff:3.500A) Processing helix chain 'q' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE q 391 " --> pdb=" O LEU q 388 " (cutoff:3.500A) Processing helix chain 'q' and resid 422 through 426 Processing helix chain 'q' and resid 499 through 504 Processing helix chain 'q' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN q 554 " --> pdb=" O SER q 551 " (cutoff:3.500A) Processing helix chain 'q' and resid 560 through 565 removed outlier: 4.042A pdb=" N ALA q 565 " --> pdb=" O GLU q 562 " (cutoff:3.500A) Processing helix chain 'r' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN r 248 " --> pdb=" O THR r 245 " (cutoff:3.500A) Processing helix chain 'r' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN r 293 " --> pdb=" O ARG r 289 " (cutoff:3.500A) Processing helix chain 'r' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE r 391 " --> pdb=" O LEU r 388 " (cutoff:3.500A) Processing helix chain 'r' and resid 422 through 426 Processing helix chain 'r' and resid 499 through 504 Processing helix chain 'r' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN r 554 " --> pdb=" O SER r 551 " (cutoff:3.500A) Processing helix chain 'r' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA r 565 " --> pdb=" O GLU r 562 " (cutoff:3.500A) Processing helix chain 's' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN s 248 " --> pdb=" O THR s 245 " (cutoff:3.500A) Processing helix chain 's' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN s 293 " --> pdb=" O ARG s 289 " (cutoff:3.500A) Processing helix chain 's' and resid 387 through 391 removed outlier: 3.772A pdb=" N PHE s 391 " --> pdb=" O LEU s 388 " (cutoff:3.500A) Processing helix chain 's' and resid 422 through 426 Processing helix chain 's' and resid 499 through 504 Processing helix chain 's' and resid 551 through 555 removed outlier: 3.621A pdb=" N ASN s 554 " --> pdb=" O SER s 551 " (cutoff:3.500A) Processing helix chain 's' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA s 565 " --> pdb=" O GLU s 562 " (cutoff:3.500A) Processing helix chain 't' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN t 248 " --> pdb=" O THR t 245 " (cutoff:3.500A) Processing helix chain 't' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN t 293 " --> pdb=" O ARG t 289 " (cutoff:3.500A) Processing helix chain 't' and resid 387 through 391 removed outlier: 3.772A pdb=" N PHE t 391 " --> pdb=" O LEU t 388 " (cutoff:3.500A) Processing helix chain 't' and resid 422 through 426 Processing helix chain 't' and resid 499 through 504 Processing helix chain 't' and resid 551 through 555 removed outlier: 3.621A pdb=" N ASN t 554 " --> pdb=" O SER t 551 " (cutoff:3.500A) Processing helix chain 't' and resid 560 through 565 removed outlier: 4.042A pdb=" N ALA t 565 " --> pdb=" O GLU t 562 " (cutoff:3.500A) Processing helix chain 'u' and resid 245 through 250 removed outlier: 4.189A pdb=" N ASN u 248 " --> pdb=" O THR u 245 " (cutoff:3.500A) Processing helix chain 'u' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN u 293 " --> pdb=" O ARG u 289 " (cutoff:3.500A) Processing helix chain 'u' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE u 391 " --> pdb=" O LEU u 388 " (cutoff:3.500A) Processing helix chain 'u' and resid 422 through 426 Processing helix chain 'u' and resid 499 through 504 Processing helix chain 'u' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN u 554 " --> pdb=" O SER u 551 " (cutoff:3.500A) Processing helix chain 'u' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA u 565 " --> pdb=" O GLU u 562 " (cutoff:3.500A) Processing helix chain 'v' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN v 248 " --> pdb=" O THR v 245 " (cutoff:3.500A) Processing helix chain 'v' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN v 293 " --> pdb=" O ARG v 289 " (cutoff:3.500A) Processing helix chain 'v' and resid 387 through 391 removed outlier: 3.772A pdb=" N PHE v 391 " --> pdb=" O LEU v 388 " (cutoff:3.500A) Processing helix chain 'v' and resid 422 through 426 Processing helix chain 'v' and resid 499 through 504 Processing helix chain 'v' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN v 554 " --> pdb=" O SER v 551 " (cutoff:3.500A) Processing helix chain 'v' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA v 565 " --> pdb=" O GLU v 562 " (cutoff:3.500A) Processing helix chain 'w' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN w 248 " --> pdb=" O THR w 245 " (cutoff:3.500A) Processing helix chain 'w' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN w 293 " --> pdb=" O ARG w 289 " (cutoff:3.500A) Processing helix chain 'w' and resid 387 through 391 removed outlier: 3.772A pdb=" N PHE w 391 " --> pdb=" O LEU w 388 " (cutoff:3.500A) Processing helix chain 'w' and resid 422 through 426 Processing helix chain 'w' and resid 499 through 504 Processing helix chain 'w' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN w 554 " --> pdb=" O SER w 551 " (cutoff:3.500A) Processing helix chain 'w' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA w 565 " --> pdb=" O GLU w 562 " (cutoff:3.500A) Processing helix chain 'x' and resid 245 through 250 removed outlier: 4.189A pdb=" N ASN x 248 " --> pdb=" O THR x 245 " (cutoff:3.500A) Processing helix chain 'x' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN x 293 " --> pdb=" O ARG x 289 " (cutoff:3.500A) Processing helix chain 'x' and resid 387 through 391 removed outlier: 3.772A pdb=" N PHE x 391 " --> pdb=" O LEU x 388 " (cutoff:3.500A) Processing helix chain 'x' and resid 422 through 426 Processing helix chain 'x' and resid 499 through 504 Processing helix chain 'x' and resid 551 through 555 removed outlier: 3.623A pdb=" N ASN x 554 " --> pdb=" O SER x 551 " (cutoff:3.500A) Processing helix chain 'x' and resid 560 through 565 removed outlier: 4.042A pdb=" N ALA x 565 " --> pdb=" O GLU x 562 " (cutoff:3.500A) Processing helix chain 'y' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN y 248 " --> pdb=" O THR y 245 " (cutoff:3.500A) Processing helix chain 'y' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN y 293 " --> pdb=" O ARG y 289 " (cutoff:3.500A) Processing helix chain 'y' and resid 387 through 391 removed outlier: 3.772A pdb=" N PHE y 391 " --> pdb=" O LEU y 388 " (cutoff:3.500A) Processing helix chain 'y' and resid 422 through 426 Processing helix chain 'y' and resid 499 through 504 Processing helix chain 'y' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN y 554 " --> pdb=" O SER y 551 " (cutoff:3.500A) Processing helix chain 'y' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA y 565 " --> pdb=" O GLU y 562 " (cutoff:3.500A) Processing helix chain 'z' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN z 248 " --> pdb=" O THR z 245 " (cutoff:3.500A) Processing helix chain 'z' and resid 283 through 293 removed outlier: 3.525A pdb=" N ASN z 293 " --> pdb=" O ARG z 289 " (cutoff:3.500A) Processing helix chain 'z' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE z 391 " --> pdb=" O LEU z 388 " (cutoff:3.500A) Processing helix chain 'z' and resid 422 through 426 Processing helix chain 'z' and resid 499 through 504 Processing helix chain 'z' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN z 554 " --> pdb=" O SER z 551 " (cutoff:3.500A) Processing helix chain 'z' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA z 565 " --> pdb=" O GLU z 562 " (cutoff:3.500A) Processing helix chain '1' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN 1 248 " --> pdb=" O THR 1 245 " (cutoff:3.500A) Processing helix chain '1' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN 1 293 " --> pdb=" O ARG 1 289 " (cutoff:3.500A) Processing helix chain '1' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE 1 391 " --> pdb=" O LEU 1 388 " (cutoff:3.500A) Processing helix chain '1' and resid 422 through 426 Processing helix chain '1' and resid 499 through 504 Processing helix chain '1' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN 1 554 " --> pdb=" O SER 1 551 " (cutoff:3.500A) Processing helix chain '1' and resid 560 through 565 removed outlier: 4.042A pdb=" N ALA 1 565 " --> pdb=" O GLU 1 562 " (cutoff:3.500A) Processing helix chain '2' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN 2 248 " --> pdb=" O THR 2 245 " (cutoff:3.500A) Processing helix chain '2' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN 2 293 " --> pdb=" O ARG 2 289 " (cutoff:3.500A) Processing helix chain '2' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE 2 391 " --> pdb=" O LEU 2 388 " (cutoff:3.500A) Processing helix chain '2' and resid 422 through 426 Processing helix chain '2' and resid 499 through 504 Processing helix chain '2' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN 2 554 " --> pdb=" O SER 2 551 " (cutoff:3.500A) Processing helix chain '2' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA 2 565 " --> pdb=" O GLU 2 562 " (cutoff:3.500A) Processing helix chain '3' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN 3 248 " --> pdb=" O THR 3 245 " (cutoff:3.500A) Processing helix chain '3' and resid 283 through 293 removed outlier: 3.525A pdb=" N ASN 3 293 " --> pdb=" O ARG 3 289 " (cutoff:3.500A) Processing helix chain '3' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE 3 391 " --> pdb=" O LEU 3 388 " (cutoff:3.500A) Processing helix chain '3' and resid 422 through 426 Processing helix chain '3' and resid 499 through 504 Processing helix chain '3' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN 3 554 " --> pdb=" O SER 3 551 " (cutoff:3.500A) Processing helix chain '3' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA 3 565 " --> pdb=" O GLU 3 562 " (cutoff:3.500A) Processing helix chain '4' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN 4 248 " --> pdb=" O THR 4 245 " (cutoff:3.500A) Processing helix chain '4' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN 4 293 " --> pdb=" O ARG 4 289 " (cutoff:3.500A) Processing helix chain '4' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE 4 391 " --> pdb=" O LEU 4 388 " (cutoff:3.500A) Processing helix chain '4' and resid 422 through 426 Processing helix chain '4' and resid 499 through 504 Processing helix chain '4' and resid 551 through 555 removed outlier: 3.623A pdb=" N ASN 4 554 " --> pdb=" O SER 4 551 " (cutoff:3.500A) Processing helix chain '4' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA 4 565 " --> pdb=" O GLU 4 562 " (cutoff:3.500A) Processing helix chain '5' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN 5 248 " --> pdb=" O THR 5 245 " (cutoff:3.500A) Processing helix chain '5' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN 5 293 " --> pdb=" O ARG 5 289 " (cutoff:3.500A) Processing helix chain '5' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE 5 391 " --> pdb=" O LEU 5 388 " (cutoff:3.500A) Processing helix chain '5' and resid 422 through 426 Processing helix chain '5' and resid 499 through 504 Processing helix chain '5' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN 5 554 " --> pdb=" O SER 5 551 " (cutoff:3.500A) Processing helix chain '5' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA 5 565 " --> pdb=" O GLU 5 562 " (cutoff:3.500A) Processing helix chain '6' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN 6 248 " --> pdb=" O THR 6 245 " (cutoff:3.500A) Processing helix chain '6' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN 6 293 " --> pdb=" O ARG 6 289 " (cutoff:3.500A) Processing helix chain '6' and resid 387 through 391 removed outlier: 3.772A pdb=" N PHE 6 391 " --> pdb=" O LEU 6 388 " (cutoff:3.500A) Processing helix chain '6' and resid 422 through 426 Processing helix chain '6' and resid 499 through 504 Processing helix chain '6' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN 6 554 " --> pdb=" O SER 6 551 " (cutoff:3.500A) Processing helix chain '6' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA 6 565 " --> pdb=" O GLU 6 562 " (cutoff:3.500A) Processing helix chain '7' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN 7 248 " --> pdb=" O THR 7 245 " (cutoff:3.500A) Processing helix chain '7' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN 7 293 " --> pdb=" O ARG 7 289 " (cutoff:3.500A) Processing helix chain '7' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE 7 391 " --> pdb=" O LEU 7 388 " (cutoff:3.500A) Processing helix chain '7' and resid 422 through 426 Processing helix chain '7' and resid 499 through 504 Processing helix chain '7' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN 7 554 " --> pdb=" O SER 7 551 " (cutoff:3.500A) Processing helix chain '7' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA 7 565 " --> pdb=" O GLU 7 562 " (cutoff:3.500A) Processing helix chain '8' and resid 245 through 250 removed outlier: 4.190A pdb=" N ASN 8 248 " --> pdb=" O THR 8 245 " (cutoff:3.500A) Processing helix chain '8' and resid 283 through 293 removed outlier: 3.524A pdb=" N ASN 8 293 " --> pdb=" O ARG 8 289 " (cutoff:3.500A) Processing helix chain '8' and resid 387 through 391 removed outlier: 3.773A pdb=" N PHE 8 391 " --> pdb=" O LEU 8 388 " (cutoff:3.500A) Processing helix chain '8' and resid 422 through 426 Processing helix chain '8' and resid 499 through 504 Processing helix chain '8' and resid 551 through 555 removed outlier: 3.622A pdb=" N ASN 8 554 " --> pdb=" O SER 8 551 " (cutoff:3.500A) Processing helix chain '8' and resid 560 through 565 removed outlier: 4.043A pdb=" N ALA 8 565 " --> pdb=" O GLU 8 562 " (cutoff:3.500A) Processing sheet with id=AA1, first strand: chain 'A' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE A 361 " --> pdb=" O THR A 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR A 240 " --> pdb=" O PHE A 361 " (cutoff:3.500A) Processing sheet with id=AA2, first strand: chain 'A' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR A 671 " --> pdb=" O GLN A 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN A 310 " --> pdb=" O TYR A 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR A 673 " --> pdb=" O ASN A 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN A 308 " --> pdb=" O THR A 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN A 675 " --> pdb=" O ILE A 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE A 306 " --> pdb=" O GLN A 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA A 677 " --> pdb=" O VAL A 304 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL A 304 " --> pdb=" O ALA A 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN A 679 " --> pdb=" O MET A 302 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N MET A 302 " --> pdb=" O GLN A 679 " (cutoff:3.500A) removed outlier: 6.487A pdb=" N GLU A 681 " --> pdb=" O LYS A 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY A 296 " --> pdb=" O GLU A 685 " (cutoff:3.500A) Processing sheet with id=AA3, first strand: chain 'A' and resid 402 through 407 Processing sheet with id=AA4, first strand: chain 'A' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR A 366 " --> pdb=" O THR A 268 " (cutoff:3.500A) Processing sheet with id=AA5, first strand: chain 'A' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN A 648 " --> pdb=" O PRO A 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE A 644 " --> pdb=" O PHE A 273 " (cutoff:3.500A) Processing sheet with id=AA6, first strand: chain 'A' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA A 418 " --> pdb=" O ASN A 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=AA6 Processing sheet with id=AA7, first strand: chain 'A' and resid 436 through 440 removed outlier: 5.227A pdb=" N LEU A 438 " --> pdb=" O GLY A 457 " (cutoff:3.500A) removed outlier: 6.234A pdb=" N GLY A 457 " --> pdb=" O LEU A 438 " (cutoff:3.500A) Processing sheet with id=AA8, first strand: chain 'A' and resid 476 through 477 Processing sheet with id=AA9, first strand: chain 'A' and resid 482 through 483 Processing sheet with id=AB1, first strand: chain 'A' and resid 512 through 515 removed outlier: 4.128A pdb=" N GLY I 575 " --> pdb=" O VAL I 593 " (cutoff:3.500A) Processing sheet with id=AB2, first strand: chain 'A' and resid 538 through 539 Processing sheet with id=AB3, first strand: chain 'A' and resid 548 through 549 removed outlier: 6.234A pdb=" N GLY I 457 " --> pdb=" O LEU I 438 " (cutoff:3.500A) removed outlier: 5.227A pdb=" N LEU I 438 " --> pdb=" O GLY I 457 " (cutoff:3.500A) Processing sheet with id=AB4, first strand: chain 'A' and resid 590 through 593 removed outlier: 4.128A pdb=" N GLY A 575 " --> pdb=" O VAL A 593 " (cutoff:3.500A) Processing sheet with id=AB5, first strand: chain 'A' and resid 602 through 604 removed outlier: 3.701A pdb=" N MET A 602 " --> pdb=" O PHE G 626 " (cutoff:3.500A) Processing sheet with id=AB6, first strand: chain 'A' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA A 617 " --> pdb=" O LEU A 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=AB6 Processing sheet with id=AB7, first strand: chain 'A' and resid 624 through 626 removed outlier: 3.707A pdb=" N MET I 602 " --> pdb=" O PHE A 626 " (cutoff:3.500A) Processing sheet with id=AB8, first strand: chain 'B' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE B 361 " --> pdb=" O THR B 238 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N THR B 240 " --> pdb=" O PHE B 361 " (cutoff:3.500A) Processing sheet with id=AB9, first strand: chain 'B' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR B 671 " --> pdb=" O GLN B 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN B 310 " --> pdb=" O TYR B 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR B 673 " --> pdb=" O ASN B 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN B 308 " --> pdb=" O THR B 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN B 675 " --> pdb=" O ILE B 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE B 306 " --> pdb=" O GLN B 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA B 677 " --> pdb=" O VAL B 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL B 304 " --> pdb=" O ALA B 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN B 679 " --> pdb=" O MET B 302 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N MET B 302 " --> pdb=" O GLN B 679 " (cutoff:3.500A) removed outlier: 6.488A pdb=" N GLU B 681 " --> pdb=" O LYS B 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY B 296 " --> pdb=" O GLU B 685 " (cutoff:3.500A) Processing sheet with id=AC1, first strand: chain 'B' and resid 402 through 407 Processing sheet with id=AC2, first strand: chain 'B' and resid 252 through 256 removed outlier: 4.565A pdb=" N TYR B 366 " --> pdb=" O THR B 268 " (cutoff:3.500A) Processing sheet with id=AC3, first strand: chain 'B' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN B 648 " --> pdb=" O PRO B 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE B 644 " --> pdb=" O PHE B 273 " (cutoff:3.500A) Processing sheet with id=AC4, first strand: chain 'B' and resid 418 through 419 removed outlier: 5.859A pdb=" N ALA B 418 " --> pdb=" O ASN B 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=AC4 Processing sheet with id=AC5, first strand: chain 'B' and resid 436 through 440 removed outlier: 5.227A pdb=" N LEU B 438 " --> pdb=" O GLY B 457 " (cutoff:3.500A) removed outlier: 6.235A pdb=" N GLY B 457 " --> pdb=" O LEU B 438 " (cutoff:3.500A) Processing sheet with id=AC6, first strand: chain 'B' and resid 476 through 477 Processing sheet with id=AC7, first strand: chain 'B' and resid 482 through 483 Processing sheet with id=AC8, first strand: chain 'B' and resid 512 through 515 removed outlier: 4.128A pdb=" N GLY L 575 " --> pdb=" O VAL L 593 " (cutoff:3.500A) Processing sheet with id=AC9, first strand: chain 'B' and resid 538 through 539 Processing sheet with id=AD1, first strand: chain 'B' and resid 548 through 549 removed outlier: 6.234A pdb=" N GLY L 457 " --> pdb=" O LEU L 438 " (cutoff:3.500A) removed outlier: 5.226A pdb=" N LEU L 438 " --> pdb=" O GLY L 457 " (cutoff:3.500A) Processing sheet with id=AD2, first strand: chain 'B' and resid 590 through 593 removed outlier: 4.128A pdb=" N GLY B 575 " --> pdb=" O VAL B 593 " (cutoff:3.500A) Processing sheet with id=AD3, first strand: chain 'B' and resid 602 through 604 removed outlier: 3.701A pdb=" N MET B 602 " --> pdb=" O PHE J 626 " (cutoff:3.500A) Processing sheet with id=AD4, first strand: chain 'B' and resid 616 through 618 removed outlier: 6.255A pdb=" N ALA B 617 " --> pdb=" O LEU B 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=AD4 Processing sheet with id=AD5, first strand: chain 'B' and resid 624 through 626 removed outlier: 3.702A pdb=" N MET L 602 " --> pdb=" O PHE B 626 " (cutoff:3.500A) Processing sheet with id=AD6, first strand: chain 'C' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE C 361 " --> pdb=" O THR C 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR C 240 " --> pdb=" O PHE C 361 " (cutoff:3.500A) Processing sheet with id=AD7, first strand: chain 'C' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR C 671 " --> pdb=" O GLN C 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN C 310 " --> pdb=" O TYR C 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR C 673 " --> pdb=" O ASN C 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN C 308 " --> pdb=" O THR C 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN C 675 " --> pdb=" O ILE C 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE C 306 " --> pdb=" O GLN C 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA C 677 " --> pdb=" O VAL C 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL C 304 " --> pdb=" O ALA C 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN C 679 " --> pdb=" O MET C 302 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N MET C 302 " --> pdb=" O GLN C 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU C 681 " --> pdb=" O LYS C 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY C 296 " --> pdb=" O GLU C 685 " (cutoff:3.500A) Processing sheet with id=AD8, first strand: chain 'C' and resid 402 through 407 Processing sheet with id=AD9, first strand: chain 'C' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR C 366 " --> pdb=" O THR C 268 " (cutoff:3.500A) Processing sheet with id=AE1, first strand: chain 'C' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN C 648 " --> pdb=" O PRO C 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE C 644 " --> pdb=" O PHE C 273 " (cutoff:3.500A) Processing sheet with id=AE2, first strand: chain 'C' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA C 418 " --> pdb=" O ASN C 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=AE2 Processing sheet with id=AE3, first strand: chain 'C' and resid 436 through 440 removed outlier: 5.227A pdb=" N LEU C 438 " --> pdb=" O GLY C 457 " (cutoff:3.500A) removed outlier: 6.234A pdb=" N GLY C 457 " --> pdb=" O LEU C 438 " (cutoff:3.500A) Processing sheet with id=AE4, first strand: chain 'C' and resid 476 through 477 Processing sheet with id=AE5, first strand: chain 'C' and resid 482 through 483 Processing sheet with id=AE6, first strand: chain 'C' and resid 512 through 515 removed outlier: 4.128A pdb=" N GLY M 575 " --> pdb=" O VAL M 593 " (cutoff:3.500A) Processing sheet with id=AE7, first strand: chain 'C' and resid 538 through 539 Processing sheet with id=AE8, first strand: chain 'C' and resid 548 through 549 removed outlier: 6.234A pdb=" N GLY M 457 " --> pdb=" O LEU M 438 " (cutoff:3.500A) removed outlier: 5.227A pdb=" N LEU M 438 " --> pdb=" O GLY M 457 " (cutoff:3.500A) Processing sheet with id=AE9, first strand: chain 'C' and resid 590 through 593 removed outlier: 4.127A pdb=" N GLY C 575 " --> pdb=" O VAL C 593 " (cutoff:3.500A) Processing sheet with id=AF1, first strand: chain 'C' and resid 602 through 604 removed outlier: 3.703A pdb=" N MET C 602 " --> pdb=" O PHE b 626 " (cutoff:3.500A) Processing sheet with id=AF2, first strand: chain 'C' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA C 617 " --> pdb=" O LEU C 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=AF2 Processing sheet with id=AF3, first strand: chain 'C' and resid 624 through 626 removed outlier: 3.703A pdb=" N MET M 602 " --> pdb=" O PHE C 626 " (cutoff:3.500A) Processing sheet with id=AF4, first strand: chain 'D' and resid 226 through 228 removed outlier: 9.042A pdb=" N PHE D 361 " --> pdb=" O THR D 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR D 240 " --> pdb=" O PHE D 361 " (cutoff:3.500A) Processing sheet with id=AF5, first strand: chain 'D' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR D 671 " --> pdb=" O GLN D 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN D 310 " --> pdb=" O TYR D 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR D 673 " --> pdb=" O ASN D 308 " (cutoff:3.500A) removed outlier: 6.499A pdb=" N ASN D 308 " --> pdb=" O THR D 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN D 675 " --> pdb=" O ILE D 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE D 306 " --> pdb=" O GLN D 675 " (cutoff:3.500A) removed outlier: 6.619A pdb=" N ALA D 677 " --> pdb=" O VAL D 304 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL D 304 " --> pdb=" O ALA D 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN D 679 " --> pdb=" O MET D 302 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N MET D 302 " --> pdb=" O GLN D 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU D 681 " --> pdb=" O LYS D 300 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N GLY D 296 " --> pdb=" O GLU D 685 " (cutoff:3.500A) Processing sheet with id=AF6, first strand: chain 'D' and resid 402 through 407 Processing sheet with id=AF7, first strand: chain 'D' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR D 366 " --> pdb=" O THR D 268 " (cutoff:3.500A) Processing sheet with id=AF8, first strand: chain 'D' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN D 648 " --> pdb=" O PRO D 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE D 644 " --> pdb=" O PHE D 273 " (cutoff:3.500A) Processing sheet with id=AF9, first strand: chain 'D' and resid 418 through 419 removed outlier: 5.861A pdb=" N ALA D 418 " --> pdb=" O ASN D 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=AF9 Processing sheet with id=AG1, first strand: chain 'D' and resid 436 through 440 removed outlier: 5.227A pdb=" N LEU D 438 " --> pdb=" O GLY D 457 " (cutoff:3.500A) removed outlier: 6.235A pdb=" N GLY D 457 " --> pdb=" O LEU D 438 " (cutoff:3.500A) Processing sheet with id=AG2, first strand: chain 'D' and resid 476 through 477 Processing sheet with id=AG3, first strand: chain 'D' and resid 482 through 483 Processing sheet with id=AG4, first strand: chain 'D' and resid 512 through 515 removed outlier: 4.128A pdb=" N GLY P 575 " --> pdb=" O VAL P 593 " (cutoff:3.500A) Processing sheet with id=AG5, first strand: chain 'D' and resid 538 through 539 Processing sheet with id=AG6, first strand: chain 'D' and resid 548 through 549 removed outlier: 6.235A pdb=" N GLY P 457 " --> pdb=" O LEU P 438 " (cutoff:3.500A) removed outlier: 5.227A pdb=" N LEU P 438 " --> pdb=" O GLY P 457 " (cutoff:3.500A) Processing sheet with id=AG7, first strand: chain 'D' and resid 590 through 593 removed outlier: 4.128A pdb=" N GLY D 575 " --> pdb=" O VAL D 593 " (cutoff:3.500A) Processing sheet with id=AG8, first strand: chain 'D' and resid 602 through 604 removed outlier: 3.690A pdb=" N MET D 602 " --> pdb=" O PHE N 626 " (cutoff:3.500A) Processing sheet with id=AG9, first strand: chain 'D' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA D 617 " --> pdb=" O LEU D 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=AG9 Processing sheet with id=AH1, first strand: chain 'D' and resid 624 through 626 removed outlier: 3.701A pdb=" N MET P 602 " --> pdb=" O PHE D 626 " (cutoff:3.500A) Processing sheet with id=AH2, first strand: chain 'E' and resid 226 through 228 removed outlier: 9.042A pdb=" N PHE E 361 " --> pdb=" O THR E 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR E 240 " --> pdb=" O PHE E 361 " (cutoff:3.500A) Processing sheet with id=AH3, first strand: chain 'E' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR E 671 " --> pdb=" O GLN E 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN E 310 " --> pdb=" O TYR E 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR E 673 " --> pdb=" O ASN E 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN E 308 " --> pdb=" O THR E 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN E 675 " --> pdb=" O ILE E 306 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N ILE E 306 " --> pdb=" O GLN E 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA E 677 " --> pdb=" O VAL E 304 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL E 304 " --> pdb=" O ALA E 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN E 679 " --> pdb=" O MET E 302 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N MET E 302 " --> pdb=" O GLN E 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU E 681 " --> pdb=" O LYS E 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY E 296 " --> pdb=" O GLU E 685 " (cutoff:3.500A) Processing sheet with id=AH4, first strand: chain 'E' and resid 402 through 407 Processing sheet with id=AH5, first strand: chain 'E' and resid 252 through 256 removed outlier: 4.565A pdb=" N TYR E 366 " --> pdb=" O THR E 268 " (cutoff:3.500A) Processing sheet with id=AH6, first strand: chain 'E' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN E 648 " --> pdb=" O PRO E 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE E 644 " --> pdb=" O PHE E 273 " (cutoff:3.500A) Processing sheet with id=AH7, first strand: chain 'E' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA E 418 " --> pdb=" O ASN E 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=AH7 Processing sheet with id=AH8, first strand: chain 'E' and resid 436 through 440 removed outlier: 5.226A pdb=" N LEU E 438 " --> pdb=" O GLY E 457 " (cutoff:3.500A) removed outlier: 6.234A pdb=" N GLY E 457 " --> pdb=" O LEU E 438 " (cutoff:3.500A) Processing sheet with id=AH9, first strand: chain 'E' and resid 476 through 477 Processing sheet with id=AI1, first strand: chain 'E' and resid 482 through 483 Processing sheet with id=AI2, first strand: chain 'E' and resid 512 through 515 removed outlier: 4.128A pdb=" N GLY F 575 " --> pdb=" O VAL F 593 " (cutoff:3.500A) Processing sheet with id=AI3, first strand: chain 'E' and resid 538 through 539 Processing sheet with id=AI4, first strand: chain 'E' and resid 548 through 549 removed outlier: 6.234A pdb=" N GLY F 457 " --> pdb=" O LEU F 438 " (cutoff:3.500A) removed outlier: 5.226A pdb=" N LEU F 438 " --> pdb=" O GLY F 457 " (cutoff:3.500A) Processing sheet with id=AI5, first strand: chain 'E' and resid 590 through 593 removed outlier: 4.128A pdb=" N GLY E 575 " --> pdb=" O VAL E 593 " (cutoff:3.500A) Processing sheet with id=AI6, first strand: chain 'E' and resid 602 through 604 removed outlier: 3.703A pdb=" N MET E 602 " --> pdb=" O PHE Q 626 " (cutoff:3.500A) Processing sheet with id=AI7, first strand: chain 'E' and resid 616 through 618 removed outlier: 6.255A pdb=" N ALA E 617 " --> pdb=" O LEU E 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=AI7 Processing sheet with id=AI8, first strand: chain 'E' and resid 624 through 626 removed outlier: 3.699A pdb=" N MET F 602 " --> pdb=" O PHE E 626 " (cutoff:3.500A) Processing sheet with id=AI9, first strand: chain 'F' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE F 361 " --> pdb=" O THR F 238 " (cutoff:3.500A) removed outlier: 6.501A pdb=" N THR F 240 " --> pdb=" O PHE F 361 " (cutoff:3.500A) Processing sheet with id=AJ1, first strand: chain 'F' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR F 671 " --> pdb=" O GLN F 310 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN F 310 " --> pdb=" O TYR F 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR F 673 " --> pdb=" O ASN F 308 " (cutoff:3.500A) removed outlier: 6.499A pdb=" N ASN F 308 " --> pdb=" O THR F 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN F 675 " --> pdb=" O ILE F 306 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N ILE F 306 " --> pdb=" O GLN F 675 " (cutoff:3.500A) removed outlier: 6.619A pdb=" N ALA F 677 " --> pdb=" O VAL F 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL F 304 " --> pdb=" O ALA F 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN F 679 " --> pdb=" O MET F 302 " (cutoff:3.500A) removed outlier: 4.230A pdb=" N MET F 302 " --> pdb=" O GLN F 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU F 681 " --> pdb=" O LYS F 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY F 296 " --> pdb=" O GLU F 685 " (cutoff:3.500A) Processing sheet with id=AJ2, first strand: chain 'F' and resid 402 through 407 Processing sheet with id=AJ3, first strand: chain 'F' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR F 366 " --> pdb=" O THR F 268 " (cutoff:3.500A) Processing sheet with id=AJ4, first strand: chain 'F' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN F 648 " --> pdb=" O PRO F 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE F 644 " --> pdb=" O PHE F 273 " (cutoff:3.500A) Processing sheet with id=AJ5, first strand: chain 'F' and resid 418 through 419 removed outlier: 5.859A pdb=" N ALA F 418 " --> pdb=" O ASN F 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=AJ5 Processing sheet with id=AJ6, first strand: chain 'F' and resid 476 through 477 Processing sheet with id=AJ7, first strand: chain 'F' and resid 482 through 483 Processing sheet with id=AJ8, first strand: chain 'F' and resid 512 through 515 removed outlier: 4.128A pdb=" N GLY Q 575 " --> pdb=" O VAL Q 593 " (cutoff:3.500A) Processing sheet with id=AJ9, first strand: chain 'F' and resid 538 through 539 Processing sheet with id=AK1, first strand: chain 'F' and resid 548 through 549 removed outlier: 6.234A pdb=" N GLY Q 457 " --> pdb=" O LEU Q 438 " (cutoff:3.500A) removed outlier: 5.227A pdb=" N LEU Q 438 " --> pdb=" O GLY Q 457 " (cutoff:3.500A) Processing sheet with id=AK2, first strand: chain 'F' and resid 616 through 618 removed outlier: 6.255A pdb=" N ALA F 617 " --> pdb=" O LEU F 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=AK2 Processing sheet with id=AK3, first strand: chain 'F' and resid 624 through 626 removed outlier: 3.704A pdb=" N MET Q 602 " --> pdb=" O PHE F 626 " (cutoff:3.500A) Processing sheet with id=AK4, first strand: chain 'G' and resid 226 through 228 removed outlier: 9.042A pdb=" N PHE G 361 " --> pdb=" O THR G 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR G 240 " --> pdb=" O PHE G 361 " (cutoff:3.500A) Processing sheet with id=AK5, first strand: chain 'G' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR G 671 " --> pdb=" O GLN G 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN G 310 " --> pdb=" O TYR G 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR G 673 " --> pdb=" O ASN G 308 " (cutoff:3.500A) removed outlier: 6.499A pdb=" N ASN G 308 " --> pdb=" O THR G 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN G 675 " --> pdb=" O ILE G 306 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N ILE G 306 " --> pdb=" O GLN G 675 " (cutoff:3.500A) removed outlier: 6.619A pdb=" N ALA G 677 " --> pdb=" O VAL G 304 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL G 304 " --> pdb=" O ALA G 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN G 679 " --> pdb=" O MET G 302 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N MET G 