Starting phenix.real_space_refine on Mon Mar 4 01:45:25 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6wh3_21667/03_2024/6wh3_21667.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6wh3_21667/03_2024/6wh3_21667.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=2.96 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6wh3_21667/03_2024/6wh3_21667.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6wh3_21667/03_2024/6wh3_21667.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6wh3_21667/03_2024/6wh3_21667.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6wh3_21667/03_2024/6wh3_21667.pdb" } resolution = 2.96 write_initial_geo_file = False refinement { macro_cycles = 10 } qi { qm_restraints { package { program = *test } } } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs ------------------------------------------------------------------------------- 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 Set scattering table Set to: electron Number of scattering types: 5 Type Number sf(0) Gaussians Ca 60 9.91 5 S 840 5.16 5 C 99540 2.51 5 N 27180 2.21 5 O 30120 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped None Time to flip residues: 0.31s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5238/modules/chem_data/mon_lib" Total number of atoms: 157740 Number of models: 1 Model: "" Number of chains: 120 Chain: "A" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "B" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "C" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "D" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "E" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "F" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "G" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "H" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "I" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "J" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "K" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "L" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "M" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "N" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "O" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "P" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "Q" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "R" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "S" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "T" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "U" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "V" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "W" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "X" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "Y" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "Z" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "8" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "7" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "6" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "5" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "4" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "3" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "a" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "b" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "c" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "d" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "e" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "f" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "g" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "h" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "i" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "j" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "k" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "l" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "m" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "n" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "o" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "p" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "q" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "r" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "s" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "t" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "u" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "v" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "w" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "x" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "y" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "z" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "1" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "2" Number of atoms: 2628 Number of conformers: 1 Conformer: "" Number of residues, atoms: 334, 2628 Classifications: {'peptide': 334} Link IDs: {'PTRANS': 15, 'TRANS': 318} Chain: "A" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "B" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "C" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "D" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "E" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "F" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "G" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "H" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "I" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "J" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "K" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "L" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "M" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "N" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "O" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "P" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "Q" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "R" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "S" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "T" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "U" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "V" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "W" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "X" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "Y" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "Z" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "8" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "7" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "6" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "5" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "4" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "3" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "a" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "b" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "c" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "d" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "e" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "f" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "g" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "h" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "i" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "j" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "k" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "l" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "m" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "n" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "o" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "p" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "q" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "r" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "s" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "t" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "u" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "v" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "w" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "x" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "y" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "z" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "1" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Chain: "2" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' CA': 1} Classifications: {'undetermined': 1} Time building chain proxies: 60.98, per 1000 atoms: 0.39 Number of scatterers: 157740 At special positions: 0 Unit cell: (245.532, 245.532, 245.532, 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) Ca 60 19.99 S 840 16.00 O 30120 8.00 N 27180 7.00 C 99540 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: 51.19 Conformation dependent library (CDL) restraints added in 21.9 seconds 39840 Ramachandran restraints generated. 19920 Oldfield, 0 Emsley, 19920 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 36720 Finding SS restraints... Secondary structure from input PDB file: 480 helices and 360 sheets defined 15.3% alpha, 35.3% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 14.72 Creating SS restraints... Processing helix chain 'A' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER A 56 " --> pdb=" O TYR A 52 " (cutoff:3.500A) Processing helix chain 'A' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR A 91 " --> pdb=" O VAL A 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS A 92 " --> pdb=" O MET A 88 " (cutoff:3.500A) Processing helix chain 'A' and resid 98