302 " --> pdb=" O GLN G 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU G 681 " --> pdb=" O LYS G 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY G 296 " --> pdb=" O GLU G 685 " (cutoff:3.500A) Processing sheet with id=AK6, first strand: chain 'G' and resid 402 through 407 Processing sheet with id=AK7, first strand: chain 'G' and resid 252 through 256 removed outlier: 4.565A pdb=" N TYR G 366 " --> pdb=" O THR G 268 " (cutoff:3.500A) Processing sheet with id=AK8, first strand: chain 'G' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN G 648 " --> pdb=" O PRO G 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE G 644 " --> pdb=" O PHE G 273 " (cutoff:3.500A) Processing sheet with id=AK9, first strand: chain 'G' and resid 418 through 419 removed outlier: 5.859A pdb=" N ALA G 418 " --> pdb=" O ASN G 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=AK9 Processing sheet with id=AL1, first strand: chain 'G' and resid 436 through 440 removed outlier: 5.227A pdb=" N LEU G 438 " --> pdb=" O GLY G 457 " (cutoff:3.500A) removed outlier: 6.233A pdb=" N GLY G 457 " --> pdb=" O LEU G 438 " (cutoff:3.500A) Processing sheet with id=AL2, first strand: chain 'G' and resid 476 through 477 Processing sheet with id=AL3, first strand: chain 'G' and resid 482 through 483 Processing sheet with id=AL4, first strand: chain 'G' and resid 538 through 539 Processing sheet with id=AL5, first strand: chain 'G' and resid 590 through 593 removed outlier: 4.128A pdb=" N GLY G 575 " --> pdb=" O VAL G 593 " (cutoff:3.500A) Processing sheet with id=AL6, first strand: chain 'G' and resid 602 through 604 removed outlier: 3.703A pdb=" N MET G 602 " --> pdb=" O PHE I 626 " (cutoff:3.500A) Processing sheet with id=AL7, first strand: chain 'G' and resid 616 through 618 removed outlier: 6.255A pdb=" N ALA G 617 " --> pdb=" O LEU G 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=AL7 Processing sheet with id=AL8, first strand: chain 'H' and resid 226 through 228 removed outlier: 9.042A pdb=" N PHE H 361 " --> pdb=" O THR H 238 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N THR H 240 " --> pdb=" O PHE H 361 " (cutoff:3.500A) Processing sheet with id=AL9, first strand: chain 'H' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR H 671 " --> pdb=" O GLN H 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN H 310 " --> pdb=" O TYR H 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR H 673 " --> pdb=" O ASN H 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN H 308 " --> pdb=" O THR H 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN H 675 " --> pdb=" O ILE H 306 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N ILE H 306 " --> pdb=" O GLN H 675 " (cutoff:3.500A) removed outlier: 6.619A pdb=" N ALA H 677 " --> pdb=" O VAL H 304 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL H 304 " --> pdb=" O ALA H 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN H 679 " --> pdb=" O MET H 302 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N MET H 302 " --> pdb=" O GLN H 679 " (cutoff:3.500A) removed outlier: 6.487A pdb=" N GLU H 681 " --> pdb=" O LYS H 300 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N GLY H 296 " --> pdb=" O GLU H 685 " (cutoff:3.500A) Processing sheet with id=AM1, first strand: chain 'H' and resid 402 through 407 Processing sheet with id=AM2, first strand: chain 'H' and resid 252 through 256 removed outlier: 4.565A pdb=" N TYR H 366 " --> pdb=" O THR H 268 " (cutoff:3.500A) Processing sheet with id=AM3, first strand: chain 'H' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN H 648 " --> pdb=" O PRO H 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE H 644 " --> pdb=" O PHE H 273 " (cutoff:3.500A) Processing sheet with id=AM4, first strand: chain 'H' and resid 418 through 419 removed outlier: 5.859A pdb=" N ALA H 418 " --> pdb=" O ASN H 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=AM4 Processing sheet with id=AM5, first strand: chain 'H' and resid 436 through 440 removed outlier: 5.227A pdb=" N LEU H 438 " --> pdb=" O GLY H 457 " (cutoff:3.500A) removed outlier: 6.235A pdb=" N GLY H 457 " --> pdb=" O LEU H 438 " (cutoff:3.500A) Processing sheet with id=AM6, first strand: chain 'H' and resid 476 through 477 Processing sheet with id=AM7, first strand: chain 'H' and resid 482 through 483 Processing sheet with id=AM8, first strand: chain 'H' and resid 512 through 515 removed outlier: 4.128A pdb=" N GLY Y 575 " --> pdb=" O VAL Y 593 " (cutoff:3.500A) Processing sheet with id=AM9, first strand: chain 'H' and resid 538 through 539 Processing sheet with id=AN1, first strand: chain 'H' and resid 548 through 549 removed outlier: 6.235A pdb=" N GLY Y 457 " --> pdb=" O LEU Y 438 " (cutoff:3.500A) removed outlier: 5.226A pdb=" N LEU Y 438 " --> pdb=" O GLY Y 457 " (cutoff:3.500A) Processing sheet with id=AN2, first strand: chain 'H' and resid 590 through 593 removed outlier: 4.128A pdb=" N GLY H 575 " --> pdb=" O VAL H 593 " (cutoff:3.500A) Processing sheet with id=AN3, first strand: chain 'H' and resid 602 through 604 removed outlier: 3.701A pdb=" N MET H 602 " --> pdb=" O PHE W 626 " (cutoff:3.500A) Processing sheet with id=AN4, first strand: chain 'H' and resid 616 through 618 removed outlier: 6.257A pdb=" N ALA H 617 " --> pdb=" O LEU H 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=AN4 Processing sheet with id=AN5, first strand: chain 'H' and resid 624 through 626 removed outlier: 3.717A pdb=" N MET Y 602 " --> pdb=" O PHE H 626 " (cutoff:3.500A) Processing sheet with id=AN6, first strand: chain 'I' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE I 361 " --> pdb=" O THR I 238 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N THR I 240 " --> pdb=" O PHE I 361 " (cutoff:3.500A) Processing sheet with id=AN7, first strand: chain 'I' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR I 671 " --> pdb=" O GLN I 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN I 310 " --> pdb=" O TYR I 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR I 673 " --> pdb=" O ASN I 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN I 308 " --> pdb=" O THR I 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN I 675 " --> pdb=" O ILE I 306 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N ILE I 306 " --> pdb=" O GLN I 675 " (cutoff:3.500A) removed outlier: 6.619A pdb=" N ALA I 677 " --> pdb=" O VAL I 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL I 304 " --> pdb=" O ALA I 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN I 679 " --> pdb=" O MET I 302 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N MET I 302 " --> pdb=" O GLN I 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU I 681 " --> pdb=" O LYS I 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY I 296 " --> pdb=" O GLU I 685 " (cutoff:3.500A) Processing sheet with id=AN8, first strand: chain 'I' and resid 402 through 407 Processing sheet with id=AN9, first strand: chain 'I' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR I 366 " --> pdb=" O THR I 268 " (cutoff:3.500A) Processing sheet with id=AO1, first strand: chain 'I' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN I 648 " --> pdb=" O PRO I 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE I 644 " --> pdb=" O PHE I 273 " (cutoff:3.500A) Processing sheet with id=AO2, first strand: chain 'I' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA I 418 " --> pdb=" O ASN I 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=AO2 Processing sheet with id=AO3, first strand: chain 'I' and resid 476 through 477 Processing sheet with id=AO4, first strand: chain 'I' and resid 482 through 483 Processing sheet with id=AO5, first strand: chain 'I' and resid 538 through 539 Processing sheet with id=AO6, first strand: chain 'I' and resid 616 through 618 removed outlier: 6.257A pdb=" N ALA I 617 " --> pdb=" O LEU I 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=AO6 Processing sheet with id=AO7, first strand: chain 'J' and resid 226 through 228 removed outlier: 9.042A pdb=" N PHE J 361 " --> pdb=" O THR J 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR J 240 " --> pdb=" O PHE J 361 " (cutoff:3.500A) Processing sheet with id=AO8, first strand: chain 'J' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR J 671 " --> pdb=" O GLN J 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN J 310 " --> pdb=" O TYR J 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR J 673 " --> pdb=" O ASN J 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN J 308 " --> pdb=" O THR J 673 " (cutoff:3.500A) removed outlier: 6.907A pdb=" N GLN J 675 " --> pdb=" O ILE J 306 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N ILE J 306 " --> pdb=" O GLN J 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA J 677 " --> pdb=" O VAL J 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL J 304 " --> pdb=" O ALA J 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN J 679 " --> pdb=" O MET J 302 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N MET J 302 " --> pdb=" O GLN J 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU J 681 " --> pdb=" O LYS J 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY J 296 " --> pdb=" O GLU J 685 " (cutoff:3.500A) Processing sheet with id=AO9, first strand: chain 'J' and resid 402 through 407 Processing sheet with id=AP1, first strand: chain 'J' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR J 366 " --> pdb=" O THR J 268 " (cutoff:3.500A) Processing sheet with id=AP2, first strand: chain 'J' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN J 648 " --> pdb=" O PRO J 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE J 644 " --> pdb=" O PHE J 273 " (cutoff:3.500A) Processing sheet with id=AP3, first strand: chain 'J' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA J 418 " --> pdb=" O ASN J 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=AP3 Processing sheet with id=AP4, first strand: chain 'J' and resid 436 through 440 removed outlier: 5.226A pdb=" N LEU J 438 " --> pdb=" O GLY J 457 " (cutoff:3.500A) removed outlier: 6.234A pdb=" N GLY J 457 " --> pdb=" O LEU J 438 " (cutoff:3.500A) Processing sheet with id=AP5, first strand: chain 'J' and resid 476 through 477 Processing sheet with id=AP6, first strand: chain 'J' and resid 482 through 483 Processing sheet with id=AP7, first strand: chain 'J' and resid 538 through 539 Processing sheet with id=AP8, first strand: chain 'J' and resid 590 through 593 removed outlier: 4.127A pdb=" N GLY J 575 " --> pdb=" O VAL J 593 " (cutoff:3.500A) Processing sheet with id=AP9, first strand: chain 'J' and resid 602 through 604 removed outlier: 3.702A pdb=" N MET J 602 " --> pdb=" O PHE L 626 " (cutoff:3.500A) Processing sheet with id=AQ1, first strand: chain 'J' and resid 616 through 618 removed outlier: 6.255A pdb=" N ALA J 617 " --> pdb=" O LEU J 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=AQ1 Processing sheet with id=AQ2, first strand: chain 'K' and resid 226 through 228 removed outlier: 9.042A pdb=" N PHE K 361 " --> pdb=" O THR K 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR K 240 " --> pdb=" O PHE K 361 " (cutoff:3.500A) Processing sheet with id=AQ3, first strand: chain 'K' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR K 671 " --> pdb=" O GLN K 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN K 310 " --> pdb=" O TYR K 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR K 673 " --> pdb=" O ASN K 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN K 308 " --> pdb=" O THR K 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN K 675 " --> pdb=" O ILE K 306 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N ILE K 306 " --> pdb=" O GLN K 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA K 677 " --> pdb=" O VAL K 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL K 304 " --> pdb=" O ALA K 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN K 679 " --> pdb=" O MET K 302 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N MET K 302 " --> pdb=" O GLN K 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU K 681 " --> pdb=" O LYS K 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY K 296 " --> pdb=" O GLU K 685 " (cutoff:3.500A) Processing sheet with id=AQ4, first strand: chain 'K' and resid 402 through 407 Processing sheet with id=AQ5, first strand: chain 'K' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR K 366 " --> pdb=" O THR K 268 " (cutoff:3.500A) Processing sheet with id=AQ6, first strand: chain 'K' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN K 648 " --> pdb=" O PRO K 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE K 644 " --> pdb=" O PHE K 273 " (cutoff:3.500A) Processing sheet with id=AQ7, first strand: chain 'K' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA K 418 " --> pdb=" O ASN K 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=AQ7 Processing sheet with id=AQ8, first strand: chain 'K' and resid 436 through 440 removed outlier: 5.226A pdb=" N LEU K 438 " --> pdb=" O GLY K 457 " (cutoff:3.500A) removed outlier: 6.233A pdb=" N GLY K 457 " --> pdb=" O LEU K 438 " (cutoff:3.500A) Processing sheet with id=AQ9, first strand: chain 'K' and resid 476 through 477 Processing sheet with id=AR1, first strand: chain 'K' and resid 482 through 483 Processing sheet with id=AR2, first strand: chain 'K' and resid 512 through 515 removed outlier: 4.127A pdb=" N GLY 8 575 " --> pdb=" O VAL 8 593 " (cutoff:3.500A) Processing sheet with id=AR3, first strand: chain 'K' and resid 538 through 539 Processing sheet with id=AR4, first strand: chain 'K' and resid 548 through 549 removed outlier: 6.233A pdb=" N GLY 8 457 " --> pdb=" O LEU 8 438 " (cutoff:3.500A) removed outlier: 5.227A pdb=" N LEU 8 438 " --> pdb=" O GLY 8 457 " (cutoff:3.500A) Processing sheet with id=AR5, first strand: chain 'K' and resid 590 through 593 removed outlier: 4.127A pdb=" N GLY K 575 " --> pdb=" O VAL K 593 " (cutoff:3.500A) Processing sheet with id=AR6, first strand: chain 'K' and resid 602 through 604 removed outlier: 3.705A pdb=" N MET K 602 " --> pdb=" O PHE a 626 " (cutoff:3.500A) Processing sheet with id=AR7, first strand: chain 'K' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA K 617 " --> pdb=" O LEU K 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=AR7 Processing sheet with id=AR8, first strand: chain 'K' and resid 624 through 626 removed outlier: 3.702A pdb=" N MET 8 602 " --> pdb=" O PHE K 626 " (cutoff:3.500A) Processing sheet with id=AR9, first strand: chain 'L' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE L 361 " --> pdb=" O THR L 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR L 240 " --> pdb=" O PHE L 361 " (cutoff:3.500A) Processing sheet with id=AS1, first strand: chain 'L' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR L 671 " --> pdb=" O GLN L 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN L 310 " --> pdb=" O TYR L 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR L 673 " --> pdb=" O ASN L 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN L 308 " --> pdb=" O THR L 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN L 675 " --> pdb=" O ILE L 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE L 306 " --> pdb=" O GLN L 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA L 677 " --> pdb=" O VAL L 304 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL L 304 " --> pdb=" O ALA L 677 " (cutoff:3.500A) removed outlier: 6.542A pdb=" N GLN L 679 " --> pdb=" O MET L 302 " (cutoff:3.500A) removed outlier: 4.230A pdb=" N MET L 302 " --> pdb=" O GLN L 679 " (cutoff:3.500A) removed outlier: 6.487A pdb=" N GLU L 681 " --> pdb=" O LYS L 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY L 296 " --> pdb=" O GLU L 685 " (cutoff:3.500A) Processing sheet with id=AS2, first strand: chain 'L' and resid 402 through 407 Processing sheet with id=AS3, first strand: chain 'L' and resid 252 through 256 removed outlier: 4.565A pdb=" N TYR L 366 " --> pdb=" O THR L 268 " (cutoff:3.500A) Processing sheet with id=AS4, first strand: chain 'L' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN L 648 " --> pdb=" O PRO L 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE L 644 " --> pdb=" O PHE L 273 " (cutoff:3.500A) Processing sheet with id=AS5, first strand: chain 'L' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA L 418 " --> pdb=" O ASN L 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=AS5 Processing sheet with id=AS6, first strand: chain 'L' and resid 476 through 477 Processing sheet with id=AS7, first strand: chain 'L' and resid 482 through 483 Processing sheet with id=AS8, first strand: chain 'L' and resid 538 through 539 Processing sheet with id=AS9, first strand: chain 'L' and resid 616 through 618 removed outlier: 6.255A pdb=" N ALA L 617 " --> pdb=" O LEU L 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=AS9 Processing sheet with id=AT1, first strand: chain 'M' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE M 361 " --> pdb=" O THR M 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR M 240 " --> pdb=" O PHE M 361 " (cutoff:3.500A) Processing sheet with id=AT2, first strand: chain 'M' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR M 671 " --> pdb=" O GLN M 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN M 310 " --> pdb=" O TYR M 671 " (cutoff:3.500A) removed outlier: 6.053A pdb=" N THR M 673 " --> pdb=" O ASN M 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN M 308 " --> pdb=" O THR M 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN M 675 " --> pdb=" O ILE M 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE M 306 " --> pdb=" O GLN M 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA M 677 " --> pdb=" O VAL M 304 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL M 304 " --> pdb=" O ALA M 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN M 679 " --> pdb=" O MET M 302 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N MET M 302 " --> pdb=" O GLN M 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU M 681 " --> pdb=" O LYS M 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY M 296 " --> pdb=" O GLU M 685 " (cutoff:3.500A) Processing sheet with id=AT3, first strand: chain 'M' and resid 402 through 407 Processing sheet with id=AT4, first strand: chain 'M' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR M 366 " --> pdb=" O THR M 268 " (cutoff:3.500A) Processing sheet with id=AT5, first strand: chain 'M' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN M 648 " --> pdb=" O PRO M 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE M 644 " --> pdb=" O PHE M 273 " (cutoff:3.500A) Processing sheet with id=AT6, first strand: chain 'M' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA M 418 " --> pdb=" O ASN M 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=AT6 Processing sheet with id=AT7, first strand: chain 'M' and resid 476 through 477 Processing sheet with id=AT8, first strand: chain 'M' and resid 482 through 483 Processing sheet with id=AT9, first strand: chain 'M' and resid 512 through 515 removed outlier: 4.127A pdb=" N GLY b 575 " --> pdb=" O VAL b 593 " (cutoff:3.500A) Processing sheet with id=AU1, first strand: chain 'M' and resid 538 through 539 Processing sheet with id=AU2, first strand: chain 'M' and resid 548 through 549 removed outlier: 6.234A pdb=" N GLY b 457 " --> pdb=" O LEU b 438 " (cutoff:3.500A) removed outlier: 5.227A pdb=" N LEU b 438 " --> pdb=" O GLY b 457 " (cutoff:3.500A) Processing sheet with id=AU3, first strand: chain 'M' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA M 617 " --> pdb=" O LEU M 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=AU3 Processing sheet with id=AU4, first strand: chain 'M' and resid 624 through 626 removed outlier: 3.700A pdb=" N MET b 602 " --> pdb=" O PHE M 626 " (cutoff:3.500A) Processing sheet with id=AU5, first strand: chain 'N' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE N 361 " --> pdb=" O THR N 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR N 240 " --> pdb=" O PHE N 361 " (cutoff:3.500A) Processing sheet with id=AU6, first strand: chain 'N' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR N 671 " --> pdb=" O GLN N 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN N 310 " --> pdb=" O TYR N 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR N 673 " --> pdb=" O ASN N 308 " (cutoff:3.500A) removed outlier: 6.497A pdb=" N ASN N 308 " --> pdb=" O THR N 673 " (cutoff:3.500A) removed outlier: 6.905A pdb=" N GLN N 675 " --> pdb=" O ILE N 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE N 306 " --> pdb=" O GLN N 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA N 677 " --> pdb=" O VAL N 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL N 304 " --> pdb=" O ALA N 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN N 679 " --> pdb=" O MET N 302 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N MET N 302 " --> pdb=" O GLN N 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU N 681 " --> pdb=" O LYS N 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY N 296 " --> pdb=" O GLU N 685 " (cutoff:3.500A) Processing sheet with id=AU7, first strand: chain 'N' and resid 402 through 407 Processing sheet with id=AU8, first strand: chain 'N' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR N 366 " --> pdb=" O THR N 268 " (cutoff:3.500A) Processing sheet with id=AU9, first strand: chain 'N' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN N 648 " --> pdb=" O PRO N 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE N 644 " --> pdb=" O PHE N 273 " (cutoff:3.500A) Processing sheet with id=AV1, first strand: chain 'N' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA N 418 " --> pdb=" O ASN N 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=AV1 Processing sheet with id=AV2, first strand: chain 'N' and resid 436 through 440 removed outlier: 5.227A pdb=" N LEU N 438 " --> pdb=" O GLY N 457 " (cutoff:3.500A) removed outlier: 6.234A pdb=" N GLY N 457 " --> pdb=" O LEU N 438 " (cutoff:3.500A) Processing sheet with id=AV3, first strand: chain 'N' and resid 476 through 477 Processing sheet with id=AV4, first strand: chain 'N' and resid 482 through 483 Processing sheet with id=AV5, first strand: chain 'N' and resid 538 through 539 Processing sheet with id=AV6, first strand: chain 'N' and resid 590 through 593 removed outlier: 4.128A pdb=" N GLY N 575 " --> pdb=" O VAL N 593 " (cutoff:3.500A) Processing sheet with id=AV7, first strand: chain 'N' and resid 602 through 604 removed outlier: 3.719A pdb=" N MET N 602 " --> pdb=" O PHE P 626 " (cutoff:3.500A) Processing sheet with id=AV8, first strand: chain 'N' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA N 617 " --> pdb=" O LEU N 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=AV8 Processing sheet with id=AV9, first strand: chain 'O' and resid 226 through 228 removed outlier: 9.042A pdb=" N PHE O 361 " --> pdb=" O THR O 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR O 240 " --> pdb=" O PHE O 361 " (cutoff:3.500A) Processing sheet with id=AW1, first strand: chain 'O' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR O 671 " --> pdb=" O GLN O 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN O 310 " --> pdb=" O TYR O 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR O 673 " --> pdb=" O ASN O 308 " (cutoff:3.500A) removed outlier: 6.499A pdb=" N ASN O 308 " --> pdb=" O THR O 673 " (cutoff:3.500A) removed outlier: 6.907A pdb=" N GLN O 675 " --> pdb=" O ILE O 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE O 306 " --> pdb=" O GLN O 675 " (cutoff:3.500A) removed outlier: 6.619A pdb=" N ALA O 677 " --> pdb=" O VAL O 304 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL O 304 " --> pdb=" O ALA O 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN O 679 " --> pdb=" O MET O 302 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N MET O 302 " --> pdb=" O GLN O 679 " (cutoff:3.500A) removed outlier: 6.487A pdb=" N GLU O 681 " --> pdb=" O LYS O 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY O 296 " --> pdb=" O GLU O 685 " (cutoff:3.500A) Processing sheet with id=AW2, first strand: chain 'O' and resid 402 through 407 Processing sheet with id=AW3, first strand: chain 'O' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR O 366 " --> pdb=" O THR O 268 " (cutoff:3.500A) Processing sheet with id=AW4, first strand: chain 'O' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN O 648 " --> pdb=" O PRO O 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE O 644 " --> pdb=" O PHE O 273 " (cutoff:3.500A) Processing sheet with id=AW5, first strand: chain 'O' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA O 418 " --> pdb=" O ASN O 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=AW5 Processing sheet with id=AW6, first strand: chain 'O' and resid 436 through 440 removed outlier: 5.227A pdb=" N LEU O 438 " --> pdb=" O GLY O 457 " (cutoff:3.500A) removed outlier: 6.233A pdb=" N GLY O 457 " --> pdb=" O LEU O 438 " (cutoff:3.500A) Processing sheet with id=AW7, first strand: chain 'O' and resid 476 through 477 Processing sheet with id=AW8, first strand: chain 'O' and resid 482 through 483 Processing sheet with id=AW9, first strand: chain 'O' and resid 512 through 515 removed outlier: 4.127A pdb=" N GLY n 575 " --> pdb=" O VAL n 593 " (cutoff:3.500A) Processing sheet with id=AX1, first strand: chain 'O' and resid 538 through 539 Processing sheet with id=AX2, first strand: chain 'O' and resid 548 through 549 removed outlier: 6.234A pdb=" N GLY n 457 " --> pdb=" O LEU n 438 " (cutoff:3.500A) removed outlier: 5.226A pdb=" N LEU n 438 " --> pdb=" O GLY n 457 " (cutoff:3.500A) Processing sheet with id=AX3, first strand: chain 'O' and resid 590 through 593 removed outlier: 4.127A pdb=" N GLY O 575 " --> pdb=" O VAL O 593 " (cutoff:3.500A) Processing sheet with id=AX4, first strand: chain 'O' and resid 602 through 604 removed outlier: 3.702A pdb=" N MET O 602 " --> pdb=" O PHE m 626 " (cutoff:3.500A) Processing sheet with id=AX5, first strand: chain 'O' and resid 616 through 618 removed outlier: 6.255A pdb=" N ALA O 617 " --> pdb=" O LEU O 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=AX5 Processing sheet with id=AX6, first strand: chain 'O' and resid 624 through 626 removed outlier: 3.699A pdb=" N MET n 602 " --> pdb=" O PHE O 626 " (cutoff:3.500A) Processing sheet with id=AX7, first strand: chain 'P' and resid 226 through 228 removed outlier: 9.042A pdb=" N PHE P 361 " --> pdb=" O THR P 238 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N THR P 240 " --> pdb=" O PHE P 361 " (cutoff:3.500A) Processing sheet with id=AX8, first strand: chain 'P' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR P 671 " --> pdb=" O GLN P 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN P 310 " --> pdb=" O TYR P 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR P 673 " --> pdb=" O ASN P 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN P 308 " --> pdb=" O THR P 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN P 675 " --> pdb=" O ILE P 306 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N ILE P 306 " --> pdb=" O GLN P 675 " (cutoff:3.500A) removed outlier: 6.619A pdb=" N ALA P 677 " --> pdb=" O VAL P 304 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL P 304 " --> pdb=" O ALA P 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN P 679 " --> pdb=" O MET P 302 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N MET P 302 " --> pdb=" O GLN P 679 " (cutoff:3.500A) removed outlier: 6.487A pdb=" N GLU P 681 " --> pdb=" O LYS P 300 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N GLY P 296 " --> pdb=" O GLU P 685 " (cutoff:3.500A) Processing sheet with id=AX9, first strand: chain 'P' and resid 402 through 407 Processing sheet with id=AY1, first strand: chain 'P' and resid 252 through 256 removed outlier: 4.565A pdb=" N TYR P 366 " --> pdb=" O THR P 268 " (cutoff:3.500A) Processing sheet with id=AY2, first strand: chain 'P' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN P 648 " --> pdb=" O PRO P 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE P 644 " --> pdb=" O PHE P 273 " (cutoff:3.500A) Processing sheet with id=AY3, first strand: chain 'P' and resid 418 through 419 removed outlier: 5.859A pdb=" N ALA P 418 " --> pdb=" O ASN P 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=AY3 Processing sheet with id=AY4, first strand: chain 'P' and resid 476 through 477 Processing sheet with id=AY5, first strand: chain 'P' and resid 482 through 483 Processing sheet with id=AY6, first strand: chain 'P' and resid 538 through 539 Processing sheet with id=AY7, first strand: chain 'P' and resid 616 through 618 removed outlier: 6.257A pdb=" N ALA P 617 " --> pdb=" O LEU P 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=AY7 Processing sheet with id=AY8, first strand: chain 'Q' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE Q 361 " --> pdb=" O THR Q 238 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N THR Q 240 " --> pdb=" O PHE Q 361 " (cutoff:3.500A) Processing sheet with id=AY9, first strand: chain 'Q' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR Q 671 " --> pdb=" O GLN Q 310 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN Q 310 " --> pdb=" O TYR Q 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR Q 673 " --> pdb=" O ASN Q 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN Q 308 " --> pdb=" O THR Q 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN Q 675 " --> pdb=" O ILE Q 306 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N ILE Q 306 " --> pdb=" O GLN Q 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA Q 677 " --> pdb=" O VAL Q 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL Q 304 " --> pdb=" O ALA Q 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN Q 679 " --> pdb=" O MET Q 302 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N MET Q 302 " --> pdb=" O GLN Q 679 " (cutoff:3.500A) removed outlier: 6.487A pdb=" N GLU Q 681 " --> pdb=" O LYS Q 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY Q 296 " --> pdb=" O GLU Q 685 " (cutoff:3.500A) Processing sheet with id=AZ1, first strand: chain 'Q' and resid 402 through 407 Processing sheet with id=AZ2, first strand: chain 'Q' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR Q 366 " --> pdb=" O THR Q 268 " (cutoff:3.500A) Processing sheet with id=AZ3, first strand: chain 'Q' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN Q 648 " --> pdb=" O PRO Q 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE Q 644 " --> pdb=" O PHE Q 273 " (cutoff:3.500A) Processing sheet with id=AZ4, first strand: chain 'Q' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA Q 418 " --> pdb=" O ASN Q 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=AZ4 Processing sheet with id=AZ5, first strand: chain 'Q' and resid 476 through 477 Processing sheet with id=AZ6, first strand: chain 'Q' and resid 482 through 483 Processing sheet with id=AZ7, first strand: chain 'Q' and resid 538 through 539 Processing sheet with id=AZ8, first strand: chain 'Q' and resid 616 through 618 removed outlier: 6.257A pdb=" N ALA Q 617 " --> pdb=" O LEU Q 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=AZ8 Processing sheet with id=AZ9, first strand: chain 'R' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE R 361 " --> pdb=" O THR R 238 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N THR R 240 " --> pdb=" O PHE R 361 " (cutoff:3.500A) Processing sheet with id=BA1, first strand: chain 'R' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR R 671 " --> pdb=" O GLN R 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN R 310 " --> pdb=" O TYR R 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR R 673 " --> pdb=" O ASN R 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN R 308 " --> pdb=" O THR R 673 " (cutoff:3.500A) removed outlier: 6.905A pdb=" N GLN R 675 " --> pdb=" O ILE R 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE R 306 " --> pdb=" O GLN R 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA R 677 " --> pdb=" O VAL R 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL R 304 " --> pdb=" O ALA R 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN R 679 " --> pdb=" O MET R 302 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N MET R 302 " --> pdb=" O GLN R 679 " (cutoff:3.500A) removed outlier: 6.487A pdb=" N GLU R 681 " --> pdb=" O LYS R 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY R 296 " --> pdb=" O GLU R 685 " (cutoff:3.500A) Processing sheet with id=BA2, first strand: chain 'R' and resid 402 through 407 Processing sheet with id=BA3, first strand: chain 'R' and resid 252 through 256 removed outlier: 4.565A pdb=" N TYR R 366 " --> pdb=" O THR R 268 " (cutoff:3.500A) Processing sheet with id=BA4, first strand: chain 'R' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN R 648 " --> pdb=" O PRO R 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE R 644 " --> pdb=" O PHE R 273 " (cutoff:3.500A) Processing sheet with id=BA5, first strand: chain 'R' and resid 418 through 419 removed outlier: 5.859A pdb=" N ALA R 418 " --> pdb=" O ASN R 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=BA5 Processing sheet with id=BA6, first strand: chain 'R' and resid 436 through 440 removed outlier: 5.227A pdb=" N LEU R 438 " --> pdb=" O GLY R 457 " (cutoff:3.500A) removed outlier: 6.235A pdb=" N GLY R 457 " --> pdb=" O LEU R 438 " (cutoff:3.500A) Processing sheet with id=BA7, first strand: chain 'R' and resid 476 through 477 Processing sheet with id=BA8, first strand: chain 'R' and resid 482 through 483 Processing sheet with id=BA9, first strand: chain 'R' and resid 512 through 515 removed outlier: 4.128A pdb=" N GLY U 575 " --> pdb=" O VAL U 593 " (cutoff:3.500A) Processing sheet with id=BB1, first strand: chain 'R' and resid 538 through 539 Processing sheet with id=BB2, first strand: chain 'R' and resid 548 through 549 removed outlier: 6.234A pdb=" N GLY U 457 " --> pdb=" O LEU U 438 " (cutoff:3.500A) removed outlier: 5.226A pdb=" N LEU U 438 " --> pdb=" O GLY U 457 " (cutoff:3.500A) Processing sheet with id=BB3, first strand: chain 'R' and resid 590 through 593 removed outlier: 4.128A pdb=" N GLY R 575 " --> pdb=" O VAL R 593 " (cutoff:3.500A) Processing sheet with id=BB4, first strand: chain 'R' and resid 602 through 604 removed outlier: 3.701A pdb=" N MET R 602 " --> pdb=" O PHE S 626 " (cutoff:3.500A) Processing sheet with id=BB5, first strand: chain 'R' and resid 616 through 618 removed outlier: 6.255A pdb=" N ALA R 617 " --> pdb=" O LEU R 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=BB5 Processing sheet with id=BB6, first strand: chain 'R' and resid 624 through 626 removed outlier: 3.702A pdb=" N MET U 602 " --> pdb=" O PHE R 626 " (cutoff:3.500A) Processing sheet with id=BB7, first strand: chain 'S' and resid 226 through 228 removed outlier: 9.042A pdb=" N PHE S 361 " --> pdb=" O THR S 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR S 240 " --> pdb=" O PHE S 361 " (cutoff:3.500A) Processing sheet with id=BB8, first strand: chain 'S' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR S 671 " --> pdb=" O GLN S 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN S 310 " --> pdb=" O TYR S 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR S 673 " --> pdb=" O ASN S 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN S 308 " --> pdb=" O THR S 673 " (cutoff:3.500A) removed outlier: 6.907A pdb=" N GLN S 675 " --> pdb=" O ILE S 306 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N ILE S 306 " --> pdb=" O GLN S 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA S 677 " --> pdb=" O VAL S 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL S 304 " --> pdb=" O ALA S 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN S 679 " --> pdb=" O MET S 302 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N MET S 302 " --> pdb=" O GLN S 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU S 681 " --> pdb=" O LYS S 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY S 296 " --> pdb=" O GLU S 685 " (cutoff:3.500A) Processing sheet with id=BB9, first strand: chain 'S' and resid 402 through 407 Processing sheet with id=BC1, first strand: chain 'S' and resid 252 through 256 removed outlier: 4.565A pdb=" N TYR S 366 " --> pdb=" O THR S 268 " (cutoff:3.500A) Processing sheet with id=BC2, first strand: chain 'S' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN S 648 " --> pdb=" O PRO S 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE S 644 " --> pdb=" O PHE S 273 " (cutoff:3.500A) Processing sheet with id=BC3, first strand: chain 'S' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA S 418 " --> pdb=" O ASN S 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=BC3 Processing sheet with id=BC4, first strand: chain 'S' and resid 436 through 440 removed outlier: 5.227A pdb=" N LEU S 438 " --> pdb=" O GLY S 457 " (cutoff:3.500A) removed outlier: 6.234A pdb=" N GLY S 457 " --> pdb=" O LEU S 438 " (cutoff:3.500A) Processing sheet with id=BC5, first strand: chain 'S' and resid 476 through 477 Processing sheet with id=BC6, first strand: chain 'S' and resid 482 through 483 Processing sheet with id=BC7, first strand: chain 'S' and resid 538 through 539 Processing sheet with id=BC8, first strand: chain 'S' and resid 590 through 593 removed outlier: 4.127A pdb=" N GLY S 575 " --> pdb=" O VAL S 593 " (cutoff:3.500A) Processing sheet with id=BC9, first strand: chain 'S' and resid 602 through 604 removed outlier: 3.702A pdb=" N MET S 602 " --> pdb=" O PHE U 626 " (cutoff:3.500A) Processing sheet with id=BD1, first strand: chain 'S' and resid 616 through 618 removed outlier: 6.255A pdb=" N ALA S 617 " --> pdb=" O LEU S 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=BD1 Processing sheet with id=BD2, first strand: chain 'T' and resid 226 through 228 removed outlier: 9.042A pdb=" N PHE T 361 " --> pdb=" O THR T 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR T 240 " --> pdb=" O PHE T 361 " (cutoff:3.500A) Processing sheet with id=BD3, first strand: chain 'T' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR T 671 " --> pdb=" O GLN T 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN T 310 " --> pdb=" O TYR T 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR T 673 " --> pdb=" O ASN T 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN T 308 " --> pdb=" O THR T 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN T 675 " --> pdb=" O ILE T 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE T 306 " --> pdb=" O GLN T 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA T 677 " --> pdb=" O VAL T 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL T 304 " --> pdb=" O ALA T 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN T 679 " --> pdb=" O MET T 302 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N MET T 302 " --> pdb=" O GLN T 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU T 681 " --> pdb=" O LYS T 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY T 296 " --> pdb=" O GLU T 685 " (cutoff:3.500A) Processing sheet with id=BD4, first strand: chain 'T' and resid 402 through 407 Processing sheet with id=BD5, first strand: chain 'T' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR T 366 " --> pdb=" O THR T 268 " (cutoff:3.500A) Processing sheet with id=BD6, first strand: chain 'T' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN T 648 " --> pdb=" O PRO T 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE T 644 " --> pdb=" O PHE T 273 " (cutoff:3.500A) Processing sheet with id=BD7, first strand: chain 'T' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA T 418 " --> pdb=" O ASN T 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=BD7 Processing sheet with id=BD8, first strand: chain 'T' and resid 436 through 440 removed outlier: 5.226A pdb=" N LEU T 438 " --> pdb=" O GLY T 457 " (cutoff:3.500A) removed outlier: 6.233A pdb=" N GLY T 457 " --> pdb=" O LEU T 438 " (cutoff:3.500A) Processing sheet with id=BD9, first strand: chain 'T' and resid 476 through 477 Processing sheet with id=BE1, first strand: chain 'T' and resid 482 through 483 Processing sheet with id=BE2, first strand: chain 'T' and resid 512 through 515 removed outlier: 4.128A pdb=" N GLY l 575 " --> pdb=" O VAL l 593 " (cutoff:3.500A) Processing sheet with id=BE3, first strand: chain 'T' and resid 538 through 539 Processing sheet with id=BE4, first strand: chain 'T' and resid 548 through 549 removed outlier: 6.234A pdb=" N GLY l 457 " --> pdb=" O LEU l 438 " (cutoff:3.500A) removed outlier: 5.227A pdb=" N LEU l 438 " --> pdb=" O GLY l 457 " (cutoff:3.500A) Processing sheet with id=BE5, first strand: chain 'T' and resid 590 through 593 removed outlier: 4.127A pdb=" N GLY T 575 " --> pdb=" O VAL T 593 " (cutoff:3.500A) Processing sheet with id=BE6, first strand: chain 'T' and resid 602 through 604 removed outlier: 3.705A pdb=" N MET T 602 " --> pdb=" O PHE d 626 " (cutoff:3.500A) Processing sheet with id=BE7, first strand: chain 'T' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA T 617 " --> pdb=" O LEU T 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=BE7 Processing sheet with id=BE8, first strand: chain 'T' and resid 624 through 626 removed outlier: 3.702A pdb=" N MET l 602 " --> pdb=" O PHE T 626 " (cutoff:3.500A) Processing sheet with id=BE9, first strand: chain 'U' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE U 361 " --> pdb=" O THR U 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR U 240 " --> pdb=" O PHE U 361 " (cutoff:3.500A) Processing sheet with id=BF1, first strand: chain 'U' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR U 671 " --> pdb=" O GLN U 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN U 310 " --> pdb=" O TYR U 671 " (cutoff:3.500A) removed outlier: 6.053A pdb=" N THR U 673 " --> pdb=" O ASN U 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN U 308 " --> pdb=" O THR U 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN U 675 " --> pdb=" O ILE U 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE U 306 " --> pdb=" O GLN U 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA U 677 " --> pdb=" O VAL U 304 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL U 304 " --> pdb=" O ALA U 677 " (cutoff:3.500A) removed outlier: 6.542A pdb=" N GLN U 679 " --> pdb=" O MET U 302 " (cutoff:3.500A) removed outlier: 4.230A pdb=" N MET U 302 " --> pdb=" O GLN U 679 " (cutoff:3.500A) removed outlier: 6.487A pdb=" N GLU U 681 " --> pdb=" O LYS U 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY U 296 " --> pdb=" O GLU U 685 " (cutoff:3.500A) Processing sheet with id=BF2, first strand: chain 'U' and resid 402 through 407 Processing sheet with id=BF3, first strand: chain 'U' and resid 252 through 256 removed outlier: 4.565A pdb=" N TYR U 366 " --> pdb=" O THR U 268 " (cutoff:3.500A) Processing sheet with id=BF4, first strand: chain 'U' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN U 648 " --> pdb=" O PRO U 269 " (cutoff:3.500A) removed outlier: 4.612A pdb=" N ILE U 644 " --> pdb=" O PHE U 273 " (cutoff:3.500A) Processing sheet with id=BF5, first strand: chain 'U' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA U 418 " --> pdb=" O ASN U 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=BF5 Processing sheet with id=BF6, first strand: chain 'U' and resid 476 through 477 Processing sheet with id=BF7, first strand: chain 'U' and resid 482 through 483 Processing sheet with id=BF8, first strand: chain 'U' and resid 538 through 539 Processing sheet with id=BF9, first strand: chain 'U' and resid 616 through 618 removed outlier: 6.255A pdb=" N ALA U 617 " --> pdb=" O LEU U 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=BF9 Processing sheet with id=BG1, first strand: chain 'V' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE V 361 " --> pdb=" O THR V 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR V 240 " --> pdb=" O PHE V 361 " (cutoff:3.500A) Processing sheet with id=BG2, first strand: chain 'V' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR V 671 " --> pdb=" O GLN V 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN V 310 " --> pdb=" O TYR V 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR V 673 " --> pdb=" O ASN V 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN V 308 " --> pdb=" O THR V 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN V 675 " --> pdb=" O ILE V 306 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N ILE V 306 " --> pdb=" O GLN V 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA V 677 " --> pdb=" O VAL V 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL V 304 " --> pdb=" O ALA V 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN V 679 " --> pdb=" O MET V 302 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N MET V 302 " --> pdb=" O GLN V 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU V 681 " --> pdb=" O LYS V 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY V 296 " --> pdb=" O GLU V 685 " (cutoff:3.500A) Processing sheet with id=BG3, first strand: chain 'V' and resid 402 through 407 Processing sheet with id=BG4, first strand: chain 'V' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR V 366 " --> pdb=" O THR V 268 " (cutoff:3.500A) Processing sheet with id=BG5, first strand: chain 'V' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN V 648 " --> pdb=" O PRO V 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE V 644 " --> pdb=" O PHE V 273 " (cutoff:3.500A) Processing sheet with id=BG6, first strand: chain 'V' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA V 418 " --> pdb=" O ASN V 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=BG6 Processing sheet with id=BG7, first strand: chain 'V' and resid 436 through 440 removed outlier: 5.227A pdb=" N LEU V 438 " --> pdb=" O GLY V 457 " (cutoff:3.500A) removed outlier: 6.234A pdb=" N GLY V 457 " --> pdb=" O LEU V 438 " (cutoff:3.500A) Processing sheet with id=BG8, first strand: chain 'V' and resid 476 through 477 Processing sheet with id=BG9, first strand: chain 'V' and resid 482 through 483 Processing sheet with id=BH1, first strand: chain 'V' and resid 512 through 515 removed outlier: 4.128A pdb=" N GLY X 575 " --> pdb=" O VAL X 593 " (cutoff:3.500A) Processing sheet with id=BH2, first strand: chain 'V' and resid 538 through 539 Processing sheet with id=BH3, first strand: chain 'V' and resid 548 through 549 removed outlier: 6.234A pdb=" N GLY X 457 " --> pdb=" O LEU X 438 " (cutoff:3.500A) removed outlier: 5.227A pdb=" N LEU X 438 " --> pdb=" O GLY X 457 " (cutoff:3.500A) Processing sheet with id=BH4, first strand: chain 'V' and resid 590 through 593 removed outlier: 4.127A pdb=" N GLY V 575 " --> pdb=" O VAL V 593 " (cutoff:3.500A) Processing sheet with id=BH5, first strand: chain 'V' and resid 602 through 604 removed outlier: 3.703A pdb=" N MET V 602 " --> pdb=" O PHE e 626 " (cutoff:3.500A) Processing sheet with id=BH6, first strand: chain 'V' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA V 617 " --> pdb=" O LEU V 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=BH6 Processing sheet with id=BH7, first strand: chain 'V' and resid 624 through 626 removed outlier: 3.703A pdb=" N MET X 602 " --> pdb=" O PHE V 626 " (cutoff:3.500A) Processing sheet with id=BH8, first strand: chain 'W' and resid 226 through 228 removed outlier: 9.042A pdb=" N PHE W 361 " --> pdb=" O THR W 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR W 240 " --> pdb=" O PHE W 361 " (cutoff:3.500A) Processing sheet with id=BH9, first strand: chain 'W' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR W 671 " --> pdb=" O GLN W 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN W 310 " --> pdb=" O TYR W 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR W 673 " --> pdb=" O ASN W 308 " (cutoff:3.500A) removed outlier: 6.499A pdb=" N ASN W 308 " --> pdb=" O THR W 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN W 675 " --> pdb=" O ILE W 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE W 306 " --> pdb=" O GLN W 675 " (cutoff:3.500A) removed outlier: 6.619A pdb=" N ALA W 677 " --> pdb=" O VAL W 304 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL W 304 " --> pdb=" O ALA W 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN W 679 " --> pdb=" O MET W 302 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N MET W 302 " --> pdb=" O GLN W 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU W 681 " --> pdb=" O LYS W 300 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N GLY W 296 " --> pdb=" O GLU W 685 " (cutoff:3.500A) Processing sheet with id=BI1, first strand: chain 'W' and resid 402 through 407 Processing sheet with id=BI2, first strand: chain 'W' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR W 366 " --> pdb=" O THR W 268 " (cutoff:3.500A) Processing sheet with id=BI3, first strand: chain 'W' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN W 648 " --> pdb=" O PRO W 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE W 644 " --> pdb=" O PHE W 273 " (cutoff:3.500A) Processing sheet with id=BI4, first strand: chain 'W' and resid 418 through 419 removed outlier: 5.861A pdb=" N ALA W 418 " --> pdb=" O ASN W 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=BI4 Processing sheet with id=BI5, first strand: chain 'W' and resid 436 through 440 removed outlier: 5.227A pdb=" N LEU W 438 " --> pdb=" O GLY W 457 " (cutoff:3.500A) removed outlier: 6.235A pdb=" N GLY W 457 " --> pdb=" O LEU W 438 " (cutoff:3.500A) Processing sheet with id=BI6, first strand: chain 'W' and resid 476 through 477 Processing sheet with id=BI7, first strand: chain 'W' and resid 482 through 483 Processing sheet with id=BI8, first strand: chain 'W' and resid 538 through 539 Processing sheet with id=BI9, first strand: chain 'W' and resid 590 through 593 removed outlier: 4.128A pdb=" N GLY W 575 " --> pdb=" O VAL W 593 " (cutoff:3.500A) Processing sheet with id=BJ1, first strand: chain 'W' and resid 602 through 604 removed outlier: 3.690A pdb=" N MET W 602 " --> pdb=" O PHE Y 626 " (cutoff:3.500A) Processing sheet with id=BJ2, first strand: chain 'W' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA W 617 " --> pdb=" O LEU W 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=BJ2 Processing sheet with id=BJ3, first strand: chain 'X' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE X 361 " --> pdb=" O THR X 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR X 240 " --> pdb=" O PHE X 361 " (cutoff:3.500A) Processing sheet with id=BJ4, first strand: chain 'X' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR X 671 " --> pdb=" O GLN X 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN X 310 " --> pdb=" O TYR X 671 " (cutoff:3.500A) removed outlier: 6.053A pdb=" N THR X 673 " --> pdb=" O ASN X 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN X 308 " --> pdb=" O THR X 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN X 675 " --> pdb=" O ILE X 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE X 306 " --> pdb=" O GLN X 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA X 677 " --> pdb=" O VAL X 304 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL X 304 " --> pdb=" O ALA X 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN X 679 " --> pdb=" O MET X 302 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N MET X 302 " --> pdb=" O GLN X 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU X 681 " --> pdb=" O LYS X 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY X 296 " --> pdb=" O GLU X 685 " (cutoff:3.500A) Processing sheet with id=BJ5, first strand: chain 'X' and resid 402 through 407 Processing sheet with id=BJ6, first strand: chain 'X' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR X 366 " --> pdb=" O THR X 268 " (cutoff:3.500A) Processing sheet with id=BJ7, first strand: chain 'X' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN X 648 " --> pdb=" O PRO X 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE X 644 " --> pdb=" O PHE X 273 " (cutoff:3.500A) Processing sheet with id=BJ8, first strand: chain 'X' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA X 418 " --> pdb=" O ASN X 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=BJ8 Processing sheet with id=BJ9, first strand: chain 'X' and resid 476 through 477 Processing sheet with id=BK1, first strand: chain 'X' and resid 482 through 483 Processing sheet with id=BK2, first strand: chain 'X' and resid 512 through 515 removed outlier: 4.127A pdb=" N GLY e 575 " --> pdb=" O VAL e 593 " (cutoff:3.500A) Processing sheet with id=BK3, first strand: chain 'X' and resid 538 through 539 Processing sheet with id=BK4, first strand: chain 'X' and resid 548 through 549 removed outlier: 6.234A pdb=" N GLY e 457 " --> pdb=" O LEU e 438 " (cutoff:3.500A) removed outlier: 5.227A pdb=" N LEU e 438 " --> pdb=" O GLY e 457 " (cutoff:3.500A) Processing sheet with id=BK5, first strand: chain 'X' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA X 617 " --> pdb=" O LEU X 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=BK5 Processing sheet with id=BK6, first strand: chain 'X' and resid 624 through 626 removed outlier: 3.700A pdb=" N MET e 602 " --> pdb=" O PHE X 626 " (cutoff:3.500A) Processing sheet with id=BK7, first strand: chain 'Y' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE Y 361 " --> pdb=" O THR Y 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR Y 240 " --> pdb=" O PHE Y 361 " (cutoff:3.500A) Processing sheet with id=BK8, first strand: chain 'Y' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR Y 671 " --> pdb=" O GLN Y 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN Y 310 " --> pdb=" O TYR Y 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR Y 673 " --> pdb=" O ASN Y 308 " (cutoff:3.500A) removed outlier: 6.497A pdb=" N ASN Y 308 " --> pdb=" O THR Y 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN Y 675 " --> pdb=" O ILE Y 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE Y 306 " --> pdb=" O GLN Y 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA Y 677 " --> pdb=" O VAL Y 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL Y 304 " --> pdb=" O ALA Y 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN Y 679 " --> pdb=" O MET Y 302 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N MET Y 302 " --> pdb=" O GLN Y 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU Y 681 " --> pdb=" O LYS Y 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY Y 296 " --> pdb=" O GLU Y 685 " (cutoff:3.500A) Processing sheet with id=BK9, first strand: chain 'Y' and resid 402 through 407 Processing sheet with id=BL1, first strand: chain 'Y' and resid 252 through 256 removed outlier: 4.565A pdb=" N TYR Y 366 " --> pdb=" O THR Y 268 " (cutoff:3.500A) Processing sheet with id=BL2, first strand: chain 'Y' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN Y 648 " --> pdb=" O PRO Y 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE Y 644 " --> pdb=" O PHE Y 273 " (cutoff:3.500A) Processing sheet with id=BL3, first strand: chain 'Y' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA Y 418 " --> pdb=" O ASN Y 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=BL3 Processing sheet with id=BL4, first strand: chain 'Y' and resid 476 through 477 Processing sheet with id=BL5, first strand: chain 'Y' and resid 482 through 483 Processing sheet with id=BL6, first strand: chain 'Y' and resid 538 through 539 Processing sheet with id=BL7, first strand: chain 'Y' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA Y 617 " --> pdb=" O LEU Y 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=BL7 Processing sheet with id=BL8, first strand: chain 'Z' and resid 226 through 228 removed outlier: 9.042A pdb=" N PHE Z 361 " --> pdb=" O THR Z 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR Z 240 " --> pdb=" O PHE Z 361 " (cutoff:3.500A) Processing sheet with id=BL9, first strand: chain 'Z' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR Z 671 " --> pdb=" O GLN Z 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN Z 310 " --> pdb=" O TYR Z 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR Z 673 " --> pdb=" O ASN Z 308 " (cutoff:3.500A) removed outlier: 6.499A pdb=" N ASN Z 308 " --> pdb=" O THR Z 673 " (cutoff:3.500A) removed outlier: 6.907A pdb=" N GLN Z 675 " --> pdb=" O ILE Z 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE Z 306 " --> pdb=" O GLN Z 675 " (cutoff:3.500A) removed outlier: 6.619A pdb=" N ALA Z 677 " --> pdb=" O VAL Z 304 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL Z 304 " --> pdb=" O ALA Z 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN Z 679 " --> pdb=" O MET Z 302 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N MET Z 302 " --> pdb=" O GLN Z 679 " (cutoff:3.500A) removed outlier: 6.487A pdb=" N GLU Z 681 " --> pdb=" O LYS Z 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY Z 296 " --> pdb=" O GLU Z 685 " (cutoff:3.500A) Processing sheet with id=BM1, first strand: chain 'Z' and resid 402 through 407 Processing sheet with id=BM2, first strand: chain 'Z' and resid 252 through 256 removed outlier: 4.565A pdb=" N TYR Z 366 " --> pdb=" O THR Z 268 " (cutoff:3.500A) Processing sheet with id=BM3, first strand: chain 'Z' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN Z 648 " --> pdb=" O PRO Z 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE Z 644 " --> pdb=" O PHE Z 273 " (cutoff:3.500A) Processing sheet with id=BM4, first strand: chain 'Z' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA Z 418 " --> pdb=" O ASN Z 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=BM4 Processing sheet with id=BM5, first strand: chain 'Z' and resid 436 through 440 removed outlier: 5.227A pdb=" N LEU Z 438 " --> pdb=" O GLY Z 457 " (cutoff:3.500A) removed outlier: 6.234A pdb=" N GLY Z 457 " --> pdb=" O LEU Z 438 " (cutoff:3.500A) Processing sheet with id=BM6, first strand: chain 'Z' and resid 476 through 477 Processing sheet with id=BM7, first strand: chain 'Z' and resid 482 through 483 Processing sheet with id=BM8, first strand: chain 'Z' and resid 512 through 515 removed outlier: 4.127A pdb=" N GLY 3 575 " --> pdb=" O VAL 3 593 " (cutoff:3.500A) Processing sheet with id=BM9, first strand: chain 'Z' and resid 538 through 539 Processing sheet with id=BN1, first strand: chain 'Z' and resid 548 through 549 removed outlier: 6.233A pdb=" N GLY 3 457 " --> pdb=" O LEU 3 438 " (cutoff:3.500A) removed outlier: 5.227A pdb=" N LEU 3 438 " --> pdb=" O GLY 3 457 " (cutoff:3.500A) Processing sheet with id=BN2, first strand: chain 'Z' and resid 590 through 593 removed outlier: 4.127A pdb=" N GLY Z 575 " --> pdb=" O VAL Z 593 " (cutoff:3.500A) Processing sheet with id=BN3, first strand: chain 'Z' and resid 602 through 604 removed outlier: 3.702A pdb=" N MET Z 602 " --> pdb=" O PHE 4 626 " (cutoff:3.500A) Processing sheet with id=BN4, first strand: chain 'Z' and resid 616 through 618 removed outlier: 6.255A pdb=" N ALA Z 617 " --> pdb=" O LEU Z 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=BN4 Processing sheet with id=BN5, first strand: chain 'Z' and resid 624 through 626 removed outlier: 3.699A pdb=" N MET 3 602 " --> pdb=" O PHE Z 626 " (cutoff:3.500A) Processing sheet with id=BN6, first strand: chain 'a' and resid 226 through 228 removed outlier: 9.042A pdb=" N PHE a 361 " --> pdb=" O THR a 238 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N THR a 240 " --> pdb=" O PHE a 361 " (cutoff:3.500A) Processing sheet with id=BN7, first strand: chain 'a' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR a 671 " --> pdb=" O GLN a 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN a 310 " --> pdb=" O TYR a 671 " (cutoff:3.500A) removed outlier: 6.053A pdb=" N THR a 673 " --> pdb=" O ASN a 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN a 308 " --> pdb=" O THR a 673 " (cutoff:3.500A) removed outlier: 6.907A pdb=" N GLN a 675 " --> pdb=" O ILE a 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE a 306 " --> pdb=" O GLN a 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA a 677 " --> pdb=" O VAL a 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL a 304 " --> pdb=" O ALA a 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN a 679 " --> pdb=" O MET a 302 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N MET a 302 " --> pdb=" O GLN a 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU a 681 " --> pdb=" O LYS a 300 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N GLY a 296 " --> pdb=" O GLU a 685 " (cutoff:3.500A) Processing sheet with id=BN8, first strand: chain 'a' and resid 402 through 407 Processing sheet with id=BN9, first strand: chain 'a' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR a 366 " --> pdb=" O THR a 268 " (cutoff:3.500A) Processing sheet with id=BO1, first strand: chain 'a' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN a 648 " --> pdb=" O PRO a 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE a 644 " --> pdb=" O PHE a 273 " (cutoff:3.500A) Processing sheet with id=BO2, first strand: chain 'a' and resid 418 through 419 removed outlier: 5.859A pdb=" N ALA a 418 " --> pdb=" O ASN a 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=BO2 Processing sheet with id=BO3, first strand: chain 'a' and resid 436 through 440 removed outlier: 5.227A pdb=" N LEU a 438 " --> pdb=" O GLY a 457 " (cutoff:3.500A) removed outlier: 6.233A pdb=" N GLY a 457 " --> pdb=" O LEU a 438 " (cutoff:3.500A) Processing sheet with id=BO4, first strand: chain 'a' and resid 476 through 477 Processing sheet with id=BO5, first strand: chain 'a' and resid 482 through 483 Processing sheet with id=BO6, first strand: chain 'a' and resid 538 through 539 Processing sheet with id=BO7, first strand: chain 'a' and resid 590 through 593 removed outlier: 4.127A pdb=" N GLY a 575 " --> pdb=" O VAL a 593 " (cutoff:3.500A) Processing sheet with id=BO8, first strand: chain 'a' and resid 602 through 604 removed outlier: 3.698A pdb=" N MET a 602 " --> pdb=" O PHE 8 626 " (cutoff:3.500A) Processing sheet with id=BO9, first strand: chain 'a' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA a 617 " --> pdb=" O LEU a 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=BO9 Processing sheet with id=BP1, first strand: chain 'b' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE b 361 " --> pdb=" O THR b 238 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N THR b 240 " --> pdb=" O PHE b 361 " (cutoff:3.500A) Processing sheet with id=BP2, first strand: chain 'b' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR b 671 " --> pdb=" O GLN b 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN b 310 " --> pdb=" O TYR b 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR b 673 " --> pdb=" O ASN b 308 " (cutoff:3.500A) removed outlier: 6.499A pdb=" N ASN b 308 " --> pdb=" O THR b 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN b 675 " --> pdb=" O ILE b 306 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N ILE b 306 " --> pdb=" O GLN b 675 " (cutoff:3.500A) removed outlier: 6.619A pdb=" N ALA b 677 " --> pdb=" O VAL b 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL b 304 " --> pdb=" O ALA b 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN b 679 " --> pdb=" O MET b 302 " (cutoff:3.500A) removed outlier: 4.230A pdb=" N MET b 302 " --> pdb=" O GLN b 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU b 681 " --> pdb=" O LYS b 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY b 296 " --> pdb=" O GLU b 685 " (cutoff:3.500A) Processing sheet with id=BP3, first strand: chain 'b' and resid 402 through 407 Processing sheet with id=BP4, first strand: chain 'b' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR b 366 " --> pdb=" O THR b 268 " (cutoff:3.500A) Processing sheet with id=BP5, first strand: chain 'b' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN b 648 " --> pdb=" O PRO b 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE b 644 " --> pdb=" O PHE b 273 " (cutoff:3.500A) Processing sheet with id=BP6, first strand: chain 'b' and resid 418 through 419 removed outlier: 5.859A pdb=" N ALA b 418 " --> pdb=" O ASN b 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=BP6 Processing sheet with id=BP7, first strand: chain 'b' and resid 476 through 477 Processing sheet with id=BP8, first strand: chain 'b' and resid 482 through 483 Processing sheet with id=BP9, first strand: chain 'b' and resid 538 through 539 Processing sheet with id=BQ1, first strand: chain 'b' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA b 617 " --> pdb=" O LEU b 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=BQ1 Processing sheet with id=BQ2, first strand: chain 'c' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE c 361 " --> pdb=" O THR c 238 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N THR c 240 " --> pdb=" O PHE c 361 " (cutoff:3.500A) Processing sheet with id=BQ3, first strand: chain 'c' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR c 671 " --> pdb=" O GLN c 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN c 310 " --> pdb=" O TYR c 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR c 673 " --> pdb=" O ASN c 308 " (cutoff:3.500A) removed outlier: 6.499A pdb=" N ASN c 308 " --> pdb=" O THR c 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN c 675 " --> pdb=" O ILE c 306 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N ILE c 306 " --> pdb=" O GLN c 675 " (cutoff:3.500A) removed outlier: 6.619A pdb=" N ALA c 677 " --> pdb=" O VAL c 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL c 304 " --> pdb=" O ALA c 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN c 679 " --> pdb=" O MET c 302 " (cutoff:3.500A) removed outlier: 4.230A pdb=" N MET c 302 " --> pdb=" O GLN c 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU c 681 " --> pdb=" O LYS c 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY c 296 " --> pdb=" O GLU c 685 " (cutoff:3.500A) Processing sheet with id=BQ4, first strand: chain 'c' and resid 402 through 407 Processing sheet with id=BQ5, first strand: chain 'c' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR c 366 " --> pdb=" O THR c 268 " (cutoff:3.500A) Processing sheet with id=BQ6, first strand: chain 'c' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN c 648 " --> pdb=" O PRO c 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE c 644 " --> pdb=" O PHE c 273 " (cutoff:3.500A) Processing sheet with id=BQ7, first strand: chain 'c' and resid 418 through 419 removed outlier: 5.859A pdb=" N ALA c 418 " --> pdb=" O ASN c 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=BQ7 Processing sheet with id=BQ8, first strand: chain 'c' and resid 436 through 440 removed outlier: 5.227A pdb=" N LEU c 438 " --> pdb=" O GLY c 457 " (cutoff:3.500A) removed outlier: 6.234A pdb=" N GLY c 457 " --> pdb=" O LEU c 438 " (cutoff:3.500A) Processing sheet with id=BQ9, first strand: chain 'c' and resid 476 through 477 Processing sheet with id=BR1, first strand: chain 'c' and resid 482 through 483 Processing sheet with id=BR2, first strand: chain 'c' and resid 512 through 515 removed outlier: 4.127A pdb=" N GLY p 575 " --> pdb=" O VAL p 593 " (cutoff:3.500A) Processing sheet with id=BR3, first strand: chain 'c' and resid 538 through 539 Processing sheet with id=BR4, first strand: chain 'c' and resid 548 through 549 removed outlier: 6.234A pdb=" N GLY p 457 " --> pdb=" O LEU p 438 " (cutoff:3.500A) removed outlier: 5.227A pdb=" N LEU p 438 " --> pdb=" O GLY p 457 " (cutoff:3.500A) Processing sheet with id=BR5, first strand: chain 'c' and resid 590 through 593 removed outlier: 4.127A pdb=" N GLY c 575 " --> pdb=" O VAL c 593 " (cutoff:3.500A) Processing sheet with id=BR6, first strand: chain 'c' and resid 602 through 604 removed outlier: 3.700A pdb=" N MET c 602 " --> pdb=" O PHE o 626 " (cutoff:3.500A) Processing sheet with id=BR7, first strand: chain 'c' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA c 617 " --> pdb=" O LEU c 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=BR7 Processing sheet with id=BR8, first strand: chain 'c' and resid 624 through 626 removed outlier: 3.703A pdb=" N MET p 602 " --> pdb=" O PHE c 626 " (cutoff:3.500A) Processing sheet with id=BR9, first strand: chain 'd' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE d 361 " --> pdb=" O THR d 238 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N THR d 240 " --> pdb=" O PHE d 361 " (cutoff:3.500A) Processing sheet with id=BS1, first strand: chain 'd' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR d 671 " --> pdb=" O GLN d 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN d 310 " --> pdb=" O TYR d 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR d 673 " --> pdb=" O ASN d 308 " (cutoff:3.500A) removed outlier: 6.499A pdb=" N ASN d 308 " --> pdb=" O THR d 673 " (cutoff:3.500A) removed outlier: 6.907A pdb=" N GLN d 675 " --> pdb=" O ILE d 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE d 306 " --> pdb=" O GLN d 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA d 677 " --> pdb=" O VAL d 304 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL d 304 " --> pdb=" O ALA d 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN d 679 " --> pdb=" O MET d 302 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N MET d 302 " --> pdb=" O GLN d 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU d 681 " --> pdb=" O LYS d 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY d 296 " --> pdb=" O GLU d 685 " (cutoff:3.500A) Processing sheet with id=BS2, first strand: chain 'd' and resid 402 through 407 Processing sheet with id=BS3, first strand: chain 'd' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR d 366 " --> pdb=" O THR d 268 " (cutoff:3.500A) Processing sheet with id=BS4, first strand: chain 'd' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN d 648 " --> pdb=" O PRO d 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE d 644 " --> pdb=" O PHE d 273 " (cutoff:3.500A) Processing sheet with id=BS5, first strand: chain 'd' and resid 418 through 419 removed outlier: 5.859A pdb=" N ALA d 418 " --> pdb=" O ASN d 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=BS5 Processing sheet with id=BS6, first strand: chain 'd' and resid 436 through 440 removed outlier: 5.226A pdb=" N LEU d 438 " --> pdb=" O GLY d 457 " (cutoff:3.500A) removed outlier: 6.234A pdb=" N GLY d 457 " --> pdb=" O LEU d 438 " (cutoff:3.500A) Processing sheet with id=BS7, first strand: chain 'd' and resid 476 through 477 Processing sheet with id=BS8, first strand: chain 'd' and resid 482 through 483 Processing sheet with id=BS9, first strand: chain 'd' and resid 538 through 539 Processing sheet with id=BT1, first strand: chain 'd' and resid 590 through 593 removed outlier: 4.128A pdb=" N GLY d 575 " --> pdb=" O VAL d 593 " (cutoff:3.500A) Processing sheet with id=BT2, first strand: chain 'd' and resid 602 through 604 removed outlier: 3.699A pdb=" N MET d 602 " --> pdb=" O PHE l 626 " (cutoff:3.500A) Processing sheet with id=BT3, first strand: chain 'd' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA d 617 " --> pdb=" O LEU d 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=BT3 Processing sheet with id=BT4, first strand: chain 'e' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE e 361 " --> pdb=" O THR e 238 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N THR e 240 " --> pdb=" O PHE e 361 " (cutoff:3.500A) Processing sheet with id=BT5, first strand: chain 'e' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR e 671 " --> pdb=" O GLN e 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN e 310 " --> pdb=" O TYR e 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR e 673 " --> pdb=" O ASN e 308 " (cutoff:3.500A) removed outlier: 6.499A pdb=" N ASN e 308 " --> pdb=" O THR e 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN e 675 " --> pdb=" O ILE e 306 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N ILE e 306 " --> pdb=" O GLN e 675 " (cutoff:3.500A) removed outlier: 6.619A pdb=" N ALA e 677 " --> pdb=" O VAL e 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL e 304 " --> pdb=" O ALA e 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN e 679 " --> pdb=" O MET e 302 " (cutoff:3.500A) removed outlier: 4.230A pdb=" N MET e 302 " --> pdb=" O GLN e 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU e 681 " --> pdb=" O LYS e 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY e 296 " --> pdb=" O GLU e 685 " (cutoff:3.500A) Processing sheet with id=BT6, first strand: chain 'e' and resid 402 through 407 Processing sheet with id=BT7, first strand: chain 'e' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR e 366 " --> pdb=" O THR e 268 " (cutoff:3.500A) Processing sheet with id=BT8, first strand: chain 'e' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN e 648 " --> pdb=" O PRO e 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE e 644 " --> pdb=" O PHE e 273 " (cutoff:3.500A) Processing sheet with id=BT9, first strand: chain 'e' and resid 418 through 419 removed outlier: 5.859A pdb=" N ALA e 418 " --> pdb=" O ASN e 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=BT9 Processing sheet with id=BU1, first strand: chain 'e' and resid 476 through 477 Processing sheet with id=BU2, first strand: chain 'e' and resid 482 through 483 Processing sheet with id=BU3, first strand: chain 'e' and resid 538 through 539 Processing sheet with id=BU4, first strand: chain 'e' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA e 617 " --> pdb=" O LEU e 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=BU4 Processing sheet with id=BU5, first strand: chain 'f' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE f 361 " --> pdb=" O THR f 238 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N THR f 240 " --> pdb=" O PHE f 361 " (cutoff:3.500A) Processing sheet with id=BU6, first strand: chain 'f' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR f 671 " --> pdb=" O GLN f 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN f 310 " --> pdb=" O TYR f 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR f 673 " --> pdb=" O ASN f 308 " (cutoff:3.500A) removed outlier: 6.499A pdb=" N ASN f 308 " --> pdb=" O THR f 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN f 675 " --> pdb=" O ILE f 306 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N ILE f 306 " --> pdb=" O GLN f 675 " (cutoff:3.500A) removed outlier: 6.619A pdb=" N ALA f 677 " --> pdb=" O VAL f 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL f 304 " --> pdb=" O ALA f 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN f 679 " --> pdb=" O MET f 302 " (cutoff:3.500A) removed outlier: 4.230A pdb=" N MET f 302 " --> pdb=" O GLN f 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU f 681 " --> pdb=" O LYS f 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY f 296 " --> pdb=" O GLU f 685 " (cutoff:3.500A) Processing sheet with id=BU7, first strand: chain 'f' and resid 402 through 407 Processing sheet with id=BU8, first strand: chain 'f' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR f 366 " --> pdb=" O THR f 268 " (cutoff:3.500A) Processing sheet with id=BU9, first strand: chain 'f' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN f 648 " --> pdb=" O PRO f 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE f 644 " --> pdb=" O PHE f 273 " (cutoff:3.500A) Processing sheet with id=BV1, first strand: chain 'f' and resid 418 through 419 removed outlier: 5.859A pdb=" N ALA f 418 " --> pdb=" O ASN f 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=BV1 Processing sheet with id=BV2, first strand: chain 'f' and resid 436 through 440 removed outlier: 5.227A pdb=" N LEU f 438 " --> pdb=" O GLY f 457 " (cutoff:3.500A) removed outlier: 6.234A pdb=" N GLY f 457 " --> pdb=" O LEU f 438 " (cutoff:3.500A) Processing sheet with id=BV3, first strand: chain 'f' and resid 476 through 477 Processing sheet with id=BV4, first strand: chain 'f' and resid 482 through 483 Processing sheet with id=BV5, first strand: chain 'f' and resid 512 through 515 removed outlier: 4.127A pdb=" N GLY g 575 " --> pdb=" O VAL g 593 " (cutoff:3.500A) Processing sheet with id=BV6, first strand: chain 'f' and resid 538 through 539 Processing sheet with id=BV7, first strand: chain 'f' and resid 548 through 549 removed outlier: 6.233A pdb=" N GLY g 457 " --> pdb=" O LEU g 438 " (cutoff:3.500A) removed outlier: 5.227A pdb=" N LEU g 438 " --> pdb=" O GLY g 457 " (cutoff:3.500A) Processing sheet with id=BV8, first strand: chain 'f' and resid 590 through 593 removed outlier: 4.127A pdb=" N GLY f 575 " --> pdb=" O VAL f 593 " (cutoff:3.500A) Processing sheet with id=BV9, first strand: chain 'f' and resid 602 through 604 removed outlier: 3.700A pdb=" N MET f 602 " --> pdb=" O PHE h 626 " (cutoff:3.500A) Processing sheet with id=BW1, first strand: chain 'f' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA f 617 " --> pdb=" O LEU f 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=BW1 Processing sheet with id=BW2, first strand: chain 'f' and resid 624 through 626 removed outlier: 3.703A pdb=" N MET g 602 " --> pdb=" O PHE f 626 " (cutoff:3.500A) Processing sheet with id=BW3, first strand: chain 'g' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE g 361 " --> pdb=" O THR g 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR g 240 " --> pdb=" O PHE g 361 " (cutoff:3.500A) Processing sheet with id=BW4, first strand: chain 'g' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR g 671 " --> pdb=" O GLN g 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN g 310 " --> pdb=" O TYR g 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR g 673 " --> pdb=" O ASN g 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN g 308 " --> pdb=" O THR g 673 " (cutoff:3.500A) removed outlier: 6.907A pdb=" N GLN g 675 " --> pdb=" O ILE g 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE g 306 " --> pdb=" O GLN g 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA g 677 " --> pdb=" O VAL g 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL g 304 " --> pdb=" O ALA g 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN g 679 " --> pdb=" O MET g 302 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N MET g 302 " --> pdb=" O GLN g 679 " (cutoff:3.500A) removed outlier: 6.487A pdb=" N GLU g 681 " --> pdb=" O LYS g 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY g 296 " --> pdb=" O GLU g 685 " (cutoff:3.500A) Processing sheet with id=BW5, first strand: chain 'g' and resid 402 through 407 Processing sheet with id=BW6, first strand: chain 'g' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR g 366 " --> pdb=" O THR g 268 " (cutoff:3.500A) Processing sheet with id=BW7, first strand: chain 'g' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN g 648 " --> pdb=" O PRO g 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE g 644 " --> pdb=" O PHE g 273 " (cutoff:3.500A) Processing sheet with id=BW8, first strand: chain 'g' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA g 418 " --> pdb=" O ASN g 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=BW8 Processing sheet with id=BW9, first strand: chain 'g' and resid 476 through 477 Processing sheet with id=BX1, first strand: chain 'g' and resid 482 through 483 Processing sheet with id=BX2, first strand: chain 'g' and resid 512 through 515 removed outlier: 4.128A pdb=" N GLY h 575 " --> pdb=" O VAL h 593 " (cutoff:3.500A) Processing sheet with id=BX3, first strand: chain 'g' and resid 538 through 539 Processing sheet with id=BX4, first strand: chain 'g' and resid 548 through 549 removed outlier: 6.234A pdb=" N GLY h 457 " --> pdb=" O LEU h 438 " (cutoff:3.500A) removed outlier: 5.227A pdb=" N LEU h 438 " --> pdb=" O GLY h 457 " (cutoff:3.500A) Processing sheet with id=BX5, first strand: chain 'g' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA g 617 " --> pdb=" O LEU g 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=BX5 Processing sheet with id=BX6, first strand: chain 'g' and resid 624 through 626 removed outlier: 3.703A pdb=" N MET h 602 " --> pdb=" O PHE g 626 " (cutoff:3.500A) Processing sheet with id=BX7, first strand: chain 'h' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE h 361 " --> pdb=" O THR h 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR h 240 " --> pdb=" O PHE h 361 " (cutoff:3.500A) Processing sheet with id=BX8, first strand: chain 'h' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR h 671 " --> pdb=" O GLN h 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN h 310 " --> pdb=" O TYR h 671 " (cutoff:3.500A) removed outlier: 6.053A pdb=" N THR h 673 " --> pdb=" O ASN h 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN h 308 " --> pdb=" O THR h 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN h 675 " --> pdb=" O ILE h 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE h 306 " --> pdb=" O GLN h 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA h 677 " --> pdb=" O VAL h 304 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL h 304 " --> pdb=" O ALA h 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN h 679 " --> pdb=" O MET h 302 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N MET h 302 " --> pdb=" O GLN h 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU h 681 " --> pdb=" O LYS h 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY h 296 " --> pdb=" O GLU h 685 " (cutoff:3.500A) Processing sheet with id=BX9, first strand: chain 'h' and resid 402 through 407 Processing sheet with id=BY1, first strand: chain 'h' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR h 366 " --> pdb=" O THR h 268 " (cutoff:3.500A) Processing sheet with id=BY2, first strand: chain 'h' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN h 648 " --> pdb=" O PRO h 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE h 644 " --> pdb=" O PHE h 273 " (cutoff:3.500A) Processing sheet with id=BY3, first strand: chain 'h' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA h 418 " --> pdb=" O ASN h 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=BY3 Processing sheet with id=BY4, first strand: chain 'h' and resid 476 through 477 Processing sheet with id=BY5, first strand: chain 'h' and resid 482 through 483 Processing sheet with id=BY6, first strand: chain 'h' and resid 538 through 539 Processing sheet with id=BY7, first strand: chain 'h' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA h 617 " --> pdb=" O LEU h 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=BY7 Processing sheet with id=BY8, first strand: chain 'i' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE i 361 " --> pdb=" O THR i 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR i 240 " --> pdb=" O PHE i 361 " (cutoff:3.500A) Processing sheet with id=BY9, first strand: chain 'i' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR i 671 " --> pdb=" O GLN i 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN i 310 " --> pdb=" O TYR i 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR i 673 " --> pdb=" O ASN i 308 " (cutoff:3.500A) removed outlier: 6.499A pdb=" N ASN i 308 " --> pdb=" O THR i 673 " (cutoff:3.500A) removed outlier: 6.907A pdb=" N GLN i 675 " --> pdb=" O ILE i 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE i 306 " --> pdb=" O GLN i 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA i 677 " --> pdb=" O VAL i 304 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL i 304 " --> pdb=" O ALA i 677 " (cutoff:3.500A) removed outlier: 6.542A pdb=" N GLN i 679 " --> pdb=" O MET i 302 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N MET i 302 " --> pdb=" O GLN i 679 " (cutoff:3.500A) removed outlier: 6.487A pdb=" N GLU i 681 " --> pdb=" O LYS i 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY i 296 " --> pdb=" O GLU i 685 " (cutoff:3.500A) Processing sheet with id=BZ1, first strand: chain 'i' and resid 402 through 407 Processing sheet with id=BZ2, first strand: chain 'i' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR i 366 " --> pdb=" O THR i 268 " (cutoff:3.500A) Processing sheet with id=BZ3, first strand: chain 'i' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN i 648 " --> pdb=" O PRO i 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE i 644 " --> pdb=" O PHE i 273 " (cutoff:3.500A) Processing sheet with id=BZ4, first strand: chain 'i' and resid 418 through 419 removed outlier: 5.859A pdb=" N ALA i 418 " --> pdb=" O ASN i 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=BZ4 Processing sheet with id=BZ5, first strand: chain 'i' and resid 436 through 440 removed outlier: 5.227A pdb=" N LEU i 438 " --> pdb=" O GLY i 457 " (cutoff:3.500A) removed outlier: 6.234A pdb=" N GLY i 457 " --> pdb=" O LEU i 438 " (cutoff:3.500A) Processing sheet with id=BZ6, first strand: chain 'i' and resid 476 through 477 Processing sheet with id=BZ7, first strand: chain 'i' and resid 482 through 483 Processing sheet with id=BZ8, first strand: chain 'i' and resid 512 through 515 removed outlier: 4.128A pdb=" N GLY k 575 " --> pdb=" O VAL k 593 " (cutoff:3.500A) Processing sheet with id=BZ9, first strand: chain 'i' and resid 538 through 539 Processing sheet with id=CA1, first strand: chain 'i' and resid 548 through 549 removed outlier: 6.234A pdb=" N GLY k 457 " --> pdb=" O LEU k 438 " (cutoff:3.500A) removed outlier: 5.227A pdb=" N LEU k 438 " --> pdb=" O GLY k 457 " (cutoff:3.500A) Processing sheet with id=CA2, first strand: chain 'i' and resid 590 through 593 removed outlier: 4.128A pdb=" N GLY i 575 " --> pdb=" O VAL i 593 " (cutoff:3.500A) Processing sheet with id=CA3, first strand: chain 'i' and resid 602 through 604 removed outlier: 3.711A pdb=" N MET i 602 " --> pdb=" O PHE j 626 " (cutoff:3.500A) Processing sheet with id=CA4, first strand: chain 'i' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA i 617 " --> pdb=" O LEU i 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=CA4 Processing sheet with id=CA5, first strand: chain 'i' and resid 624 through 626 removed outlier: 3.692A pdb=" N MET k 602 " --> pdb=" O PHE i 626 " (cutoff:3.500A) Processing sheet with id=CA6, first strand: chain 'j' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE j 361 " --> pdb=" O THR j 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR j 240 " --> pdb=" O PHE j 361 " (cutoff:3.500A) Processing sheet with id=CA7, first strand: chain 'j' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR j 671 " --> pdb=" O GLN j 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN j 310 " --> pdb=" O TYR j 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR j 673 " --> pdb=" O ASN j 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN j 308 " --> pdb=" O THR j 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN j 675 " --> pdb=" O ILE j 306 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N ILE j 306 " --> pdb=" O GLN j 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA j 677 " --> pdb=" O VAL j 304 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL j 304 " --> pdb=" O ALA j 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN j 679 " --> pdb=" O MET j 302 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N MET j 302 " --> pdb=" O GLN j 679 " (cutoff:3.500A) removed outlier: 6.487A pdb=" N GLU j 681 " --> pdb=" O LYS j 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY j 296 " --> pdb=" O GLU j 685 " (cutoff:3.500A) Processing sheet with id=CA8, first strand: chain 'j' and resid 402 through 407 Processing sheet with id=CA9, first strand: chain 'j' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR j 366 " --> pdb=" O THR j 268 " (cutoff:3.500A) Processing sheet with id=CB1, first strand: chain 'j' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN j 648 " --> pdb=" O PRO j 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE j 644 " --> pdb=" O PHE j 273 " (cutoff:3.500A) Processing sheet with id=CB2, first strand: chain 'j' and resid 418 through 419 removed outlier: 5.859A pdb=" N ALA j 418 " --> pdb=" O ASN j 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=CB2 Processing sheet with id=CB3, first strand: chain 'j' and resid 436 through 440 removed outlier: 5.226A pdb=" N LEU j 438 " --> pdb=" O GLY j 457 " (cutoff:3.500A) removed outlier: 6.234A pdb=" N GLY j 457 " --> pdb=" O LEU j 438 " (cutoff:3.500A) Processing sheet with id=CB4, first strand: chain 'j' and resid 476 through 477 Processing sheet with id=CB5, first strand: chain 'j' and resid 482 through 483 Processing sheet with id=CB6, first strand: chain 'j' and resid 538 through 539 Processing sheet with id=CB7, first strand: chain 'j' and resid 590 through 593 removed outlier: 4.128A pdb=" N GLY j 575 " --> pdb=" O VAL j 593 " (cutoff:3.500A) Processing sheet with id=CB8, first strand: chain 'j' and resid 602 through 604 removed outlier: 3.712A pdb=" N MET j 602 " --> pdb=" O PHE k 626 " (cutoff:3.500A) Processing sheet with id=CB9, first strand: chain 'j' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA j 617 " --> pdb=" O LEU j 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=CB9 Processing sheet with id=CC1, first strand: chain 'k' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE k 361 " --> pdb=" O THR k 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR k 240 " --> pdb=" O PHE k 361 " (cutoff:3.500A) Processing sheet with id=CC2, first strand: chain 'k' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR k 671 " --> pdb=" O GLN k 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN k 310 " --> pdb=" O TYR k 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR k 673 " --> pdb=" O ASN k 308 " (cutoff:3.500A) removed outlier: 6.499A pdb=" N ASN k 308 " --> pdb=" O THR k 673 " (cutoff:3.500A) removed outlier: 6.907A pdb=" N GLN k 675 " --> pdb=" O ILE k 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE k 306 " --> pdb=" O GLN k 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA k 677 " --> pdb=" O VAL k 304 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL k 304 " --> pdb=" O ALA k 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN k 679 " --> pdb=" O MET k 302 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N MET k 302 " --> pdb=" O GLN k 679 " (cutoff:3.500A) removed outlier: 6.487A pdb=" N GLU k 681 " --> pdb=" O LYS k 300 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N GLY k 296 " --> pdb=" O GLU k 685 " (cutoff:3.500A) Processing sheet with id=CC3, first strand: chain 'k' and resid 402 through 407 Processing sheet with id=CC4, first strand: chain 'k' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR k 366 " --> pdb=" O THR k 268 " (cutoff:3.500A) Processing sheet with id=CC5, first strand: chain 'k' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN k 648 " --> pdb=" O PRO k 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE k 644 " --> pdb=" O PHE k 273 " (cutoff:3.500A) Processing sheet with id=CC6, first strand: chain 'k' and resid 418 through 419 removed outlier: 5.859A pdb=" N ALA k 418 " --> pdb=" O ASN k 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=CC6 Processing sheet with id=CC7, first strand: chain 'k' and resid 476 through 477 Processing sheet with id=CC8, first strand: chain 'k' and resid 482 through 483 Processing sheet with id=CC9, first strand: chain 'k' and resid 538 through 539 Processing sheet with id=CD1, first strand: chain 'k' and resid 616 through 618 removed outlier: 6.255A pdb=" N ALA k 617 " --> pdb=" O LEU k 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=CD1 Processing sheet with id=CD2, first strand: chain 'l' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE l 361 " --> pdb=" O THR l 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR l 240 " --> pdb=" O PHE l 361 " (cutoff:3.500A) Processing sheet with id=CD3, first strand: chain 'l' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR l 671 " --> pdb=" O GLN l 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN l 310 " --> pdb=" O TYR l 671 " (cutoff:3.500A) removed outlier: 6.053A pdb=" N THR l 673 " --> pdb=" O ASN l 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN l 308 " --> pdb=" O THR l 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN l 675 " --> pdb=" O ILE l 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE l 306 " --> pdb=" O GLN l 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA l 677 " --> pdb=" O VAL l 304 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL l 304 " --> pdb=" O ALA l 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN l 679 " --> pdb=" O MET l 302 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N MET l 302 " --> pdb=" O GLN l 679 " (cutoff:3.500A) removed outlier: 6.487A pdb=" N GLU l 681 " --> pdb=" O LYS l 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY l 296 " --> pdb=" O GLU l 685 " (cutoff:3.500A) Processing sheet with id=CD4, first strand: chain 'l' and resid 402 through 407 Processing sheet with id=CD5, first strand: chain 'l' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR l 366 " --> pdb=" O THR l 268 " (cutoff:3.500A) Processing sheet with id=CD6, first strand: chain 'l' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN l 648 " --> pdb=" O PRO l 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE l 644 " --> pdb=" O PHE l 273 " (cutoff:3.500A) Processing sheet with id=CD7, first strand: chain 'l' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA l 418 " --> pdb=" O ASN l 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=CD7 Processing sheet with id=CD8, first strand: chain 'l' and resid 476 through 477 Processing sheet with id=CD9, first strand: chain 'l' and resid 482 through 483 Processing sheet with id=CE1, first strand: chain 'l' and resid 538 through 539 Processing sheet with id=CE2, first strand: chain 'l' and resid 616 through 618 removed outlier: 6.255A pdb=" N ALA l 617 " --> pdb=" O LEU l 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=CE2 Processing sheet with id=CE3, first strand: chain 'm' and resid 226 through 228 removed outlier: 9.042A pdb=" N PHE m 361 " --> pdb=" O THR m 238 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N THR m 240 " --> pdb=" O PHE m 361 " (cutoff:3.500A) Processing sheet with id=CE4, first strand: chain 'm' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR m 671 " --> pdb=" O GLN m 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN m 310 " --> pdb=" O TYR m 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR m 673 " --> pdb=" O ASN m 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN m 308 " --> pdb=" O THR m 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN m 675 " --> pdb=" O ILE m 306 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N ILE m 306 " --> pdb=" O GLN m 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA m 677 " --> pdb=" O VAL m 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL m 304 " --> pdb=" O ALA m 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN m 679 " --> pdb=" O MET m 302 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N MET m 302 " --> pdb=" O GLN m 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU m 681 " --> pdb=" O LYS m 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY m 296 " --> pdb=" O GLU m 685 " (cutoff:3.500A) Processing sheet with id=CE5, first strand: chain 'm' and resid 402 through 407 Processing sheet with id=CE6, first strand: chain 'm' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR m 366 " --> pdb=" O THR m 268 " (cutoff:3.500A) Processing sheet with id=CE7, first strand: chain 'm' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN m 648 " --> pdb=" O PRO m 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE m 644 " --> pdb=" O PHE m 273 " (cutoff:3.500A) Processing sheet with id=CE8, first strand: chain 'm' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA m 418 " --> pdb=" O ASN m 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=CE8 Processing sheet with id=CE9, first strand: chain 'm' and resid 436 through 440 removed outlier: 5.226A pdb=" N LEU m 438 " --> pdb=" O GLY m 457 " (cutoff:3.500A) removed outlier: 6.233A pdb=" N GLY m 457 " --> pdb=" O LEU m 438 " (cutoff:3.500A) Processing sheet with id=CF1, first strand: chain 'm' and resid 476 through 477 Processing sheet with id=CF2, first strand: chain 'm' and resid 482 through 483 Processing sheet with id=CF3, first strand: chain 'm' and resid 538 through 539 Processing sheet with id=CF4, first strand: chain 'm' and resid 590 through 593 removed outlier: 4.127A pdb=" N GLY m 575 " --> pdb=" O VAL m 593 " (cutoff:3.500A) Processing sheet with id=CF5, first strand: chain 'm' and resid 602 through 604 removed outlier: 3.705A pdb=" N MET m 602 " --> pdb=" O PHE n 626 " (cutoff:3.500A) Processing sheet with id=CF6, first strand: chain 'm' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA m 617 " --> pdb=" O LEU m 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=CF6 Processing sheet with id=CF7, first strand: chain 'n' and resid 226 through 228 removed outlier: 9.042A pdb=" N PHE n 361 " --> pdb=" O THR n 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR n 240 " --> pdb=" O PHE n 361 " (cutoff:3.500A) Processing sheet with id=CF8, first strand: chain 'n' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR n 671 " --> pdb=" O GLN n 310 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN n 310 " --> pdb=" O TYR n 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR n 673 " --> pdb=" O ASN n 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN n 308 " --> pdb=" O THR n 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN n 675 " --> pdb=" O ILE n 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE n 306 " --> pdb=" O GLN n 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA n 677 " --> pdb=" O VAL n 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL n 304 " --> pdb=" O ALA n 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN n 679 " --> pdb=" O MET n 302 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N MET n 302 " --> pdb=" O GLN n 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU n 681 " --> pdb=" O LYS n 300 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N GLY n 296 " --> pdb=" O GLU n 685 " (cutoff:3.500A) Processing sheet with id=CF9, first strand: chain 'n' and resid 402 through 407 Processing sheet with id=CG1, first strand: chain 'n' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR n 366 " --> pdb=" O THR n 268 " (cutoff:3.500A) Processing sheet with id=CG2, first strand: chain 'n' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN n 648 " --> pdb=" O PRO n 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE n 644 " --> pdb=" O PHE n 273 " (cutoff:3.500A) Processing sheet with id=CG3, first strand: chain 'n' and resid 418 through 419 removed outlier: 5.859A pdb=" N ALA n 418 " --> pdb=" O ASN n 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=CG3 Processing sheet with id=CG4, first strand: chain 'n' and resid 476 through 477 Processing sheet with id=CG5, first strand: chain 'n' and resid 482 through 483 Processing sheet with id=CG6, first strand: chain 'n' and resid 538 through 539 Processing sheet with id=CG7, first strand: chain 'n' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA n 617 " --> pdb=" O LEU n 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=CG7 Processing sheet with id=CG8, first strand: chain 'o' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE o 361 " --> pdb=" O THR o 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR o 240 " --> pdb=" O PHE o 361 " (cutoff:3.500A) Processing sheet with id=CG9, first strand: chain 'o' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR o 671 " --> pdb=" O GLN o 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN o 310 " --> pdb=" O TYR o 671 " (cutoff:3.500A) removed outlier: 6.053A pdb=" N THR o 673 " --> pdb=" O ASN o 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN o 308 " --> pdb=" O THR o 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN o 675 " --> pdb=" O ILE o 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE o 306 " --> pdb=" O GLN o 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA o 677 " --> pdb=" O VAL o 304 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL o 304 " --> pdb=" O ALA o 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN o 679 " --> pdb=" O MET o 302 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N MET o 302 " --> pdb=" O GLN o 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU o 681 " --> pdb=" O LYS o 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY o 296 " --> pdb=" O GLU o 685 " (cutoff:3.500A) Processing sheet with id=CH1, first strand: chain 'o' and resid 402 through 407 Processing sheet with id=CH2, first strand: chain 'o' and resid 252 through 256 removed outlier: 4.565A pdb=" N TYR o 366 " --> pdb=" O THR o 268 " (cutoff:3.500A) Processing sheet with id=CH3, first strand: chain 'o' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN o 648 " --> pdb=" O PRO o 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE o 644 " --> pdb=" O PHE o 273 " (cutoff:3.500A) Processing sheet with id=CH4, first strand: chain 'o' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA o 418 " --> pdb=" O ASN o 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=CH4 Processing sheet with id=CH5, first strand: chain 'o' and resid 436 through 440 removed outlier: 5.227A pdb=" N LEU o 438 " --> pdb=" O GLY o 457 " (cutoff:3.500A) removed outlier: 6.234A pdb=" N GLY o 457 " --> pdb=" O LEU o 438 " (cutoff:3.500A) Processing sheet with id=CH6, first strand: chain 'o' and resid 476 through 477 Processing sheet with id=CH7, first strand: chain 'o' and resid 482 through 483 Processing sheet with id=CH8, first strand: chain 'o' and resid 538 through 539 Processing sheet with id=CH9, first strand: chain 'o' and resid 590 through 593 removed outlier: 4.128A pdb=" N GLY o 575 " --> pdb=" O VAL o 593 " (cutoff:3.500A) Processing sheet with id=CI1, first strand: chain 'o' and resid 602 through 604 removed outlier: 3.703A pdb=" N MET o 602 " --> pdb=" O PHE p 626 " (cutoff:3.500A) Processing sheet with id=CI2, first strand: chain 'o' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA o 617 " --> pdb=" O LEU o 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=CI2 Processing sheet with id=CI3, first strand: chain 'p' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE p 361 " --> pdb=" O THR p 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR p 240 " --> pdb=" O PHE p 361 " (cutoff:3.500A) Processing sheet with id=CI4, first strand: chain 'p' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR p 671 " --> pdb=" O GLN p 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN p 310 " --> pdb=" O TYR p 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR p 673 " --> pdb=" O ASN p 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN p 308 " --> pdb=" O THR p 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN p 675 " --> pdb=" O ILE p 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE p 306 " --> pdb=" O GLN p 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA p 677 " --> pdb=" O VAL p 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL p 304 " --> pdb=" O ALA p 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN p 679 " --> pdb=" O MET p 302 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N MET p 302 " --> pdb=" O GLN p 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU p 681 " --> pdb=" O LYS p 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY p 296 " --> pdb=" O GLU p 685 " (cutoff:3.500A) Processing sheet with id=CI5, first strand: chain 'p' and resid 402 through 407 Processing sheet with id=CI6, first strand: chain 'p' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR p 366 " --> pdb=" O THR p 268 " (cutoff:3.500A) Processing sheet with id=CI7, first strand: chain 'p' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN p 648 " --> pdb=" O PRO p 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE p 644 " --> pdb=" O PHE p 273 " (cutoff:3.500A) Processing sheet with id=CI8, first strand: chain 'p' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA p 418 " --> pdb=" O ASN p 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=CI8 Processing sheet with id=CI9, first strand: chain 'p' and resid 476 through 477 Processing sheet with id=CJ1, first strand: chain 'p' and resid 482 through 483 Processing sheet with id=CJ2, first strand: chain 'p' and resid 538 through 539 Processing sheet with id=CJ3, first strand: chain 'p' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA p 617 " --> pdb=" O LEU p 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=CJ3 Processing sheet with id=CJ4, first strand: chain 'q' and resid 226 through 228 removed outlier: 9.040A pdb=" N PHE q 361 " --> pdb=" O THR q 238 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N THR q 240 " --> pdb=" O PHE q 361 " (cutoff:3.500A) Processing sheet with id=CJ5, first strand: chain 'q' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR q 671 " --> pdb=" O GLN q 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN q 310 " --> pdb=" O TYR q 671 " (cutoff:3.500A) removed outlier: 6.051A pdb=" N THR q 673 " --> pdb=" O ASN q 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN q 308 " --> pdb=" O THR q 673 " (cutoff:3.500A) removed outlier: 6.905A pdb=" N GLN q 675 " --> pdb=" O ILE q 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE q 306 " --> pdb=" O GLN q 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA q 677 " --> pdb=" O VAL q 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL q 304 " --> pdb=" O ALA q 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN q 679 " --> pdb=" O MET q 302 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N MET q 302 " --> pdb=" O GLN q 679 " (cutoff:3.500A) removed outlier: 6.487A pdb=" N GLU q 681 " --> pdb=" O LYS q 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY q 296 " --> pdb=" O GLU q 685 " (cutoff:3.500A) Processing sheet with id=CJ6, first strand: chain 'q' and resid 402 through 407 Processing sheet with id=CJ7, first strand: chain 'q' and resid 252 through 256 removed outlier: 4.565A pdb=" N TYR q 366 " --> pdb=" O THR q 268 " (cutoff:3.500A) Processing sheet with id=CJ8, first strand: chain 'q' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN q 648 " --> pdb=" O PRO q 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE q 644 " --> pdb=" O PHE q 273 " (cutoff:3.500A) Processing sheet with id=CJ9, first strand: chain 'q' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA q 418 " --> pdb=" O ASN q 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=CJ9 Processing sheet with id=CK1, first strand: chain 'q' and resid 436 through 440 removed outlier: 5.227A pdb=" N LEU q 438 " --> pdb=" O GLY q 457 " (cutoff:3.500A) removed outlier: 6.235A pdb=" N GLY q 457 " --> pdb=" O LEU q 438 " (cutoff:3.500A) Processing sheet with id=CK2, first strand: chain 'q' and resid 476 through 477 Processing sheet with id=CK3, first strand: chain 'q' and resid 482 through 483 Processing sheet with id=CK4, first strand: chain 'q' and resid 512 through 515 removed outlier: 4.128A pdb=" N GLY s 575 " --> pdb=" O VAL s 593 " (cutoff:3.500A) Processing sheet with id=CK5, first strand: chain 'q' and resid 538 through 539 Processing sheet with id=CK6, first strand: chain 'q' and resid 548 through 549 removed outlier: 6.234A pdb=" N GLY s 457 " --> pdb=" O LEU s 438 " (cutoff:3.500A) removed outlier: 5.226A pdb=" N LEU s 438 " --> pdb=" O GLY s 457 " (cutoff:3.500A) Processing sheet with id=CK7, first strand: chain 'q' and resid 590 through 593 removed outlier: 4.128A pdb=" N GLY q 575 " --> pdb=" O VAL q 593 " (cutoff:3.500A) Processing sheet with id=CK8, first strand: chain 'q' and resid 602 through 604 removed outlier: 3.701A pdb=" N MET q 602 " --> pdb=" O PHE r 626 " (cutoff:3.500A) Processing sheet with id=CK9, first strand: chain 'q' and resid 616 through 618 removed outlier: 6.255A pdb=" N ALA q 617 " --> pdb=" O LEU q 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=CK9 Processing sheet with id=CL1, first strand: chain 'q' and resid 624 through 626 removed outlier: 3.702A pdb=" N MET s 602 " --> pdb=" O PHE q 626 " (cutoff:3.500A) Processing sheet with id=CL2, first strand: chain 'r' and resid 226 through 228 removed outlier: 9.042A pdb=" N PHE r 361 " --> pdb=" O THR r 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR r 240 " --> pdb=" O PHE r 361 " (cutoff:3.500A) Processing sheet with id=CL3, first strand: chain 'r' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR r 671 " --> pdb=" O GLN r 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN r 310 " --> pdb=" O TYR r 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR r 673 " --> pdb=" O ASN r 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN r 308 " --> pdb=" O THR r 673 " (cutoff:3.500A) removed outlier: 6.907A pdb=" N GLN r 675 " --> pdb=" O ILE r 306 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N ILE r 306 " --> pdb=" O GLN r 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA r 677 " --> pdb=" O VAL r 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL r 304 " --> pdb=" O ALA r 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN r 679 " --> pdb=" O MET r 302 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N MET r 302 " --> pdb=" O GLN r 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU r 681 " --> pdb=" O LYS r 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY r 296 " --> pdb=" O GLU r 685 " (cutoff:3.500A) Processing sheet with id=CL4, first strand: chain 'r' and resid 402 through 407 Processing sheet with id=CL5, first strand: chain 'r' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR r 366 " --> pdb=" O THR r 268 " (cutoff:3.500A) Processing sheet with id=CL6, first strand: chain 'r' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN r 648 " --> pdb=" O PRO r 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE r 644 " --> pdb=" O PHE r 273 " (cutoff:3.500A) Processing sheet with id=CL7, first strand: chain 'r' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA r 418 " --> pdb=" O ASN r 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=CL7 Processing sheet with id=CL8, first strand: chain 'r' and resid 436 through 440 removed outlier: 5.226A pdb=" N LEU r 438 " --> pdb=" O GLY r 457 " (cutoff:3.500A) removed outlier: 6.234A pdb=" N GLY r 457 " --> pdb=" O LEU r 438 " (cutoff:3.500A) Processing sheet with id=CL9, first strand: chain 'r' and resid 476 through 477 Processing sheet with id=CM1, first strand: chain 'r' and resid 482 through 483 Processing sheet with id=CM2, first strand: chain 'r' and resid 538 through 539 Processing sheet with id=CM3, first strand: chain 'r' and resid 590 through 593 removed outlier: 4.127A pdb=" N GLY r 575 " --> pdb=" O VAL r 593 " (cutoff:3.500A) Processing sheet with id=CM4, first strand: chain 'r' and resid 602 through 604 removed outlier: 3.702A pdb=" N MET r 602 " --> pdb=" O PHE s 626 " (cutoff:3.500A) Processing sheet with id=CM5, first strand: chain 'r' and resid 616 through 618 removed outlier: 6.255A pdb=" N ALA r 617 " --> pdb=" O LEU r 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=CM5 Processing sheet with id=CM6, first strand: chain 's' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE s 361 " --> pdb=" O THR s 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR s 240 " --> pdb=" O PHE s 361 " (cutoff:3.500A) Processing sheet with id=CM7, first strand: chain 's' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR s 671 " --> pdb=" O GLN s 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN s 310 " --> pdb=" O TYR s 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR s 673 " --> pdb=" O ASN s 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN s 308 " --> pdb=" O THR s 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN s 675 " --> pdb=" O ILE s 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE s 306 " --> pdb=" O GLN s 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA s 677 " --> pdb=" O VAL s 304 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL s 304 " --> pdb=" O ALA s 677 " (cutoff:3.500A) removed outlier: 6.542A pdb=" N GLN s 679 " --> pdb=" O MET s 302 " (cutoff:3.500A) removed outlier: 4.230A pdb=" N MET s 302 " --> pdb=" O GLN s 679 " (cutoff:3.500A) removed outlier: 6.487A pdb=" N GLU s 681 " --> pdb=" O LYS s 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY s 296 " --> pdb=" O GLU s 685 " (cutoff:3.500A) Processing sheet with id=CM8, first strand: chain 's' and resid 402 through 407 Processing sheet with id=CM9, first strand: chain 's' and resid 252 through 256 removed outlier: 4.565A pdb=" N TYR s 366 " --> pdb=" O THR s 268 " (cutoff:3.500A) Processing sheet with id=CN1, first strand: chain 's' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN s 648 " --> pdb=" O PRO s 269 " (cutoff:3.500A) removed outlier: 4.612A pdb=" N ILE s 644 " --> pdb=" O PHE s 273 " (cutoff:3.500A) Processing sheet with id=CN2, first strand: chain 's' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA s 418 " --> pdb=" O ASN s 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=CN2 Processing sheet with id=CN3, first strand: chain 's' and resid 476 through 477 Processing sheet with id=CN4, first strand: chain 's' and resid 482 through 483 Processing sheet with id=CN5, first strand: chain 's' and resid 538 through 539 Processing sheet with id=CN6, first strand: chain 's' and resid 616 through 618 removed outlier: 6.255A pdb=" N ALA s 617 " --> pdb=" O LEU s 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=CN6 Processing sheet with id=CN7, first strand: chain 't' and resid 226 through 228 removed outlier: 9.042A pdb=" N PHE t 361 " --> pdb=" O THR t 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR t 240 " --> pdb=" O PHE t 361 " (cutoff:3.500A) Processing sheet with id=CN8, first strand: chain 't' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR t 671 " --> pdb=" O GLN t 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN t 310 " --> pdb=" O TYR t 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR t 673 " --> pdb=" O ASN t 308 " (cutoff:3.500A) removed outlier: 6.499A pdb=" N ASN t 308 " --> pdb=" O THR t 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN t 675 " --> pdb=" O ILE t 306 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N ILE t 306 " --> pdb=" O GLN t 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA t 677 " --> pdb=" O VAL t 304 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL t 304 " --> pdb=" O ALA t 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN t 679 " --> pdb=" O MET t 302 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N MET t 302 " --> pdb=" O GLN t 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU t 681 " --> pdb=" O LYS t 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY t 296 " --> pdb=" O GLU t 685 " (cutoff:3.500A) Processing sheet with id=CN9, first strand: chain 't' and resid 402 through 407 Processing sheet with id=CO1, first strand: chain 't' and resid 252 through 256 removed outlier: 4.565A pdb=" N TYR t 366 " --> pdb=" O THR t 268 " (cutoff:3.500A) Processing sheet with id=CO2, first strand: chain 't' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN t 648 " --> pdb=" O PRO t 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE t 644 " --> pdb=" O PHE t 273 " (cutoff:3.500A) Processing sheet with id=CO3, first strand: chain 't' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA t 418 " --> pdb=" O ASN t 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=CO3 Processing sheet with id=CO4, first strand: chain 't' and resid 436 through 440 removed outlier: 5.226A pdb=" N LEU t 438 " --> pdb=" O GLY t 457 " (cutoff:3.500A) removed outlier: 6.234A pdb=" N GLY t 457 " --> pdb=" O LEU t 438 " (cutoff:3.500A) Processing sheet with id=CO5, first strand: chain 't' and resid 476 through 477 Processing sheet with id=CO6, first strand: chain 't' and resid 482 through 483 Processing sheet with id=CO7, first strand: chain 't' and resid 512 through 515 removed outlier: 4.128A pdb=" N GLY v 575 " --> pdb=" O VAL v 593 " (cutoff:3.500A) Processing sheet with id=CO8, first strand: chain 't' and resid 538 through 539 Processing sheet with id=CO9, first strand: chain 't' and resid 548 through 549 removed outlier: 6.234A pdb=" N GLY v 457 " --> pdb=" O LEU v 438 " (cutoff:3.500A) removed outlier: 5.226A pdb=" N LEU v 438 " --> pdb=" O GLY v 457 " (cutoff:3.500A) Processing sheet with id=CP1, first strand: chain 't' and resid 590 through 593 removed outlier: 4.128A pdb=" N GLY t 575 " --> pdb=" O VAL t 593 " (cutoff:3.500A) Processing sheet with id=CP2, first strand: chain 't' and resid 602 through 604 removed outlier: 3.703A pdb=" N MET t 602 " --> pdb=" O PHE u 626 " (cutoff:3.500A) Processing sheet with id=CP3, first strand: chain 't' and resid 616 through 618 removed outlier: 6.255A pdb=" N ALA t 617 " --> pdb=" O LEU t 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=CP3 Processing sheet with id=CP4, first strand: chain 't' and resid 624 through 626 removed outlier: 3.699A pdb=" N MET v 602 " --> pdb=" O PHE t 626 " (cutoff:3.500A) Processing sheet with id=CP5, first strand: chain 'u' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE u 361 " --> pdb=" O THR u 238 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N THR u 240 " --> pdb=" O PHE u 361 " (cutoff:3.500A) Processing sheet with id=CP6, first strand: chain 'u' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR u 671 " --> pdb=" O GLN u 310 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN u 310 " --> pdb=" O TYR u 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR u 673 " --> pdb=" O ASN u 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN u 308 " --> pdb=" O THR u 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN u 675 " --> pdb=" O ILE u 306 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N ILE u 306 " --> pdb=" O GLN u 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA u 677 " --> pdb=" O VAL u 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL u 304 " --> pdb=" O ALA u 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN u 679 " --> pdb=" O MET u 302 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N MET u 302 " --> pdb=" O GLN u 679 " (cutoff:3.500A) removed outlier: 6.487A pdb=" N GLU u 681 " --> pdb=" O LYS u 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY u 296 " --> pdb=" O GLU u 685 " (cutoff:3.500A) Processing sheet with id=CP7, first strand: chain 'u' and resid 402 through 407 Processing sheet with id=CP8, first strand: chain 'u' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR u 366 " --> pdb=" O THR u 268 " (cutoff:3.500A) Processing sheet with id=CP9, first strand: chain 'u' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN u 648 " --> pdb=" O PRO u 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE u 644 " --> pdb=" O PHE u 273 " (cutoff:3.500A) Processing sheet with id=CQ1, first strand: chain 'u' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA u 418 " --> pdb=" O ASN u 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=CQ1 Processing sheet with id=CQ2, first strand: chain 'u' and resid 436 through 440 removed outlier: 5.227A pdb=" N LEU u 438 " --> pdb=" O GLY u 457 " (cutoff:3.500A) removed outlier: 6.234A pdb=" N GLY u 457 " --> pdb=" O LEU u 438 " (cutoff:3.500A) Processing sheet with id=CQ3, first strand: chain 'u' and resid 476 through 477 Processing sheet with id=CQ4, first strand: chain 'u' and resid 482 through 483 Processing sheet with id=CQ5, first strand: chain 'u' and resid 538 through 539 Processing sheet with id=CQ6, first strand: chain 'u' and resid 590 through 593 removed outlier: 4.128A pdb=" N GLY u 575 " --> pdb=" O VAL u 593 " (cutoff:3.500A) Processing sheet with id=CQ7, first strand: chain 'u' and resid 602 through 604 removed outlier: 3.704A pdb=" N MET u 602 " --> pdb=" O PHE v 626 " (cutoff:3.500A) Processing sheet with id=CQ8, first strand: chain 'u' and resid 616 through 618 removed outlier: 6.257A pdb=" N ALA u 617 " --> pdb=" O LEU u 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=CQ8 Processing sheet with id=CQ9, first strand: chain 'v' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE v 361 " --> pdb=" O THR v 238 " (cutoff:3.500A) removed outlier: 6.501A pdb=" N THR v 240 " --> pdb=" O PHE v 361 " (cutoff:3.500A) Processing sheet with id=CR1, first strand: chain 'v' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR v 671 " --> pdb=" O GLN v 310 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN v 310 " --> pdb=" O TYR v 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR v 673 " --> pdb=" O ASN v 308 " (cutoff:3.500A) removed outlier: 6.499A pdb=" N ASN v 308 " --> pdb=" O THR v 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN v 675 " --> pdb=" O ILE v 306 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N ILE v 306 " --> pdb=" O GLN v 675 " (cutoff:3.500A) removed outlier: 6.619A pdb=" N ALA v 677 " --> pdb=" O VAL v 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL v 304 " --> pdb=" O ALA v 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN v 679 " --> pdb=" O MET v 302 " (cutoff:3.500A) removed outlier: 4.230A pdb=" N MET v 302 " --> pdb=" O GLN v 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU v 681 " --> pdb=" O LYS v 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY v 296 " --> pdb=" O GLU v 685 " (cutoff:3.500A) Processing sheet with id=CR2, first strand: chain 'v' and resid 402 through 407 Processing sheet with id=CR3, first strand: chain 'v' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR v 366 " --> pdb=" O THR v 268 " (cutoff:3.500A) Processing sheet with id=CR4, first strand: chain 'v' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN v 648 " --> pdb=" O PRO v 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE v 644 " --> pdb=" O PHE v 273 " (cutoff:3.500A) Processing sheet with id=CR5, first strand: chain 'v' and resid 418 through 419 removed outlier: 5.859A pdb=" N ALA v 418 " --> pdb=" O ASN v 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=CR5 Processing sheet with id=CR6, first strand: chain 'v' and resid 476 through 477 Processing sheet with id=CR7, first strand: chain 'v' and resid 482 through 483 Processing sheet with id=CR8, first strand: chain 'v' and resid 538 through 539 Processing sheet with id=CR9, first strand: chain 'v' and resid 616 through 618 removed outlier: 6.255A pdb=" N ALA v 617 " --> pdb=" O LEU v 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=CR9 Processing sheet with id=CS1, first strand: chain 'w' and resid 226 through 228 removed outlier: 9.042A pdb=" N PHE w 361 " --> pdb=" O THR w 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR w 240 " --> pdb=" O PHE w 361 " (cutoff:3.500A) Processing sheet with id=CS2, first strand: chain 'w' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR w 671 " --> pdb=" O GLN w 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN w 310 " --> pdb=" O TYR w 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR w 673 " --> pdb=" O ASN w 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN w 308 " --> pdb=" O THR w 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN w 675 " --> pdb=" O ILE w 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE w 306 " --> pdb=" O GLN w 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA w 677 " --> pdb=" O VAL w 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL w 304 " --> pdb=" O ALA w 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN w 679 " --> pdb=" O MET w 302 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N MET w 302 " --> pdb=" O GLN w 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU w 681 " --> pdb=" O LYS w 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY w 296 " --> pdb=" O GLU w 685 " (cutoff:3.500A) Processing sheet with id=CS3, first strand: chain 'w' and resid 402 through 407 Processing sheet with id=CS4, first strand: chain 'w' and resid 252 through 256 removed outlier: 4.565A pdb=" N TYR w 366 " --> pdb=" O THR w 268 " (cutoff:3.500A) Processing sheet with id=CS5, first strand: chain 'w' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN w 648 " --> pdb=" O PRO w 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE w 644 " --> pdb=" O PHE w 273 " (cutoff:3.500A) Processing sheet with id=CS6, first strand: chain 'w' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA w 418 " --> pdb=" O ASN w 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=CS6 Processing sheet with id=CS7, first strand: chain 'w' and resid 436 through 440 removed outlier: 5.227A pdb=" N LEU w 438 " --> pdb=" O GLY w 457 " (cutoff:3.500A) removed outlier: 6.234A pdb=" N GLY w 457 " --> pdb=" O LEU w 438 " (cutoff:3.500A) Processing sheet with id=CS8, first strand: chain 'w' and resid 476 through 477 Processing sheet with id=CS9, first strand: chain 'w' and resid 482 through 483 Processing sheet with id=CT1, first strand: chain 'w' and resid 512 through 515 removed outlier: 4.128A pdb=" N GLY y 575 " --> pdb=" O VAL y 593 " (cutoff:3.500A) Processing sheet with id=CT2, first strand: chain 'w' and resid 538 through 539 Processing sheet with id=CT3, first strand: chain 'w' and resid 548 through 549 removed outlier: 6.234A pdb=" N GLY y 457 " --> pdb=" O LEU y 438 " (cutoff:3.500A) removed outlier: 5.226A pdb=" N LEU y 438 " --> pdb=" O GLY y 457 " (cutoff:3.500A) Processing sheet with id=CT4, first strand: chain 'w' and resid 590 through 593 removed outlier: 4.128A pdb=" N GLY w 575 " --> pdb=" O VAL w 593 " (cutoff:3.500A) Processing sheet with id=CT5, first strand: chain 'w' and resid 602 through 604 removed outlier: 3.704A pdb=" N MET w 602 " --> pdb=" O PHE x 626 " (cutoff:3.500A) Processing sheet with id=CT6, first strand: chain 'w' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA w 617 " --> pdb=" O LEU w 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=CT6 Processing sheet with id=CT7, first strand: chain 'w' and resid 624 through 626 removed outlier: 3.699A pdb=" N MET y 602 " --> pdb=" O PHE w 626 " (cutoff:3.500A) Processing sheet with id=CT8, first strand: chain 'x' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE x 361 " --> pdb=" O THR x 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR x 240 " --> pdb=" O PHE x 361 " (cutoff:3.500A) Processing sheet with id=CT9, first strand: chain 'x' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR x 671 " --> pdb=" O GLN x 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN x 310 " --> pdb=" O TYR x 671 " (cutoff:3.500A) removed outlier: 6.053A pdb=" N THR x 673 " --> pdb=" O ASN x 308 " (cutoff:3.500A) removed outlier: 6.499A pdb=" N ASN x 308 " --> pdb=" O THR x 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN x 675 " --> pdb=" O ILE x 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE x 306 " --> pdb=" O GLN x 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA x 677 " --> pdb=" O VAL x 304 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL x 304 " --> pdb=" O ALA x 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN x 679 " --> pdb=" O MET x 302 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N MET x 302 " --> pdb=" O GLN x 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU x 681 " --> pdb=" O LYS x 300 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N GLY x 296 " --> pdb=" O GLU x 685 " (cutoff:3.500A) Processing sheet with id=CU1, first strand: chain 'x' and resid 402 through 407 Processing sheet with id=CU2, first strand: chain 'x' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR x 366 " --> pdb=" O THR x 268 " (cutoff:3.500A) Processing sheet with id=CU3, first strand: chain 'x' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN x 648 " --> pdb=" O PRO x 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE x 644 " --> pdb=" O PHE x 273 " (cutoff:3.500A) Processing sheet with id=CU4, first strand: chain 'x' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA x 418 " --> pdb=" O ASN x 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=CU4 Processing sheet with id=CU5, first strand: chain 'x' and resid 436 through 440 removed outlier: 5.227A pdb=" N LEU x 438 " --> pdb=" O GLY x 457 " (cutoff:3.500A) removed outlier: 6.234A pdb=" N GLY x 457 " --> pdb=" O LEU x 438 " (cutoff:3.500A) Processing sheet with id=CU6, first strand: chain 'x' and resid 476 through 477 Processing sheet with id=CU7, first strand: chain 'x' and resid 482 through 483 Processing sheet with id=CU8, first strand: chain 'x' and resid 538 through 539 Processing sheet with id=CU9, first strand: chain 'x' and resid 590 through 593 removed outlier: 4.128A pdb=" N GLY x 575 " --> pdb=" O VAL x 593 " (cutoff:3.500A) Processing sheet with id=CV1, first strand: chain 'x' and resid 602 through 604 removed outlier: 3.704A pdb=" N MET x 602 " --> pdb=" O PHE y 626 " (cutoff:3.500A) Processing sheet with id=CV2, first strand: chain 'x' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA x 617 " --> pdb=" O LEU x 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=CV2 Processing sheet with id=CV3, first strand: chain 'y' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE y 361 " --> pdb=" O THR y 238 " (cutoff:3.500A) removed outlier: 6.501A pdb=" N THR y 240 " --> pdb=" O PHE y 361 " (cutoff:3.500A) Processing sheet with id=CV4, first strand: chain 'y' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR y 671 " --> pdb=" O GLN y 310 " (cutoff:3.500A) removed outlier: 7.078A pdb=" N GLN y 310 " --> pdb=" O TYR y 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR y 673 " --> pdb=" O ASN y 308 " (cutoff:3.500A) removed outlier: 6.499A pdb=" N ASN y 308 " --> pdb=" O THR y 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN y 675 " --> pdb=" O ILE y 306 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N ILE y 306 " --> pdb=" O GLN y 675 " (cutoff:3.500A) removed outlier: 6.619A pdb=" N ALA y 677 " --> pdb=" O VAL y 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL y 304 " --> pdb=" O ALA y 677 " (cutoff:3.500A) removed outlier: 6.542A pdb=" N GLN y 679 " --> pdb=" O MET y 302 " (cutoff:3.500A) removed outlier: 4.230A pdb=" N MET y 302 " --> pdb=" O GLN y 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU y 681 " --> pdb=" O LYS y 300 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N GLY y 296 " --> pdb=" O GLU y 685 " (cutoff:3.500A) Processing sheet with id=CV5, first strand: chain 'y' and resid 402 through 407 Processing sheet with id=CV6, first strand: chain 'y' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR y 366 " --> pdb=" O THR y 268 " (cutoff:3.500A) Processing sheet with id=CV7, first strand: chain 'y' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN y 648 " --> pdb=" O PRO y 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE y 644 " --> pdb=" O PHE y 273 " (cutoff:3.500A) Processing sheet with id=CV8, first strand: chain 'y' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA y 418 " --> pdb=" O ASN y 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=CV8 Processing sheet with id=CV9, first strand: chain 'y' and resid 476 through 477 Processing sheet with id=CW1, first strand: chain 'y' and resid 482 through 483 Processing sheet with id=CW2, first strand: chain 'y' and resid 538 through 539 Processing sheet with id=CW3, first strand: chain 'y' and resid 616 through 618 removed outlier: 6.255A pdb=" N ALA y 617 " --> pdb=" O LEU y 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=CW3 Processing sheet with id=CW4, first strand: chain 'z' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE z 361 " --> pdb=" O THR z 238 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N THR z 240 " --> pdb=" O PHE z 361 " (cutoff:3.500A) Processing sheet with id=CW5, first strand: chain 'z' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR z 671 " --> pdb=" O GLN z 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN z 310 " --> pdb=" O TYR z 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR z 673 " --> pdb=" O ASN z 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN z 308 " --> pdb=" O THR z 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN z 675 " --> pdb=" O ILE z 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE z 306 " --> pdb=" O GLN z 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA z 677 " --> pdb=" O VAL z 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL z 304 " --> pdb=" O ALA z 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN z 679 " --> pdb=" O MET z 302 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N MET z 302 " --> pdb=" O GLN z 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU z 681 " --> pdb=" O LYS z 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY z 296 " --> pdb=" O GLU z 685 " (cutoff:3.500A) Processing sheet with id=CW6, first strand: chain 'z' and resid 402 through 407 Processing sheet with id=CW7, first strand: chain 'z' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR z 366 " --> pdb=" O THR z 268 " (cutoff:3.500A) Processing sheet with id=CW8, first strand: chain 'z' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN z 648 " --> pdb=" O PRO z 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE z 644 " --> pdb=" O PHE z 273 " (cutoff:3.500A) Processing sheet with id=CW9, first strand: chain 'z' and resid 418 through 419 removed outlier: 5.859A pdb=" N ALA z 418 " --> pdb=" O ASN z 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=CW9 Processing sheet with id=CX1, first strand: chain 'z' and resid 436 through 440 removed outlier: 5.226A pdb=" N LEU z 438 " --> pdb=" O GLY z 457 " (cutoff:3.500A) removed outlier: 6.234A pdb=" N GLY z 457 " --> pdb=" O LEU z 438 " (cutoff:3.500A) Processing sheet with id=CX2, first strand: chain 'z' and resid 476 through 477 Processing sheet with id=CX3, first strand: chain 'z' and resid 482 through 483 Processing sheet with id=CX4, first strand: chain 'z' and resid 512 through 515 removed outlier: 4.127A pdb=" N GLY 2 575 " --> pdb=" O VAL 2 593 " (cutoff:3.500A) Processing sheet with id=CX5, first strand: chain 'z' and resid 538 through 539 Processing sheet with id=CX6, first strand: chain 'z' and resid 548 through 549 removed outlier: 6.234A pdb=" N GLY 2 457 " --> pdb=" O LEU 2 438 " (cutoff:3.500A) removed outlier: 5.226A pdb=" N LEU 2 438 " --> pdb=" O GLY 2 457 " (cutoff:3.500A) Processing sheet with id=CX7, first strand: chain 'z' and resid 590 through 593 removed outlier: 4.127A pdb=" N GLY z 575 " --> pdb=" O VAL z 593 " (cutoff:3.500A) Processing sheet with id=CX8, first strand: chain 'z' and resid 602 through 604 removed outlier: 3.699A pdb=" N MET z 602 " --> pdb=" O PHE 1 626 " (cutoff:3.500A) Processing sheet with id=CX9, first strand: chain 'z' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA z 617 " --> pdb=" O LEU z 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=CX9 Processing sheet with id=CY1, first strand: chain 'z' and resid 624 through 626 removed outlier: 3.704A pdb=" N MET 2 602 " --> pdb=" O PHE z 626 " (cutoff:3.500A) Processing sheet with id=CY2, first strand: chain '1' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE 1 361 " --> pdb=" O THR 1 238 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N THR 1 240 " --> pdb=" O PHE 1 361 " (cutoff:3.500A) Processing sheet with id=CY3, first strand: chain '1' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR 1 671 " --> pdb=" O GLN 1 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN 1 310 " --> pdb=" O TYR 1 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR 1 673 " --> pdb=" O ASN 1 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN 1 308 " --> pdb=" O THR 1 673 " (cutoff:3.500A) removed outlier: 6.905A pdb=" N GLN 1 675 " --> pdb=" O ILE 1 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE 1 306 " --> pdb=" O GLN 1 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA 1 677 " --> pdb=" O VAL 1 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL 1 304 " --> pdb=" O ALA 1 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN 1 679 " --> pdb=" O MET 1 302 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N MET 1 302 " --> pdb=" O GLN 1 679 " (cutoff:3.500A) removed outlier: 6.487A pdb=" N GLU 1 681 " --> pdb=" O LYS 1 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY 1 296 " --> pdb=" O GLU 1 685 " (cutoff:3.500A) Processing sheet with id=CY4, first strand: chain '1' and resid 402 through 407 Processing sheet with id=CY5, first strand: chain '1' and resid 252 through 256 removed outlier: 4.565A pdb=" N TYR 1 366 " --> pdb=" O THR 1 268 " (cutoff:3.500A) Processing sheet with id=CY6, first strand: chain '1' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN 1 648 " --> pdb=" O PRO 1 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE 1 644 " --> pdb=" O PHE 1 273 " (cutoff:3.500A) Processing sheet with id=CY7, first strand: chain '1' and resid 418 through 419 removed outlier: 5.859A pdb=" N ALA 1 418 " --> pdb=" O ASN 1 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=CY7 Processing sheet with id=CY8, first strand: chain '1' and resid 436 through 440 removed outlier: 5.227A pdb=" N LEU 1 438 " --> pdb=" O GLY 1 457 " (cutoff:3.500A) removed outlier: 6.235A pdb=" N GLY 1 457 " --> pdb=" O LEU 1 438 " (cutoff:3.500A) Processing sheet with id=CY9, first strand: chain '1' and resid 476 through 477 Processing sheet with id=CZ1, first strand: chain '1' and resid 482 through 483 Processing sheet with id=CZ2, first strand: chain '1' and resid 538 through 539 Processing sheet with id=CZ3, first strand: chain '1' and resid 590 through 593 removed outlier: 4.128A pdb=" N GLY 1 575 " --> pdb=" O VAL 1 593 " (cutoff:3.500A) Processing sheet with id=CZ4, first strand: chain '1' and resid 602 through 604 removed outlier: 3.701A pdb=" N MET 1 602 " --> pdb=" O PHE 2 626 " (cutoff:3.500A) Processing sheet with id=CZ5, first strand: chain '1' and resid 616 through 618 removed outlier: 6.255A pdb=" N ALA 1 617 " --> pdb=" O LEU 1 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=CZ5 Processing sheet with id=CZ6, first strand: chain '2' and resid 226 through 228 removed outlier: 9.042A pdb=" N PHE 2 361 " --> pdb=" O THR 2 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR 2 240 " --> pdb=" O PHE 2 361 " (cutoff:3.500A) Processing sheet with id=CZ7, first strand: chain '2' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR 2 671 " --> pdb=" O GLN 2 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN 2 310 " --> pdb=" O TYR 2 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR 2 673 " --> pdb=" O ASN 2 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN 2 308 " --> pdb=" O THR 2 673 " (cutoff:3.500A) removed outlier: 6.907A pdb=" N GLN 2 675 " --> pdb=" O ILE 2 306 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N ILE 2 306 " --> pdb=" O GLN 2 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA 2 677 " --> pdb=" O VAL 2 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL 2 304 " --> pdb=" O ALA 2 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN 2 679 " --> pdb=" O MET 2 302 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N MET 2 302 " --> pdb=" O GLN 2 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU 2 681 " --> pdb=" O LYS 2 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY 2 296 " --> pdb=" O GLU 2 685 " (cutoff:3.500A) Processing sheet with id=CZ8, first strand: chain '2' and resid 402 through 407 Processing sheet with id=CZ9, first strand: chain '2' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR 2 366 " --> pdb=" O THR 2 268 " (cutoff:3.500A) Processing sheet with id=DA1, first strand: chain '2' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN 2 648 " --> pdb=" O PRO 2 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE 2 644 " --> pdb=" O PHE 2 273 " (cutoff:3.500A) Processing sheet with id=DA2, first strand: chain '2' and resid 418 through 419 removed outlier: 5.859A pdb=" N ALA 2 418 " --> pdb=" O ASN 2 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=DA2 Processing sheet with id=DA3, first strand: chain '2' and resid 476 through 477 Processing sheet with id=DA4, first strand: chain '2' and resid 482 through 483 Processing sheet with id=DA5, first strand: chain '2' and resid 538 through 539 Processing sheet with id=DA6, first strand: chain '2' and resid 616 through 618 removed outlier: 6.255A pdb=" N ALA 2 617 " --> pdb=" O LEU 2 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=DA6 Processing sheet with id=DA7, first strand: chain '3' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE 3 361 " --> pdb=" O THR 3 238 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N THR 3 240 " --> pdb=" O PHE 3 361 " (cutoff:3.500A) Processing sheet with id=DA8, first strand: chain '3' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR 3 671 " --> pdb=" O GLN 3 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN 3 310 " --> pdb=" O TYR 3 671 " (cutoff:3.500A) removed outlier: 6.053A pdb=" N THR 3 673 " --> pdb=" O ASN 3 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN 3 308 " --> pdb=" O THR 3 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN 3 675 " --> pdb=" O ILE 3 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE 3 306 " --> pdb=" O GLN 3 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA 3 677 " --> pdb=" O VAL 3 304 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL 3 304 " --> pdb=" O ALA 3 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN 3 679 " --> pdb=" O MET 3 302 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N MET 3 302 " --> pdb=" O GLN 3 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU 3 681 " --> pdb=" O LYS 3 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY 3 296 " --> pdb=" O GLU 3 685 " (cutoff:3.500A) Processing sheet with id=DA9, first strand: chain '3' and resid 402 through 407 Processing sheet with id=DB1, first strand: chain '3' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR 3 366 " --> pdb=" O THR 3 268 " (cutoff:3.500A) Processing sheet with id=DB2, first strand: chain '3' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN 3 648 " --> pdb=" O PRO 3 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE 3 644 " --> pdb=" O PHE 3 273 " (cutoff:3.500A) Processing sheet with id=DB3, first strand: chain '3' and resid 418 through 419 removed outlier: 5.859A pdb=" N ALA 3 418 " --> pdb=" O ASN 3 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=DB3 Processing sheet with id=DB4, first strand: chain '3' and resid 476 through 477 Processing sheet with id=DB5, first strand: chain '3' and resid 482 through 483 Processing sheet with id=DB6, first strand: chain '3' and resid 512 through 515 removed outlier: 4.127A pdb=" N GLY 4 575 " --> pdb=" O VAL 4 593 " (cutoff:3.500A) Processing sheet with id=DB7, first strand: chain '3' and resid 538 through 539 Processing sheet with id=DB8, first strand: chain '3' and resid 548 through 549 removed outlier: 6.233A pdb=" N GLY 4 457 " --> pdb=" O LEU 4 438 " (cutoff:3.500A) removed outlier: 5.226A pdb=" N LEU 4 438 " --> pdb=" O GLY 4 457 " (cutoff:3.500A) Processing sheet with id=DB9, first strand: chain '3' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA 3 617 " --> pdb=" O LEU 3 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=DB9 Processing sheet with id=DC1, first strand: chain '3' and resid 624 through 626 removed outlier: 3.705A pdb=" N MET 4 602 " --> pdb=" O PHE 3 626 " (cutoff:3.500A) Processing sheet with id=DC2, first strand: chain '4' and resid 226 through 228 removed outlier: 9.042A pdb=" N PHE 4 361 " --> pdb=" O THR 4 238 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N THR 4 240 " --> pdb=" O PHE 4 361 " (cutoff:3.500A) Processing sheet with id=DC3, first strand: chain '4' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR 4 671 " --> pdb=" O GLN 4 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN 4 310 " --> pdb=" O TYR 4 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR 4 673 " --> pdb=" O ASN 4 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN 4 308 " --> pdb=" O THR 4 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN 4 675 " --> pdb=" O ILE 4 306 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N ILE 4 306 " --> pdb=" O GLN 4 675 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ALA 4 677 " --> pdb=" O VAL 4 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL 4 304 " --> pdb=" O ALA 4 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN 4 679 " --> pdb=" O MET 4 302 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N MET 4 302 " --> pdb=" O GLN 4 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU 4 681 " --> pdb=" O LYS 4 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY 4 296 " --> pdb=" O GLU 4 685 " (cutoff:3.500A) Processing sheet with id=DC4, first strand: chain '4' and resid 402 through 407 Processing sheet with id=DC5, first strand: chain '4' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR 4 366 " --> pdb=" O THR 4 268 " (cutoff:3.500A) Processing sheet with id=DC6, first strand: chain '4' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN 4 648 " --> pdb=" O PRO 4 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE 4 644 " --> pdb=" O PHE 4 273 " (cutoff:3.500A) Processing sheet with id=DC7, first strand: chain '4' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA 4 418 " --> pdb=" O ASN 4 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=DC7 Processing sheet with id=DC8, first strand: chain '4' and resid 476 through 477 Processing sheet with id=DC9, first strand: chain '4' and resid 482 through 483 Processing sheet with id=DD1, first strand: chain '4' and resid 538 through 539 Processing sheet with id=DD2, first strand: chain '4' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA 4 617 " --> pdb=" O LEU 4 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=DD2 Processing sheet with id=DD3, first strand: chain '5' and resid 226 through 228 removed outlier: 9.042A pdb=" N PHE 5 361 " --> pdb=" O THR 5 238 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N THR 5 240 " --> pdb=" O PHE 5 361 " (cutoff:3.500A) Processing sheet with id=DD4, first strand: chain '5' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR 5 671 " --> pdb=" O GLN 5 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN 5 310 " --> pdb=" O TYR 5 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR 5 673 " --> pdb=" O ASN 5 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN 5 308 " --> pdb=" O THR 5 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN 5 675 " --> pdb=" O ILE 5 306 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N ILE 5 306 " --> pdb=" O GLN 5 675 " (cutoff:3.500A) removed outlier: 6.619A pdb=" N ALA 5 677 " --> pdb=" O VAL 5 304 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL 5 304 " --> pdb=" O ALA 5 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN 5 679 " --> pdb=" O MET 5 302 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N MET 5 302 " --> pdb=" O GLN 5 679 " (cutoff:3.500A) removed outlier: 6.487A pdb=" N GLU 5 681 " --> pdb=" O LYS 5 300 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N GLY 5 296 " --> pdb=" O GLU 5 685 " (cutoff:3.500A) Processing sheet with id=DD5, first strand: chain '5' and resid 402 through 407 Processing sheet with id=DD6, first strand: chain '5' and resid 252 through 256 removed outlier: 4.565A pdb=" N TYR 5 366 " --> pdb=" O THR 5 268 " (cutoff:3.500A) Processing sheet with id=DD7, first strand: chain '5' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN 5 648 " --> pdb=" O PRO 5 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE 5 644 " --> pdb=" O PHE 5 273 " (cutoff:3.500A) Processing sheet with id=DD8, first strand: chain '5' and resid 418 through 419 removed outlier: 5.859A pdb=" N ALA 5 418 " --> pdb=" O ASN 5 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=DD8 Processing sheet with id=DD9, first strand: chain '5' and resid 436 through 440 removed outlier: 5.227A pdb=" N LEU 5 438 " --> pdb=" O GLY 5 457 " (cutoff:3.500A) removed outlier: 6.235A pdb=" N GLY 5 457 " --> pdb=" O LEU 5 438 " (cutoff:3.500A) Processing sheet with id=DE1, first strand: chain '5' and resid 476 through 477 Processing sheet with id=DE2, first strand: chain '5' and resid 482 through 483 Processing sheet with id=DE3, first strand: chain '5' and resid 512 through 515 removed outlier: 4.128A pdb=" N GLY 7 575 " --> pdb=" O VAL 7 593 " (cutoff:3.500A) Processing sheet with id=DE4, first strand: chain '5' and resid 538 through 539 Processing sheet with id=DE5, first strand: chain '5' and resid 548 through 549 removed outlier: 6.234A pdb=" N GLY 7 457 " --> pdb=" O LEU 7 438 " (cutoff:3.500A) removed outlier: 5.227A pdb=" N LEU 7 438 " --> pdb=" O GLY 7 457 " (cutoff:3.500A) Processing sheet with id=DE6, first strand: chain '5' and resid 590 through 593 removed outlier: 4.128A pdb=" N GLY 5 575 " --> pdb=" O VAL 5 593 " (cutoff:3.500A) Processing sheet with id=DE7, first strand: chain '5' and resid 602 through 604 removed outlier: 3.701A pdb=" N MET 5 602 " --> pdb=" O PHE 6 626 " (cutoff:3.500A) Processing sheet with id=DE8, first strand: chain '5' and resid 616 through 618 removed outlier: 6.257A pdb=" N ALA 5 617 " --> pdb=" O LEU 5 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=DE8 Processing sheet with id=DE9, first strand: chain '5' and resid 624 through 626 removed outlier: 3.719A pdb=" N MET 7 602 " --> pdb=" O PHE 5 626 " (cutoff:3.500A) Processing sheet with id=DF1, first strand: chain '6' and resid 226 through 228 removed outlier: 9.042A pdb=" N PHE 6 361 " --> pdb=" O THR 6 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR 6 240 " --> pdb=" O PHE 6 361 " (cutoff:3.500A) Processing sheet with id=DF2, first strand: chain '6' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR 6 671 " --> pdb=" O GLN 6 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN 6 310 " --> pdb=" O TYR 6 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR 6 673 " --> pdb=" O ASN 6 308 " (cutoff:3.500A) removed outlier: 6.499A pdb=" N ASN 6 308 " --> pdb=" O THR 6 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN 6 675 " --> pdb=" O ILE 6 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE 6 306 " --> pdb=" O GLN 6 675 " (cutoff:3.500A) removed outlier: 6.619A pdb=" N ALA 6 677 " --> pdb=" O VAL 6 304 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL 6 304 " --> pdb=" O ALA 6 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN 6 679 " --> pdb=" O MET 6 302 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N MET 6 302 " --> pdb=" O GLN 6 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU 6 681 " --> pdb=" O LYS 6 300 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N GLY 6 296 " --> pdb=" O GLU 6 685 " (cutoff:3.500A) Processing sheet with id=DF3, first strand: chain '6' and resid 402 through 407 Processing sheet with id=DF4, first strand: chain '6' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR 6 366 " --> pdb=" O THR 6 268 " (cutoff:3.500A) Processing sheet with id=DF5, first strand: chain '6' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN 6 648 " --> pdb=" O PRO 6 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE 6 644 " --> pdb=" O PHE 6 273 " (cutoff:3.500A) Processing sheet with id=DF6, first strand: chain '6' and resid 418 through 419 removed outlier: 5.861A pdb=" N ALA 6 418 " --> pdb=" O ASN 6 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=DF6 Processing sheet with id=DF7, first strand: chain '6' and resid 436 through 440 removed outlier: 5.227A pdb=" N LEU 6 438 " --> pdb=" O GLY 6 457 " (cutoff:3.500A) removed outlier: 6.235A pdb=" N GLY 6 457 " --> pdb=" O LEU 6 438 " (cutoff:3.500A) Processing sheet with id=DF8, first strand: chain '6' and resid 476 through 477 Processing sheet with id=DF9, first strand: chain '6' and resid 482 through 483 Processing sheet with id=DG1, first strand: chain '6' and resid 538 through 539 Processing sheet with id=DG2, first strand: chain '6' and resid 590 through 593 removed outlier: 4.128A pdb=" N GLY 6 575 " --> pdb=" O VAL 6 593 " (cutoff:3.500A) Processing sheet with id=DG3, first strand: chain '6' and resid 602 through 604 removed outlier: 3.690A pdb=" N MET 6 602 " --> pdb=" O PHE 7 626 " (cutoff:3.500A) Processing sheet with id=DG4, first strand: chain '6' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA 6 617 " --> pdb=" O LEU 6 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=DG4 Processing sheet with id=DG5, first strand: chain '7' and resid 226 through 228 removed outlier: 9.041A pdb=" N PHE 7 361 " --> pdb=" O THR 7 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR 7 240 " --> pdb=" O PHE 7 361 " (cutoff:3.500A) Processing sheet with id=DG6, first strand: chain '7' and resid 232 through 243 removed outlier: 6.884A pdb=" N TYR 7 671 " --> pdb=" O GLN 7 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN 7 310 " --> pdb=" O TYR 7 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR 7 673 " --> pdb=" O ASN 7 308 " (cutoff:3.500A) removed outlier: 6.497A pdb=" N ASN 7 308 " --> pdb=" O THR 7 673 " (cutoff:3.500A) removed outlier: 6.905A pdb=" N GLN 7 675 " --> pdb=" O ILE 7 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE 7 306 " --> pdb=" O GLN 7 675 " (cutoff:3.500A) removed outlier: 6.619A pdb=" N ALA 7 677 " --> pdb=" O VAL 7 304 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N VAL 7 304 " --> pdb=" O ALA 7 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN 7 679 " --> pdb=" O MET 7 302 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N MET 7 302 " --> pdb=" O GLN 7 679 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N GLU 7 681 " --> pdb=" O LYS 7 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY 7 296 " --> pdb=" O GLU 7 685 " (cutoff:3.500A) Processing sheet with id=DG7, first strand: chain '7' and resid 402 through 407 Processing sheet with id=DG8, first strand: chain '7' and resid 252 through 256 removed outlier: 4.564A pdb=" N TYR 7 366 " --> pdb=" O THR 7 268 " (cutoff:3.500A) Processing sheet with id=DG9, first strand: chain '7' and resid 252 through 256 removed outlier: 5.759A pdb=" N ASN 7 648 " --> pdb=" O PRO 7 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE 7 644 " --> pdb=" O PHE 7 273 " (cutoff:3.500A) Processing sheet with id=DH1, first strand: chain '7' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA 7 418 " --> pdb=" O ASN 7 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=DH1 Processing sheet with id=DH2, first strand: chain '7' and resid 476 through 477 Processing sheet with id=DH3, first strand: chain '7' and resid 482 through 483 Processing sheet with id=DH4, first strand: chain '7' and resid 538 through 539 Processing sheet with id=DH5, first strand: chain '7' and resid 616 through 618 removed outlier: 6.256A pdb=" N ALA 7 617 " --> pdb=" O LEU 7 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=DH5 Processing sheet with id=DH6, first strand: chain '8' and resid 226 through 228 removed outlier: 9.042A pdb=" N PHE 8 361 " --> pdb=" O THR 8 238 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N THR 8 240 " --> pdb=" O PHE 8 361 " (cutoff:3.500A) Processing sheet with id=DH7, first strand: chain '8' and resid 232 through 243 removed outlier: 6.883A pdb=" N TYR 8 671 " --> pdb=" O GLN 8 310 " (cutoff:3.500A) removed outlier: 7.077A pdb=" N GLN 8 310 " --> pdb=" O TYR 8 671 " (cutoff:3.500A) removed outlier: 6.052A pdb=" N THR 8 673 " --> pdb=" O ASN 8 308 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ASN 8 308 " --> pdb=" O THR 8 673 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N GLN 8 675 " --> pdb=" O ILE 8 306 " (cutoff:3.500A) removed outlier: 4.795A pdb=" N ILE 8 306 " --> pdb=" O GLN 8 675 " (cutoff:3.500A) removed outlier: 6.619A pdb=" N ALA 8 677 " --> pdb=" O VAL 8 304 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N VAL 8 304 " --> pdb=" O ALA 8 677 " (cutoff:3.500A) removed outlier: 6.543A pdb=" N GLN 8 679 " --> pdb=" O MET 8 302 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N MET 8 302 " --> pdb=" O GLN 8 679 " (cutoff:3.500A) removed outlier: 6.487A pdb=" N GLU 8 681 " --> pdb=" O LYS 8 300 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLY 8 296 " --> pdb=" O GLU 8 685 " (cutoff:3.500A) Processing sheet with id=DH8, first strand: chain '8' and resid 402 through 407 Processing sheet with id=DH9, first strand: chain '8' and resid 252 through 256 removed outlier: 4.565A pdb=" N TYR 8 366 " --> pdb=" O THR 8 268 " (cutoff:3.500A) Processing sheet with id=DI1, first strand: chain '8' and resid 252 through 256 removed outlier: 5.760A pdb=" N ASN 8 648 " --> pdb=" O PRO 8 269 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N ILE 8 644 " --> pdb=" O PHE 8 273 " (cutoff:3.500A) Processing sheet with id=DI2, first strand: chain '8' and resid 418 through 419 removed outlier: 5.860A pdb=" N ALA 8 418 " --> pdb=" O ASN 8 731 " (cutoff:3.500A) No H-bonds generated for sheet with id=DI2 Processing sheet with id=DI3, first strand: chain '8' and resid 476 through 477 Processing sheet with id=DI4, first strand: chain '8' and resid 482 through 483 Processing sheet with id=DI5, first strand: chain '8' and resid 538 through 539 Processing sheet with id=DI6, first strand: chain '8' and resid 616 through 618 removed outlier: 6.255A pdb=" N ALA 8 617 " --> pdb=" O LEU 8 637 " (cutoff:3.500A) No H-bonds generated for sheet with id=DI6 5760 hydrogen bonds defined for protein. 12960 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: 265.03 Time building geometry restraints manager: 77.23 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.20 - 1.32: 52326 1.32 - 1.44: 66691 1.44 - 1.56: 135683 1.56 - 1.68: 60 1.68 - 1.80: 1740 Bond restraints: 256500 Sorted by residual: bond pdb=" C CYS N 224 " pdb=" O CYS N 224 " ideal model delta sigma weight residual 1.235 1.204 0.032 1.26e-02 6.30e+03 6.30e+00 bond pdb=" C CYS 7 224 " pdb=" O CYS 7 224 " ideal model delta sigma weight residual 1.235 1.204 0.032 1.26e-02 6.30e+03 6.30e+00 bond pdb=" C CYS o 224 " pdb=" O CYS o 224 " ideal model delta sigma weight residual 1.235 1.204 0.031 1.26e-02 6.30e+03 6.15e+00 bond pdb=" C CYS M 224 " pdb=" O CYS M 224 " ideal model delta sigma weight residual 1.235 1.204 0.031 1.26e-02 6.30e+03 6.15e+00 bond pdb=" C CYS h 224 " pdb=" O CYS h 224 " ideal model delta sigma weight residual 1.235 1.204 0.031 1.26e-02 6.30e+03 6.15e+00 ... (remaining 256495 not shown) Histogram of bond angle deviations from ideal: 98.25 - 105.41: 8349 105.41 - 112.57: 130699 112.57 - 119.73: 79696 119.73 - 126.89: 126511 126.89 - 134.05: 5385 Bond angle restraints: 350640 Sorted by residual: angle pdb=" N TRP l 228 " pdb=" CA TRP l 228 " pdb=" C TRP l 228 " ideal model delta sigma weight residual 109.76 117.38 -7.62 1.64e+00 3.72e-01 2.16e+01 angle pdb=" N TRP 7 228 " pdb=" CA TRP 7 228 " pdb=" C TRP 7 228 " ideal model delta sigma weight residual 109.76 117.37 -7.61 1.64e+00 3.72e-01 2.16e+01 angle pdb=" N TRP u 228 " pdb=" CA TRP u 228 " pdb=" C TRP u 228 " ideal model delta sigma weight residual 109.76 117.37 -7.61 1.64e+00 3.72e-01 2.15e+01 angle pdb=" N TRP x 228 " pdb=" CA TRP x 228 " pdb=" C TRP x 228 " ideal model delta sigma weight residual 109.76 117.37 -7.61 1.64e+00 3.72e-01 2.15e+01 angle pdb=" N TRP Q 228 " pdb=" CA TRP Q 228 " pdb=" C TRP Q 228 " ideal model delta sigma weight residual 109.76 117.37 -7.61 1.64e+00 3.72e-01 2.15e+01 ... (remaining 350635 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 13.51: 139449 13.51 - 27.01: 7911 27.01 - 40.52: 1260 40.52 - 54.02: 180 54.02 - 67.53: 120 Dihedral angle restraints: 148920 sinusoidal: 58620 harmonic: 90300 Sorted by residual: dihedral pdb=" CA CYS J 476 " pdb=" C CYS J 476 " pdb=" N VAL J 477 " pdb=" CA VAL J 477 " ideal model delta harmonic sigma weight residual 180.00 153.82 26.18 0 5.00e+00 4.00e-02 2.74e+01 dihedral pdb=" CA CYS S 476 " pdb=" C CYS S 476 " pdb=" N VAL S 477 " pdb=" CA VAL S 477 " ideal model delta harmonic sigma weight residual 180.00 153.82 26.18 0 5.00e+00 4.00e-02 2.74e+01 dihedral pdb=" CA CYS 2 476 " pdb=" C CYS 2 476 " pdb=" N VAL 2 477 " pdb=" CA VAL 2 477 " ideal model delta harmonic sigma weight residual 180.00 153.82 26.18 0 5.00e+00 4.00e-02 2.74e+01 ... (remaining 148917 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.044: 23746 0.044 - 0.087: 9159 0.087 - 0.131: 3034 0.131 - 0.174: 607 0.174 - 0.218: 234 Chirality restraints: 36780 Sorted by residual: chirality pdb=" CA GLU l 389 " pdb=" N GLU l 389 " pdb=" C GLU l 389 " pdb=" CB GLU l 389 " both_signs ideal model delta sigma weight residual False 2.51 2.29 0.22 2.00e-01 2.50e+01 1.19e+00 chirality pdb=" CA GLU v 389 " pdb=" N GLU v 389 " pdb=" C GLU v 389 " pdb=" CB GLU v 389 " both_signs ideal model delta sigma weight residual False 2.51 2.29 0.22 2.00e-01 2.50e+01 1.18e+00 chirality pdb=" CA GLU F 389 " pdb=" N GLU F 389 " pdb=" C GLU F 389 " pdb=" CB GLU F 389 " both_signs ideal model delta sigma weight residual False 2.51 2.29 0.22 2.00e-01 2.50e+01 1.18e+00 ... (remaining 36777 not shown) Planarity restraints: 46200 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CA CYS 3 387 " 0.013 2.00e-02 2.50e+03 2.68e-02 7.18e+00 pdb=" C CYS 3 387 " -0.046 2.00e-02 2.50e+03 pdb=" O CYS 3 387 " 0.017 2.00e-02 2.50e+03 pdb=" N LEU 3 388 " 0.016 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CA CYS k 387 " -0.013 2.00e-02 2.50e+03 2.68e-02 7.17e+00 pdb=" C CYS k 387 " 0.046 2.00e-02 2.50e+03 pdb=" O CYS k 387 " -0.017 2.00e-02 2.50e+03 pdb=" N LEU k 388 " -0.016 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CA CYS j 387 " -0.013 2.00e-02 2.50e+03 2.67e-02 7.15e+00 pdb=" C CYS j 387 " 0.046 2.00e-02 2.50e+03 pdb=" O CYS j 387 " -0.017 2.00e-02 2.50e+03 pdb=" N LEU j 388 " -0.016 2.00e-02 2.50e+03 ... (remaining 46197 not shown) Histogram of nonbonded interaction distances: 1.75 - 2.38: 1324 2.38 - 3.01: 148893 3.01 - 3.64: 368898 3.64 - 4.27: 614634 4.27 - 4.90: 1048722 Nonbonded interactions: 2182471 Sorted by model distance: nonbonded pdb=" NH2 ARG j 285 " pdb=" OE2 GLU w 687 " model vdw 1.753 2.520 nonbonded pdb=" NH2 ARG Y 285 " pdb=" OE2 GLU Z 687 " model vdw 1.753 2.520 nonbonded pdb=" NH2 ARG N 285 " pdb=" OE2 GLU O 687 " model vdw 1.754 2.520 nonbonded pdb=" NH2 ARG 7 285 " pdb=" OE2 GLU 8 687 " model vdw 1.754 2.520 nonbonded pdb=" NH2 ARG i 285 " pdb=" OE2 GLU l 687 " model vdw 1.755 2.520 ... (remaining 2182466 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model Found NCS groups: ncs_group { reference = chain '1' selection = chain '2' selection = chain '3' selection = chain '4' selection = chain '5' selection = chain '6' selection = chain '7' selection = chain '8' 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' 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 Set scattering table Set to: electron Number of scattering types: 5 Type Number sf(0) Gaussians P 60 5.49 5 S 1020 5.16 5 C 157020 2.51 5 N 43020 2.21 5 O 47580 1.98 5 sf(0) = scattering factor at diffraction angle 0. 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: 7.480 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.020 Construct map_model_manager: 0.290 Extract box with map and model: 47.090 Check model and map are aligned: 2.400 Convert atoms to be neutral: 1.400 Process input model: 646.980 Find NCS groups from input model: 16.440 Set up NCS constraints: 5.790 Set refine NCS operators: 0.000 Set scattering table: 0.070 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.040 Load rotamer database and sin/cos tables:3.240 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 731.240 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8972 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 : 0.010 0.060 256500 Z= 0.685 Angle : 0.875 9.178 350640 Z= 0.489 Chirality : 0.054 0.218 36780 Planarity : 0.005 0.041 46200 Dihedral : 9.129 67.528 91200 Min Nonbonded Distance : 1.753 Molprobity Statistics. All-atom Clashscore : 15.38 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.70 % Favored : 97.30 % Rotamer Outliers : 0.67 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.70 % 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: -2.02 (0.04), residues: 31140 helix: -2.92 (0.13), residues: 600 sheet: -1.49 (0.04), residues: 8400 loop : -1.28 (0.03), residues: 22140 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 62280 Ramachandran restraints generated. 31140 Oldfield, 0 Emsley, 31140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 62280 Ramachandran restraints generated. 31140 Oldfield, 0 Emsley, 31140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 4969 residues out of total 26880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 180 poor density : 4789 time to evaluate : 18.613 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 180 outliers final: 0 residues processed: 4909 average time/residue: 1.9553 time to fit residues: 16807.2787 Evaluate side-chains 2987 residues out of total 26880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 2987 time to evaluate : 20.803 Switching outliers to nearest non-outliers outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 27.6579 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3120 random chunks: chunk 2634 optimal weight: 2.9990 chunk 2364 optimal weight: 0.9990 chunk 1312 optimal weight: 0.9990 chunk 807 optimal weight: 1.9990 chunk 1595 optimal weight: 3.9990 chunk 1263 optimal weight: 2.9990 chunk 2445 optimal weight: 6.9990 chunk 946 optimal weight: 2.9990 chunk 1486 optimal weight: 3.9990 chunk 1820 optimal weight: 10.0000 chunk 2833 optimal weight: 0.9990 overall best weight: 1.5990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 217 ASN A 281 HIS ** A 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 310 GLN ** A 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 332 GLN ** A 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 383 ASN A 400 ASN A 419 HIS A 421 GLN A 470 ASN A 621 HIS A 627 HIS A 643 GLN B 281 HIS ** B 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 310 GLN ** B 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 332 GLN B 376 ASN ** B 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 383 ASN B 400 ASN B 419 HIS B 421 GLN B 470 ASN B 621 HIS B 627 HIS B 643 GLN B 697 GLN C 281 HIS ** C 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 332 GLN ** C 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 383 ASN C 400 ASN C 421 GLN C 470 ASN C 536 GLN C 621 HIS C 627 HIS C 643 GLN D 217 ASN D 281 HIS ** D 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 332 GLN ** D 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 383 ASN D 400 ASN D 419 HIS D 421 GLN D 470 ASN D 536 GLN D 621 HIS D 627 HIS D 643 GLN E 217 ASN E 281 HIS ** E 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 332 GLN E 377 GLN ** E 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 383 ASN E 400 ASN E 419 HIS E 421 GLN E 470 ASN E 536 GLN E 621 HIS E 627 HIS F 217 ASN F 281 HIS ** F 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 310 GLN ** F 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 332 GLN ** F 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 383 ASN F 400 ASN F 421 GLN F 470 ASN F 621 HIS F 627 HIS F 643 GLN G 217 ASN G 281 HIS ** G 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 332 GLN G 377 GLN ** G 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 383 ASN G 400 ASN G 419 HIS G 421 GLN G 470 ASN G 621 HIS G 627 HIS G 679 GLN H 217 ASN H 281 HIS ** H 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 332 GLN ** H 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 383 ASN H 400 ASN H 419 HIS H 421 GLN H 470 ASN H 536 GLN H 621 HIS H 627 HIS H 643 GLN I 281 HIS ** I 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 332 GLN ** I 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 383 ASN I 400 ASN I 419 HIS I 421 GLN I 470 ASN I 536 GLN I 621 HIS I 627 HIS I 643 GLN J 281 HIS ** J 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 310 GLN ** J 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 332 GLN ** J 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 383 ASN J 400 ASN J 419 HIS J 421 GLN J 470 ASN J 621 HIS J 627 HIS J 643 GLN J 679 GLN J 697 GLN K 281 HIS ** K 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 332 GLN ** K 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 383 ASN K 400 ASN K 421 GLN K 470 ASN K 536 GLN K 621 HIS K 627 HIS K 643 GLN L 281 HIS ** L 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 310 GLN ** L 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 332 GLN L 376 ASN ** L 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 383 ASN L 400 ASN L 419 HIS L 421 GLN L 470 ASN L 621 HIS L 627 HIS L 643 GLN L 697 GLN M 217 ASN M 281 HIS ** M 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 332 GLN M 377 GLN ** M 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 383 ASN M 400 ASN M 419 HIS M 421 GLN M 470 ASN M 536 GLN M 621 HIS M 627 HIS M 679 GLN N 217 ASN N 281 HIS ** N 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 332 GLN ** N 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 383 ASN N 400 ASN N 419 HIS N 421 GLN N 470 ASN N 536 GLN N 621 HIS N 627 HIS N 643 GLN N 679 GLN O 217 ASN O 281 HIS ** O 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 332 GLN O 377 GLN ** O 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 383 ASN O 400 ASN O 419 HIS O 421 GLN O 470 ASN O 536 GLN O 621 HIS O 627 HIS P 217 ASN P 281 HIS ** P 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 332 GLN ** P 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 383 ASN P 400 ASN P 419 HIS P 421 GLN P 470 ASN P 536 GLN P 621 HIS P 627 HIS P 643 GLN P 679 GLN Q 281 HIS ** Q 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 332 GLN ** Q 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 383 ASN Q 400 ASN Q 419 HIS Q 421 GLN Q 470 ASN Q 536 GLN Q 621 HIS Q 627 HIS Q 643 GLN R 281 HIS ** R 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 310 GLN ** R 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 332 GLN ** R 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 383 ASN R 400 ASN R 419 HIS R 421 GLN R 470 ASN R 621 HIS R 627 HIS R 643 GLN R 697 GLN S 281 HIS ** S 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 310 GLN ** S 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 332 GLN ** S 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 383 ASN S 400 ASN S 419 HIS S 421 GLN S 470 ASN S 621 HIS S 627 HIS S 643 GLN S 697 GLN T 281 HIS ** T 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** T 332 GLN ** T 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 383 ASN T 400 ASN T 421 GLN T 470 ASN T 536 GLN T 621 HIS T 627 HIS T 643 GLN U 281 HIS ** U 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 310 GLN ** U 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 332 GLN ** U 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 383 ASN U 400 ASN U 419 HIS U 421 GLN U 470 ASN U 621 HIS U 627 HIS U 643 GLN U 679 GLN U 697 GLN V 281 HIS ** V 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** V 332 GLN ** V 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 383 ASN V 400 ASN V 421 GLN V 470 ASN V 536 GLN V 621 HIS V 627 HIS V 643 GLN W 217 ASN W 281 HIS ** W 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 332 GLN ** W 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 383 ASN W 400 ASN W 419 HIS W 421 GLN W 470 ASN W 536 GLN W 621 HIS W 627 HIS W 643 GLN W 679 GLN X 217 ASN X 281 HIS ** X 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 332 GLN X 377 GLN ** X 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 383 ASN X 400 ASN X 419 HIS X 421 GLN X 470 ASN X 536 GLN X 621 HIS X 627 HIS X 679 GLN Y 217 ASN Y 281 HIS ** Y 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 332 GLN ** Y 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 383 ASN Y 400 ASN Y 419 HIS Y 421 GLN Y 470 ASN Y 536 GLN Y 621 HIS Y 627 HIS Y 643 GLN Y 679 GLN Z 217 ASN Z 281 HIS ** Z 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 332 GLN Z 377 GLN ** Z 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 383 ASN Z 400 ASN Z 419 HIS Z 421 GLN Z 470 ASN Z 536 GLN Z 621 HIS Z 627 HIS a 217 ASN a 281 HIS ** a 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 310 GLN ** a 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 332 GLN ** a 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 383 ASN a 400 ASN a 419 HIS a 421 GLN a 470 ASN a 621 HIS a 627 HIS a 643 GLN a 679 GLN b 217 ASN b 281 HIS ** b 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 310 GLN ** b 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 332 GLN ** b 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 383 ASN b 400 ASN b 421 GLN b 470 ASN b 621 HIS b 627 HIS b 643 GLN c 217 ASN c 281 HIS ** c 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 308 ASN c 310 GLN ** c 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 332 GLN c 376 ASN ** c 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 383 ASN c 400 ASN c 419 HIS c 421 GLN c 470 ASN c 621 HIS c 627 HIS c 643 GLN c 675 GLN d 217 ASN d 281 HIS ** d 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 310 GLN ** d 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 332 GLN ** d 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 383 ASN d 400 ASN d 419 HIS d 421 GLN d 470 ASN d 621 HIS d 627 HIS d 643 GLN d 679 GLN e 217 ASN e 281 HIS ** e 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 308 ASN e 310 GLN ** e 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 332 GLN e 376 ASN ** e 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 383 ASN e 400 ASN e 421 GLN e 470 ASN e 621 HIS e 627 HIS e 643 GLN e 675 GLN f 217 ASN f 281 HIS ** f 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 310 GLN ** f 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 332 GLN ** f 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 383 ASN f 400 ASN f 419 HIS f 421 GLN f 470 ASN f 621 HIS f 627 HIS f 643 GLN g 281 HIS ** g 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 332 GLN ** g 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 383 ASN g 400 ASN g 419 HIS g 421 GLN g 470 ASN g 536 GLN g 621 HIS g 627 HIS g 643 GLN h 217 ASN h 281 HIS ** h 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 332 GLN h 377 GLN ** h 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 383 ASN h 400 ASN h 419 HIS h 421 GLN h 470 ASN h 536 GLN h 621 HIS h 627 HIS h 679 GLN i 217 ASN i 281 HIS ** i 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** i 332 GLN ** i 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 383 ASN i 400 ASN i 419 HIS i 421 GLN i 470 ASN i 536 GLN i 621 HIS i 627 HIS i 643 GLN i 679 GLN j 217 ASN j 281 HIS ** j 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 332 GLN ** j 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 383 ASN j 400 ASN j 419 HIS j 421 GLN j 470 ASN j 536 GLN j 621 HIS j 627 HIS j 643 GLN j 679 GLN k 217 ASN k 281 HIS ** k 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 332 GLN ** k 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 383 ASN k 400 ASN k 419 HIS k 421 GLN k 470 ASN k 536 GLN k 621 HIS k 627 HIS k 643 GLN l 217 ASN l 281 HIS ** l 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 332 GLN l 377 GLN ** l 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 383 ASN l 400 ASN l 419 HIS l 421 GLN l 470 ASN l 536 GLN l 621 HIS l 627 HIS m 281 HIS ** m 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 332 GLN ** m 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 383 ASN m 400 ASN m 421 GLN m 470 ASN m 536 GLN m 621 HIS m 627 HIS m 643 GLN n 217 ASN n 281 HIS ** n 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 310 GLN ** n 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 332 GLN ** n 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 383 ASN n 400 ASN n 421 GLN n 470 ASN n 621 HIS n 627 HIS n 643 GLN n 679 GLN o 217 ASN o 281 HIS ** o 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 332 GLN o 377 GLN ** o 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 383 ASN o 400 ASN o 419 HIS o 421 GLN o 470 ASN o 536 GLN o 621 HIS o 627 HIS p 281 HIS ** p 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 332 GLN ** p 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 383 ASN p 400 ASN p 419 HIS p 421 GLN p 470 ASN p 536 GLN p 621 HIS p 627 HIS p 643 GLN q 281 HIS ** q 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 310 GLN ** q 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 332 GLN ** q 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 383 ASN q 400 ASN q 419 HIS q 421 GLN q 470 ASN q 621 HIS q 627 HIS q 643 GLN q 697 GLN r 281 HIS ** r 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 310 GLN ** r 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 332 GLN ** r 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 383 ASN r 400 ASN r 419 HIS r 421 GLN r 470 ASN r 621 HIS r 627 HIS r 643 GLN r 697 GLN s 281 HIS ** s 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 310 GLN ** s 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 332 GLN ** s 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 383 ASN s 400 ASN s 419 HIS s 421 GLN s 470 ASN s 621 HIS s 627 HIS s 643 GLN s 697 GLN t 217 ASN t 281 HIS ** t 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** t 332 GLN t 377 GLN ** t 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 383 ASN t 400 ASN t 419 HIS t 421 GLN t 470 ASN t 536 GLN t 621 HIS t 627 HIS t 679 GLN u 281 HIS ** u 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 332 GLN ** u 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 383 ASN u 400 ASN u 421 GLN u 470 ASN u 536 GLN u 621 HIS u 627 HIS u 643 GLN v 217 ASN v 281 HIS ** v 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 310 GLN ** v 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 332 GLN ** v 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 383 ASN v 400 ASN v 421 GLN v 470 ASN v 621 HIS v 627 HIS v 643 GLN w 217 ASN w 281 HIS ** w 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 332 GLN w 377 GLN ** w 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 383 ASN w 400 ASN w 419 HIS w 421 GLN w 470 ASN w 536 GLN w 621 HIS w 627 HIS x 281 HIS ** x 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 332 GLN ** x 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 383 ASN x 400 ASN x 421 GLN x 470 ASN x 536 GLN x 621 HIS x 627 HIS x 643 GLN y 217 ASN y 281 HIS ** y 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 310 GLN ** y 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 332 GLN ** y 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 383 ASN y 400 ASN y 421 GLN y 470 ASN y 621 HIS y 627 HIS y 643 GLN z 281 HIS ** z 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 310 GLN ** z 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 332 GLN ** z 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 383 ASN z 400 ASN z 419 HIS z 421 GLN z 470 ASN z 621 HIS z 627 HIS z 643 GLN z 697 GLN 1 281 HIS ** 1 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 310 GLN ** 1 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 332 GLN 1 376 ASN ** 1 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 383 ASN 1 400 ASN 1 419 HIS 1 421 GLN 1 470 ASN 1 621 HIS 1 627 HIS 1 643 GLN 1 679 GLN 1 697 GLN 2 281 HIS 2 310 GLN ** 2 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 332 GLN ** 2 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 383 ASN 2 400 ASN 2 419 HIS 2 421 GLN 2 470 ASN 2 621 HIS 2 627 HIS 2 643 GLN 2 679 GLN 2 697 GLN 3 217 ASN 3 281 HIS ** 3 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 310 GLN ** 3 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 332 GLN ** 3 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 383 ASN 3 400 ASN 3 421 GLN 3 470 ASN 3 621 HIS 3 627 HIS 3 643 GLN 3 679 GLN 4 281 HIS 4 332 GLN ** 4 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 383 ASN 4 400 ASN 4 419 HIS 4 421 GLN 4 470 ASN 4 536 GLN 4 621 HIS 4 627 HIS 4 643 GLN 5 217 ASN 5 281 HIS ** 5 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 332 GLN ** 5 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 383 ASN 5 400 ASN 5 419 HIS 5 421 GLN 5 470 ASN 5 536 GLN 5 621 HIS 5 627 HIS 5 643 GLN 6 217 ASN 6 281 HIS ** 6 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 332 GLN ** 6 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 383 ASN 6 400 ASN 6 419 HIS 6 421 GLN 6 470 ASN 6 536 GLN 6 621 HIS 6 627 HIS 6 643 GLN 6 679 GLN 7 217 ASN 7 281 HIS ** 7 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 332 GLN ** 7 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 383 ASN 7 400 ASN 7 419 HIS 7 421 GLN 7 470 ASN 7 536 GLN 7 621 HIS 7 627 HIS 7 643 GLN 8 217 ASN 8 281 HIS ** 8 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 332 GLN 8 377 GLN ** 8 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 383 ASN 8 400 ASN 8 419 HIS 8 421 GLN 8 470 ASN 8 536 GLN 8 621 HIS 8 627 HIS Total number of N/Q/H flips: 722 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8919 moved from start: 0.1758 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.022 256500 Z= 0.194 Angle : 0.575 6.975 350640 Z= 0.299 Chirality : 0.043 0.155 36780 Planarity : 0.004 0.037 46200 Dihedral : 5.831 63.056 34320 Min Nonbonded Distance : 2.128 Molprobity Statistics. All-atom Clashscore : 9.70 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.56 % Favored : 98.44 % Rotamer Outliers : 1.03 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.70 % 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: -1.21 (0.04), residues: 31140 helix: -1.46 (0.13), residues: 960 sheet: -1.02 (0.04), residues: 9060 loop : -0.63 (0.04), residues: 21120 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 62280 Ramachandran restraints generated. 31140 Oldfield, 0 Emsley, 31140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 62280 Ramachandran restraints generated. 31140 Oldfield, 0 Emsley, 31140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 4038 residues out of total 26880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 276 poor density : 3762 time to evaluate : 18.980 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 outliers start: 276 outliers final: 133 residues processed: 3921 average time/residue: 2.1983 time to fit residues: 15714.1585 Evaluate side-chains 3148 residues out of total 26880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 133 poor density : 3015 time to evaluate : 18.749 Switching outliers to nearest non-outliers outliers start: 133 outliers final: 0 residues processed: 133 average time/residue: 1.7999 time to fit residues: 490.6090 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3120 random chunks: chunk 1574 optimal weight: 0.6980 chunk 879 optimal weight: 9.9990 chunk 2358 optimal weight: 10.0000 chunk 1929 optimal weight: 10.0000 chunk 781 optimal weight: 10.0000 chunk 2838 optimal weight: 3.9990 chunk 3066 optimal weight: 5.9990 chunk 2527 optimal weight: 20.0000 chunk 2814 optimal weight: 10.0000 chunk 967 optimal weight: 0.4980 chunk 2277 optimal weight: 7.9990 overall best weight: 3.8386 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 376 ASN ** A 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 605 GLN ** A 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 679 GLN ** B 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 419 HIS ** D 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 679 GLN ** E 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 332 GLN ** E 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 376 ASN F 419 HIS ** F 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 679 GLN ** G 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 332 GLN ** G 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 605 GLN H 679 GLN ** I 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 419 HIS ** L 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 605 GLN ** M 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 332 GLN ** M 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 605 GLN ** O 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 605 GLN ** Q 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 376 ASN ** R 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 376 ASN T 419 HIS ** U 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 376 ASN U 605 GLN ** V 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 419 HIS ** W 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 332 GLN ** X 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 605 GLN ** Z 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 332 GLN ** a 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 376 ASN a 605 GLN ** a 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 679 GLN b 376 ASN b 419 HIS ** b 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 679 GLN c 308 ASN ** c 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 332 GLN c 605 GLN ** c 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 675 GLN c 679 GLN ** d 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 376 ASN d 605 GLN ** d 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 679 GLN e 308 ASN ** e 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 332 GLN e 419 HIS ** e 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 675 GLN e 679 GLN f 376 ASN ** f 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 605 GLN ** f 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 679 GLN ** g 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 332 GLN ** h 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 605 GLN ** k 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 679 GLN ** l 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 419 HIS ** n 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 376 ASN n 419 HIS ** n 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 679 GLN ** o 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 376 ASN ** q 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 376 ASN ** s 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 376 ASN s 605 GLN ** t 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** t 332 GLN ** t 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 419 HIS ** v 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 376 ASN ** v 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 419 HIS ** v 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 679 GLN ** w 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 332 GLN ** w 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 419 HIS ** y 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 376 ASN y 419 HIS ** y 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 679 GLN ** z 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 376 ASN ** 1 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 605 GLN ** 3 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 376 ASN 3 419 HIS ** 3 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 679 GLN ** 5 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 605 GLN 5 679 GLN ** 6 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 605 GLN 7 679 GLN ** 8 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 332 GLN ** 8 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 79 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8980 moved from start: 0.1942 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 0.038 256500 Z= 0.362 Angle : 0.602 7.123 350640 Z= 0.312 Chirality : 0.044 0.157 36780 Planarity : 0.004 0.045 46200 Dihedral : 5.779 66.465 34320 Min Nonbonded Distance : 2.150 Molprobity Statistics. All-atom Clashscore : 8.58 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.74 % Favored : 98.26 % Rotamer Outliers : 2.38 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.70 % 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: -0.85 (0.04), residues: 31140 helix: -0.47 (0.15), residues: 960 sheet: -0.16 (0.05), residues: 7320 loop : -0.73 (0.04), residues: 22860 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 62280 Ramachandran restraints generated. 31140 Oldfield, 0 Emsley, 31140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 62280 Ramachandran restraints generated. 31140 Oldfield, 0 Emsley, 31140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3865 residues out of total 26880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 639 poor density : 3226 time to evaluate : 18.950 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 outliers start: 639 outliers final: 477 residues processed: 3608 average time/residue: 1.9882 time to fit residues: 12875.4160 Evaluate side-chains 3432 residues out of total 26880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 477 poor density : 2955 time to evaluate : 18.811 Switching outliers to nearest non-outliers outliers start: 477 outliers final: 0 residues processed: 477 average time/residue: 1.7219 time to fit residues: 1582.0704 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3120 random chunks: chunk 2804 optimal weight: 6.9990 chunk 2134 optimal weight: 0.9990 chunk 1473 optimal weight: 3.9990 chunk 314 optimal weight: 7.9990 chunk 1354 optimal weight: 10.0000 chunk 1905 optimal weight: 9.9990 chunk 2848 optimal weight: 3.9990 chunk 3015 optimal weight: 8.9990 chunk 1488 optimal weight: 6.9990 chunk 2699 optimal weight: 5.9990 chunk 812 optimal weight: 5.9990 overall best weight: 4.1990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 332 GLN A 643 GLN ** A 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 332 GLN ** B 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 332 GLN ** C 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 217 ASN ** D 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 332 GLN ** E 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 332 GLN F 643 GLN ** F 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 217 ASN ** H 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 332 GLN ** H 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 697 GLN I 332 GLN ** I 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 332 GLN ** J 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 332 GLN ** L 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 332 GLN ** L 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 217 ASN ** N 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 332 GLN ** N 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 697 GLN ** O 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 332 GLN ** O 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 217 ASN ** P 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 332 GLN ** P 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 332 GLN ** Q 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 332 GLN ** R 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 332 GLN ** S 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 332 GLN ** U 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 332 GLN ** U 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** V 332 GLN ** V 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 217 ASN ** W 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 332 GLN ** W 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 697 GLN ** X 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 217 ASN ** Y 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 332 GLN ** Z 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 332 GLN a 643 GLN ** a 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 332 GLN b 643 GLN ** b 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 643 GLN ** c 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 332 GLN d 643 GLN ** d 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 643 GLN ** e 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 332 GLN f 643 GLN ** f 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 332 GLN ** g 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 217 ASN i 332 GLN ** i 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 697 GLN j 217 ASN ** j 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 332 GLN ** j 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 217 ASN ** k 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 332 GLN ** k 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 332 GLN ** l 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 332 GLN ** m 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 332 GLN n 643 GLN ** n 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 332 GLN ** o 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 332 GLN ** p 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 332 GLN ** q 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 332 GLN ** r 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 332 GLN ** s 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 332 GLN ** u 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 332 GLN v 643 GLN ** v 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 332 GLN ** x 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 332 GLN y 643 GLN ** y 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 332 GLN ** z 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 332 GLN ** 1 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 332 GLN ** 2 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 332 GLN 3 643 GLN ** 3 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 332 GLN 5 217 ASN ** 5 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 332 GLN 6 217 ASN ** 6 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 332 GLN 7 217 ASN ** 7 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 332 GLN ** 8 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 77 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8994 moved from start: 0.2152 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.006 0.037 256500 Z= 0.385 Angle : 0.606 9.571 350640 Z= 0.311 Chirality : 0.045 0.155 36780 Planarity : 0.004 0.048 46200 Dihedral : 5.761 66.805 34320 Min Nonbonded Distance : 2.157 Molprobity Statistics. All-atom Clashscore : 8.55 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.19 % Favored : 97.81 % Rotamer Outliers : 1.26 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.70 % 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: -0.86 (0.04), residues: 31140 helix: -0.09 (0.16), residues: 960 sheet: -0.12 (0.05), residues: 7320 loop : -0.77 (0.04), residues: 22860 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 62280 Ramachandran restraints generated. 31140 Oldfield, 0 Emsley, 31140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 62280 Ramachandran restraints generated. 31140 Oldfield, 0 Emsley, 31140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3555 residues out of total 26880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 339 poor density : 3216 time to evaluate : 19.077 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 outliers start: 339 outliers final: 240 residues processed: 3480 average time/residue: 2.0823 time to fit residues: 13022.6428 Evaluate side-chains 3168 residues out of total 26880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 240 poor density : 2928 time to evaluate : 18.841 Switching outliers to nearest non-outliers outliers start: 240 outliers final: 0 residues processed: 240 average time/residue: 1.7402 time to fit residues: 831.3474 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3120 random chunks: chunk 2511 optimal weight: 8.9990 chunk 1711 optimal weight: 6.9990 chunk 43 optimal weight: 1.9990 chunk 2245 optimal weight: 4.9990 chunk 1244 optimal weight: 4.9990 chunk 2573 optimal weight: 9.9990 chunk 2084 optimal weight: 0.9990 chunk 3 optimal weight: 0.8980 chunk 1539 optimal weight: 10.0000 chunk 2706 optimal weight: 2.9990 chunk 761 optimal weight: 6.9990 overall best weight: 2.3788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 358 ASN ** B 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 308 ASN ** C 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 675 GLN D 217 ASN ** D 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 358 ASN ** D 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 217 ASN ** H 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 358 ASN I 308 ASN ** I 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 605 GLN ** I 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 675 GLN ** J 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 308 ASN ** K 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 675 GLN ** L 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 217 ASN N 308 ASN ** N 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 358 ASN ** N 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 217 ASN P 308 ASN ** P 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 358 ASN Q 308 ASN ** Q 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 675 GLN ** R 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 358 ASN ** S 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 308 ASN ** T 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 675 GLN ** U 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 308 ASN ** V 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 675 GLN W 217 ASN ** W 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 358 ASN ** X 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 217 ASN Y 308 ASN ** Y 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 358 ASN ** Y 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 376 ASN d 378 ASN ** d 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 308 ASN ** g 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 675 GLN h 325 ASN ** h 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 217 ASN i 308 ASN i 358 ASN ** i 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 217 ASN j 308 ASN ** j 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 358 ASN ** j 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 217 ASN ** k 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 358 ASN ** k 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 308 ASN ** m 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 675 GLN ** n 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 376 ASN n 378 ASN ** n 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 308 ASN ** p 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 675 GLN ** q 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 358 ASN ** r 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 308 ASN ** u 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 675 GLN ** v 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 308 ASN ** x 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 675 GLN ** y 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 358 ASN ** 2 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 308 ASN ** 4 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 675 GLN 5 217 ASN ** 5 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 358 ASN 6 217 ASN ** 6 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 358 ASN 7 217 ASN 7 308 ASN ** 7 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 358 ASN ** 7 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 64 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8966 moved from start: 0.2375 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.028 256500 Z= 0.235 Angle : 0.541 8.580 350640 Z= 0.274 Chirality : 0.042 0.145 36780 Planarity : 0.004 0.031 46200 Dihedral : 5.448 66.886 34320 Min Nonbonded Distance : 2.164 Molprobity Statistics. All-atom Clashscore : 7.90 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.33 % Favored : 97.67 % Rotamer Outliers : 1.23 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.70 % 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: -0.76 (0.04), residues: 31140 helix: 0.24 (0.16), residues: 960 sheet: -0.07 (0.05), residues: 7320 loop : -0.70 (0.04), residues: 22860 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 62280 Ramachandran restraints generated. 31140 Oldfield, 0 Emsley, 31140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 62280 Ramachandran restraints generated. 31140 Oldfield, 0 Emsley, 31140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3614 residues out of total 26880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 330 poor density : 3284 time to evaluate : 18.676 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 330 outliers final: 172 residues processed: 3475 average time/residue: 1.9283 time to fit residues: 11985.4012 Evaluate side-chains 3239 residues out of total 26880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 172 poor density : 3067 time to evaluate : 18.841 Switching outliers to nearest non-outliers outliers start: 172 outliers final: 0 residues processed: 172 average time/residue: 1.7275 time to fit residues: 579.4548 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3120 random chunks: chunk 1014 optimal weight: 3.9990 chunk 2715 optimal weight: 10.0000 chunk 596 optimal weight: 10.0000 chunk 1770 optimal weight: 2.9990 chunk 744 optimal weight: 10.0000 chunk 3018 optimal weight: 9.9990 chunk 2505 optimal weight: 6.9990 chunk 1397 optimal weight: 6.9990 chunk 250 optimal weight: 9.9990 chunk 998 optimal weight: 6.9990 chunk 1584 optimal weight: 9.9990 overall best weight: 5.5990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 217 ASN ** A 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 421 GLN ** A 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 358 ASN ** B 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 421 GLN ** B 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 308 ASN ** C 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 675 GLN D 217 ASN D 293 ASN ** D 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 421 GLN ** D 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 697 GLN ** E 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 378 ASN E 421 GLN ** E 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 217 ASN ** F 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 421 GLN ** F 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 378 ASN G 421 GLN ** G 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 217 ASN ** H 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 293 ASN ** H 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 421 GLN ** H 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 308 ASN ** I 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 675 GLN ** J 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 421 GLN ** J 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 308 ASN ** K 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 675 GLN ** L 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 421 GLN ** L 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 378 ASN M 421 GLN ** M 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 217 ASN N 293 ASN N 308 ASN ** N 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 421 GLN ** N 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 378 ASN O 421 GLN ** O 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 217 ASN ** P 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 293 ASN P 308 ASN ** P 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 421 GLN ** P 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 697 GLN ** Q 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 308 ASN ** Q 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 675 GLN ** R 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 421 GLN ** R 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 421 GLN ** S 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** T 308 ASN ** T 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 675 GLN ** U 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 421 GLN ** U 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** V 308 ASN ** V 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 675 GLN W 217 ASN ** W 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** W 293 ASN ** W 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 421 GLN ** W 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 378 ASN X 421 GLN ** X 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 217 ASN Y 293 ASN Y 308 ASN ** Y 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 421 GLN ** Y 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 697 GLN ** Z 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 378 ASN Z 421 GLN ** Z 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 217 ASN ** a 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 421 GLN ** a 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 217 ASN ** b 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** b 421 GLN ** b 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 217 ASN ** c 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 421 GLN ** c 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 217 ASN ** d 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 421 GLN ** d 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 217 ASN ** e 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 421 GLN ** e 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 217 ASN ** f 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 421 GLN ** f 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 308 ASN ** g 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 675 GLN ** h 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 378 ASN h 421 GLN ** h 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 217 ASN i 293 ASN i 308 ASN ** i 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** i 421 GLN ** i 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 217 ASN ** j 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** j 293 ASN j 308 ASN ** j 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 421 GLN ** j 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 697 GLN k 217 ASN k 293 ASN ** k 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 421 GLN ** k 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 697 GLN ** l 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 378 ASN l 421 GLN ** l 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 308 ASN ** m 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 675 GLN n 217 ASN ** n 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 421 GLN ** n 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 378 ASN o 421 GLN ** o 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 308 ASN ** p 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 675 GLN ** q 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 421 GLN ** q 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 358 ASN r 421 GLN ** r 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 421 GLN ** s 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** t 378 ASN t 421 GLN ** t 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 308 ASN ** u 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 675 GLN v 217 ASN ** v 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 421 GLN ** v 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 378 ASN w 421 GLN ** w 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 308 ASN ** x 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 383 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 675 GLN y 217 ASN ** y 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 421 GLN ** y 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 421 GLN ** z 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 421 GLN ** 1 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 358 ASN 2 421 GLN ** 2 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 217 ASN ** 3 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 421 GLN ** 3 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 308 ASN ** 4 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 675 GLN 5 217 ASN ** 5 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 5 293 ASN ** 5 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 421 GLN ** 5 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 697 GLN 6 217 ASN ** 6 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 6 293 ASN ** 6 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 421 GLN ** 6 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 697 GLN 7 217 ASN 7 293 ASN 7 308 ASN ** 7 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 421 GLN ** 7 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 697 GLN ** 8 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 378 ASN 8 421 GLN ** 8 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 137 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.9014 moved from start: 0.2380 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.008 0.046 256500 Z= 0.501 Angle : 0.637 7.720 350640 Z= 0.329 Chirality : 0.046 0.170 36780 Planarity : 0.005 0.063 46200 Dihedral : 5.837 66.730 34320 Min Nonbonded Distance : 2.150 Molprobity Statistics. All-atom Clashscore : 9.06 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.29 % Favored : 97.71 % Rotamer Outliers : 1.60 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.70 % 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: -0.98 (0.04), residues: 31140 helix: 0.09 (0.17), residues: 960 sheet: -0.16 (0.05), residues: 7320 loop : -0.89 (0.04), residues: 22860 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 62280 Ramachandran restraints generated. 31140 Oldfield, 0 Emsley, 31140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 62280 Ramachandran restraints generated. 31140 Oldfield, 0 Emsley, 31140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3315 residues out of total 26880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 431 poor density : 2884 time to evaluate : 19.337 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 431 outliers final: 257 residues processed: 3205 average time/residue: 2.0828 time to fit residues: 11892.9138 Evaluate side-chains 3072 residues out of total 26880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 257 poor density : 2815 time to evaluate : 18.994 Switching outliers to nearest non-outliers outliers start: 257 outliers final: 0 residues processed: 257 average time/residue: 1.7443 time to fit residues: 874.8148 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3120 random chunks: chunk 2910 optimal weight: 0.9980 chunk 340 optimal weight: 0.0070 chunk 1719 optimal weight: 0.8980 chunk 2204 optimal weight: 7.9990 chunk 1708 optimal weight: 6.9990 chunk 2541 optimal weight: 6.9990 chunk 1685 optimal weight: 1.9990 chunk 3007 optimal weight: 0.9990 chunk 1881 optimal weight: 3.9990 chunk 1833 optimal weight: 4.9990 chunk 1388 optimal weight: 7.9990 overall best weight: 0.9802 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 217 ASN ** A 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 358 ASN ** A 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 421 GLN ** B 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 358 ASN ** B 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 308 ASN ** C 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 675 GLN D 217 ASN D 308 ASN ** D 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 293 ASN ** E 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 421 GLN ** E 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 217 ASN ** F 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 421 GLN ** F 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 293 ASN ** G 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 421 GLN H 217 ASN H 308 ASN ** H 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 308 ASN ** I 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 675 GLN ** J 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 358 ASN ** J 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 308 ASN ** K 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 383 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 675 GLN ** L 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 358 ASN L 376 ASN L 378 ASN ** L 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 421 GLN N 217 ASN N 308 ASN ** N 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 217 ASN P 308 ASN ** P 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 308 ASN ** Q 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 675 GLN ** R 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 358 ASN R 376 ASN R 378 ASN ** R 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 376 ASN S 378 ASN ** S 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** T 308 ASN ** T 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 383 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** T 675 GLN ** U 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 358 ASN U 376 ASN U 378 ASN ** U 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** V 308 ASN ** V 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 675 GLN W 217 ASN ** W 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 376 ASN X 378 ASN ** X 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 421 GLN ** X 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 217 ASN Y 308 ASN ** Y 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 217 ASN ** a 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 358 ASN ** a 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 421 GLN ** a 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 217 ASN ** b 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 358 ASN ** b 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 421 GLN ** b 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 217 ASN ** c 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 358 ASN c 376 ASN c 378 ASN ** c 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 421 GLN ** c 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 217 ASN ** d 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 358 ASN d 376 ASN d 378 ASN ** d 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 421 GLN ** d 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 217 ASN ** e 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 358 ASN e 376 ASN e 378 ASN ** e 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 421 GLN f 217 ASN ** f 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 358 ASN ** f 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 421 GLN ** g 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 308 ASN ** g 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 675 GLN ** h 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 421 GLN i 217 ASN i 308 ASN ** i 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 217 ASN j 308 ASN ** j 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 217 ASN ** k 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 308 ASN ** m 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 383 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 675 GLN n 217 ASN ** n 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 358 ASN n 376 ASN n 378 ASN ** n 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 421 GLN ** n 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 376 ASN o 378 ASN ** o 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 421 GLN ** p 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 308 ASN ** p 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 675 GLN ** q 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 358 ASN q 376 ASN q 378 ASN ** q 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 358 ASN ** r 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 358 ASN ** s 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** t 376 ASN t 378 ASN ** t 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 421 GLN ** u 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 308 ASN ** u 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 675 GLN v 217 ASN ** v 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 358 ASN ** v 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 421 GLN ** v 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 421 GLN ** w 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 308 ASN ** x 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 383 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 675 GLN y 217 ASN ** y 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 421 GLN ** y 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 358 ASN z 376 ASN z 378 ASN ** z 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 358 ASN ** 1 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 358 ASN ** 2 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 217 ASN ** 3 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 358 ASN ** 3 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 421 GLN ** 4 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 308 ASN ** 4 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 383 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 675 GLN 5 217 ASN 5 308 ASN ** 5 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 217 ASN ** 6 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 217 ASN 7 308 ASN ** 7 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 293 ASN ** 8 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 127 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8937 moved from start: 0.2690 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.002 0.025 256500 Z= 0.138 Angle : 0.506 9.804 350640 Z= 0.254 Chirality : 0.041 0.188 36780 Planarity : 0.004 0.031 46200 Dihedral : 5.195 66.890 34320 Min Nonbonded Distance : 2.183 Molprobity Statistics. All-atom Clashscore : 8.22 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.17 % Favored : 97.83 % Rotamer Outliers : 0.67 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.70 % 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: -0.72 (0.04), residues: 31140 helix: 0.51 (0.16), residues: 960 sheet: -0.05 (0.05), residues: 7320 loop : -0.68 (0.04), residues: 22860 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 62280 Ramachandran restraints generated. 31140 Oldfield, 0 Emsley, 31140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 62280 Ramachandran restraints generated. 31140 Oldfield, 0 Emsley, 31140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3603 residues out of total 26880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 181 poor density : 3422 time to evaluate : 19.140 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 181 outliers final: 52 residues processed: 3531 average time/residue: 1.9631 time to fit residues: 12350.3418 Evaluate side-chains 3166 residues out of total 26880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 52 poor density : 3114 time to evaluate : 18.612 Switching outliers to nearest non-outliers outliers start: 52 outliers final: 0 residues processed: 52 average time/residue: 1.8690 time to fit residues: 199.7246 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3120 random chunks: chunk 1860 optimal weight: 3.9990 chunk 1200 optimal weight: 5.9990 chunk 1796 optimal weight: 20.0000 chunk 905 optimal weight: 9.9990 chunk 590 optimal weight: 9.9990 chunk 582 optimal weight: 5.9990 chunk 1911 optimal weight: 8.9990 chunk 2048 optimal weight: 6.9990 chunk 1486 optimal weight: 1.9990 chunk 280 optimal weight: 4.9990 chunk 2363 optimal weight: 6.9990 overall best weight: 4.5990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 217 ASN ** A 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 358 ASN ** A 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 421 GLN ** A 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 217 ASN ** B 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 293 ASN ** B 308 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 308 ASN ** C 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 675 GLN D 217 ASN ** D 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 308 ASN ** D 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 217 ASN ** F 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 421 GLN ** F 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 421 GLN ** G 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 217 ASN ** H 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** I 308 ASN ** I 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 675 GLN J 217 ASN J 293 ASN ** J 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** K 308 ASN ** K 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 675 GLN L 217 ASN ** L 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 293 ASN ** L 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 421 GLN ** M 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 217 ASN ** N 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 217 ASN ** P 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 308 ASN ** P 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Q 308 ASN ** Q 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 675 GLN R 217 ASN ** R 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** R 293 ASN ** R 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 376 ASN R 378 ASN ** R 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 217 ASN ** S 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** S 293 ASN ** S 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 376 ASN S 378 ASN ** S 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** T 308 ASN ** T 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 675 GLN U 217 ASN U 293 ASN ** U 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 376 ASN U 378 ASN ** U 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** V 308 ASN ** V 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 675 GLN W 217 ASN ** W 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 376 ASN X 378 ASN X 421 GLN ** X 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 217 ASN ** Y 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Y 308 ASN ** Y 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 217 ASN ** a 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 358 ASN ** a 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 421 GLN ** a 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 217 ASN ** b 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 358 ASN b 376 ASN b 378 ASN b 421 GLN ** b 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 217 ASN ** c 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 358 ASN ** c 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 421 GLN ** c 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 217 ASN ** d 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 358 ASN d 376 ASN d 378 ASN ** d 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 421 GLN ** d 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 217 ASN ** e 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 358 ASN e 421 GLN ** e 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 217 ASN ** f 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 358 ASN f 376 ASN f 378 ASN f 421 GLN ** f 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 421 GLN ** h 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 217 ASN ** i 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** i 308 ASN ** i 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 217 ASN ** j 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 217 ASN ** k 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** m 308 ASN ** m 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 675 GLN n 217 ASN ** n 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 358 ASN n 376 ASN n 378 ASN ** n 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 421 GLN ** n 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 376 ASN o 378 ASN o 421 GLN ** o 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** p 308 ASN ** p 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 675 GLN q 217 ASN ** q 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** q 293 ASN ** q 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 376 ASN q 378 ASN r 217 ASN ** r 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** r 293 ASN ** r 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 217 ASN s 293 ASN ** s 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** t 376 ASN t 378 ASN t 421 GLN ** t 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** u 308 ASN ** u 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 675 GLN v 217 ASN ** v 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 358 ASN ** v 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 421 GLN ** v 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** x 308 ASN ** x 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 675 GLN y 217 ASN ** y 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 421 GLN ** y 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 217 ASN ** z 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** z 293 ASN ** z 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 376 ASN z 378 ASN ** z 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 217 ASN ** 1 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 1 293 ASN ** 1 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 217 ASN 2 293 ASN ** 2 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 217 ASN ** 3 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 358 ASN ** 3 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 421 GLN ** 3 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 4 308 ASN ** 4 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 675 GLN 5 217 ASN ** 5 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 5 308 ASN ** 5 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 217 ASN ** 6 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 217 ASN ** 7 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 7 308 ASN ** 7 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 128 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.9001 moved from start: 0.2551 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.006 0.046 256500 Z= 0.418 Angle : 0.607 9.526 350640 Z= 0.311 Chirality : 0.045 0.164 36780 Planarity : 0.005 0.054 46200 Dihedral : 5.620 66.913 34320 Min Nonbonded Distance : 2.114 Molprobity Statistics. All-atom Clashscore : 8.93 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.04 % Favored : 97.96 % Rotamer Outliers : 1.01 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.70 % 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: -0.88 (0.04), residues: 31140 helix: 0.28 (0.16), residues: 960 sheet: -0.25 (0.05), residues: 7980 loop : -0.77 (0.04), residues: 22200 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 62280 Ramachandran restraints generated. 31140 Oldfield, 0 Emsley, 31140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 62280 Ramachandran restraints generated. 31140 Oldfield, 0 Emsley, 31140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3300 residues out of total 26880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 271 poor density : 3029 time to evaluate : 19.122 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 271 outliers final: 147 residues processed: 3225 average time/residue: 2.1076 time to fit residues: 12012.1557 Evaluate side-chains 3153 residues out of total 26880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 147 poor density : 3006 time to evaluate : 19.025 Switching outliers to nearest non-outliers outliers start: 147 outliers final: 0 residues processed: 147 average time/residue: 1.8077 time to fit residues: 520.8382 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3120 random chunks: chunk 2735 optimal weight: 8.9990 chunk 2880 optimal weight: 5.9990 chunk 2628 optimal weight: 4.9990 chunk 2802 optimal weight: 7.9990 chunk 1686 optimal weight: 2.9990 chunk 1220 optimal weight: 9.9990 chunk 2200 optimal weight: 7.9990 chunk 859 optimal weight: 8.9990 chunk 2532 optimal weight: 10.0000 chunk 2650 optimal weight: 0.7980 chunk 2792 optimal weight: 9.9990 overall best weight: 4.5588 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 217 ASN ** A 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 217 ASN D 293 ASN D 308 ASN ** D 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 217 ASN ** F 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 217 ASN ** H 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 308 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 308 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 293 ASN ** M 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 217 ASN N 293 ASN ** N 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 293 ASN ** O 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 217 ASN ** P 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 308 ASN ** P 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 308 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 308 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** T 308 ASN ** T 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 675 GLN ** U 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** V 308 ASN ** V 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 675 GLN W 217 ASN W 293 ASN ** W 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 293 ASN ** X 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 217 ASN ** Y 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 308 ASN ** Y 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 217 ASN ** a 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 376 ASN a 378 ASN ** a 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 217 ASN ** b 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 217 ASN ** c 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 217 ASN ** d 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 217 ASN ** e 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 217 ASN ** f 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 308 ASN ** g 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 675 GLN ** h 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 217 ASN i 293 ASN i 308 ASN ** i 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 217 ASN ** j 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 217 ASN ** k 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 308 ASN ** k 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 293 ASN ** l 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 308 ASN ** m 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 675 GLN n 217 ASN ** n 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 308 ASN ** p 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 675 GLN ** q 308 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 308 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 308 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 217 ASN ** v 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 217 ASN ** y 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 376 ASN y 378 ASN ** y 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 308 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 308 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 308 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 217 ASN ** 3 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 376 ASN 3 378 ASN ** 3 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 217 ASN ** 5 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 308 ASN ** 5 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 217 ASN ** 6 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 217 ASN 7 308 ASN ** 7 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 55 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.9003 moved from start: 0.2587 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.006 0.044 256500 Z= 0.415 Angle : 0.607 9.233 350640 Z= 0.311 Chirality : 0.045 0.160 36780 Planarity : 0.004 0.052 46200 Dihedral : 5.687 67.093 34320 Min Nonbonded Distance : 2.104 Molprobity Statistics. All-atom Clashscore : 9.23 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.42 % Favored : 97.58 % Rotamer Outliers : 0.52 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.70 % 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: -1.00 (0.04), residues: 31140 helix: 0.19 (0.16), residues: 960 sheet: -0.23 (0.05), residues: 7320 loop : -0.88 (0.04), residues: 22860 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 62280 Ramachandran restraints generated. 31140 Oldfield, 0 Emsley, 31140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 62280 Ramachandran restraints generated. 31140 Oldfield, 0 Emsley, 31140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3226 residues out of total 26880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 140 poor density : 3086 time to evaluate : 18.864 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 140 outliers final: 86 residues processed: 3160 average time/residue: 1.9732 time to fit residues: 11043.9811 Evaluate side-chains 3083 residues out of total 26880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 86 poor density : 2997 time to evaluate : 19.147 Switching outliers to nearest non-outliers outliers start: 86 outliers final: 0 residues processed: 86 average time/residue: 1.7631 time to fit residues: 315.4277 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3120 random chunks: chunk 1840 optimal weight: 0.5980 chunk 2963 optimal weight: 10.0000 chunk 1808 optimal weight: 1.9990 chunk 1405 optimal weight: 2.9990 chunk 2059 optimal weight: 20.0000 chunk 3108 optimal weight: 6.9990 chunk 2860 optimal weight: 9.9990 chunk 2475 optimal weight: 20.0000 chunk 257 optimal weight: 4.9990 chunk 1911 optimal weight: 8.9990 chunk 1517 optimal weight: 1.9990 overall best weight: 2.5188 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 217 ASN ** A 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 376 ASN A 378 ASN ** A 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 308 ASN ** C 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 675 GLN D 217 ASN D 293 ASN D 308 ASN ** D 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 217 ASN ** F 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 376 ASN F 378 ASN ** F 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 217 ASN ** H 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 308 ASN ** I 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 675 GLN ** J 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** K 308 ASN ** K 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 675 GLN ** L 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 293 ASN ** M 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 217 ASN ** N 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 217 ASN ** P 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 308 ASN ** Q 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 675 GLN ** R 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** T 308 ASN ** T 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 675 GLN ** U 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** V 308 ASN ** V 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 675 GLN W 217 ASN W 293 ASN W 308 ASN ** W 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 217 ASN ** Y 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 217 ASN ** a 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 376 ASN a 378 ASN ** a 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 217 ASN ** b 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 376 ASN b 378 ASN ** b 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 217 ASN ** c 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 376 ASN c 378 ASN d 217 ASN ** d 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 376 ASN d 378 ASN ** d 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 217 ASN ** e 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 376 ASN e 378 ASN ** e 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 217 ASN ** f 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 376 ASN f 378 ASN ** f 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 308 ASN ** g 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 675 GLN ** h 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 217 ASN ** i 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 217 ASN ** j 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 217 ASN ** k 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 308 ASN ** k 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 308 ASN ** m 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 675 GLN n 217 ASN ** n 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 376 ASN n 378 ASN ** n 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** p 308 ASN ** p 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 675 GLN ** q 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** t 376 ASN t 378 ASN ** t 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 308 ASN ** u 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 675 GLN v 217 ASN ** v 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 376 ASN v 378 ASN ** v 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 421 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 308 ASN ** x 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 675 GLN y 217 ASN ** y 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 376 ASN y 378 ASN ** y 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 217 ASN ** 3 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 279 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 308 ASN ** 4 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 358 ASN ** 4 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 675 GLN 5 217 ASN ** 5 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 217 ASN ** 6 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 308 ASN ** 6 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 217 ASN 7 308 ASN ** 7 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 81 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8975 moved from start: 0.2704 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.033 256500 Z= 0.249 Angle : 0.551 10.457 350640 Z= 0.279 Chirality : 0.042 0.147 36780 Planarity : 0.004 0.032 46200 Dihedral : 5.437 67.335 34320 Min Nonbonded Distance : 2.160 Molprobity Statistics. All-atom Clashscore : 8.80 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.67 % Favored : 97.33 % Rotamer Outliers : 0.23 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.70 % 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: -0.86 (0.04), residues: 31140 helix: 0.36 (0.16), residues: 960 sheet: -0.16 (0.05), residues: 7320 loop : -0.78 (0.04), residues: 22860 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 62280 Ramachandran restraints generated. 31140 Oldfield, 0 Emsley, 31140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 62280 Ramachandran restraints generated. 31140 Oldfield, 0 Emsley, 31140 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3187 residues out of total 26880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 62 poor density : 3125 time to evaluate : 19.811 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 62 outliers final: 34 residues processed: 3151 average time/residue: 1.9750 time to fit residues: 11024.0335 Evaluate side-chains 3038 residues out of total 26880 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 34 poor density : 3004 time to evaluate : 18.689 Switching outliers to nearest non-outliers outliers start: 34 outliers final: 0 residues processed: 34 average time/residue: 1.8439 time to fit residues: 137.4640 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3120 random chunks: chunk 1966 optimal weight: 0.6980 chunk 2636 optimal weight: 8.9990 chunk 758 optimal weight: 10.0000 chunk 2282 optimal weight: 6.9990 chunk 365 optimal weight: 9.9990 chunk 687 optimal weight: 10.0000 chunk 2479 optimal weight: 0.4980 chunk 1037 optimal weight: 10.0000 chunk 2545 optimal weight: 0.9980 chunk 313 optimal weight: 0.9980 chunk 456 optimal weight: 0.8980 overall best weight: 0.8180 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 217 ASN ** A 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 358 ASN A 376 ASN A 378 ASN ** A 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 217 ASN ** B 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 217 ASN D 293 ASN ** D 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 217 ASN ** F 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 358 ASN F 376 ASN F 378 ASN ** F 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 293 ASN ** G 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 376 ASN G 378 ASN ** G 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 217 ASN H 293 ASN ** H 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 217 ASN ** J 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 217 ASN ** L 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 376 ASN L 378 ASN ** L 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 376 ASN M 378 ASN ** M 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 217 ASN ** N 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 217 ASN ** P 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 308 ASN ** P 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 217 ASN ** R 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 217 ASN ** S 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** T 308 ASN ** T 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 675 GLN U 217 ASN ** U 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 308 ASN ** V 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 675 GLN W 217 ASN W 308 ASN ** W 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 376 ASN X 378 ASN ** X 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 627 HIS Y 217 ASN Y 293 ASN Y 308 ASN ** Y 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 293 ASN ** Z 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 217 ASN ** a 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 217 ASN ** b 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 358 ASN c 217 ASN ** c 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 358 ASN ** c 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 217 ASN ** d 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 670 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 217 ASN ** e 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 358 ASN ** e 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 217 ASN ** f 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 358 ASN ** f 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 293 ASN ** h 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 627 HIS i 217 ASN i 308 ASN ** i 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 217 ASN ** j 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 217 ASN k 293 ASN ** k 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 308 ASN ** m 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 675 GLN n 217 ASN ** n 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 358 ASN ** n 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 376 ASN o 378 ASN ** o 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 308 ASN ** p 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 675 GLN q 217 ASN ** q 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 217 ASN ** r 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 217 ASN ** s 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 293 ASN ** t 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** t 376 ASN t 378 ASN ** t 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 217 ASN ** v 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 358 ASN v 376 ASN v 378 ASN ** v 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 376 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 378 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 480 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 217 ASN ** y 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 217 ASN ** z 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 217 ASN ** 1 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 217 ASN ** 2 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 217 ASN ** 3 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 358 ASN 3 376 ASN 3 378 ASN ** 3 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 294 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 217 ASN 5 293 ASN 5 308 ASN ** 5 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 217 ASN ** 6 293 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 308 ASN ** 6 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 217 ASN ** 7 308 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 325 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 326 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 379 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 90 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3148 r_free = 0.3148 target = 0.103966 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 34)----------------| | r_work = 0.2904 r_free = 0.2904 target = 0.088267 restraints weight = 378717.528| |-----------------------------------------------------------------------------| r_work (start): 0.2900 rms_B_bonded: 2.02 r_work: 0.2888 rms_B_bonded: 1.85 restraints_weight: 0.5000 r_work: 0.2877 rms_B_bonded: 1.82 restraints_weight: 0.2500 r_work: 0.2866 rms_B_bonded: 1.84 restraints_weight: 0.1250 r_work: 0.2855 rms_B_bonded: 1.90 restraints_weight: 0.0625 r_work: 0.2843 rms_B_bonded: 2.00 restraints_weight: 0.0312 r_work: 0.2830 rms_B_bonded: 2.12 restraints_weight: 0.0156 r_work: 0.2816 rms_B_bonded: 2.27 restraints_weight: 0.0078 r_work: 0.2802 rms_B_bonded: 2.44 restraints_weight: 0.0039 r_work: 0.2786 rms_B_bonded: 2.64 restraints_weight: 0.0020 r_work: 0.2770 rms_B_bonded: 2.87 restraints_weight: 0.0010 r_work: 0.2752 rms_B_bonded: 3.13 restraints_weight: 0.0005 r_work: 0.2734 rms_B_bonded: 3.42 restraints_weight: 0.0002 r_work: 0.2713 rms_B_bonded: 3.75 restraints_weight: 0.0001 r_work: 0.2692 rms_B_bonded: 4.11 restraints_weight: 0.0001 r_work: 0.2668 rms_B_bonded: 4.53 restraints_weight: 0.0000 r_work: 0.2643 rms_B_bonded: 4.99 restraints_weight: 0.0000 r_work (final): 0.2643 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.9090 moved from start: 0.2968 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.002 0.036 256500 Z= 0.131 Angle : 0.502 11.637 350640 Z= 0.250 Chirality : 0.041 0.190 36780 Planarity : 0.004 0.032 46200 Dihedral : 4.996 67.458 34320 Min Nonbonded Distance : 2.163 Molprobity Statistics. All-atom Clashscore : 8.24 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.71 % Favored : 97.29 % Rotamer Outliers : 0.11 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.70 % 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: -0.64 (0.04), residues: 31140 helix: 0.76 (0.16), residues: 960 sheet: -0.04 (0.05), residues: 7320 loop : -0.62 (0.04), residues: 22860 =============================================================================== Job complete usr+sys time: 149289.74 seconds wall clock time: 2554 minutes 48.19 seconds (153288.19 seconds total)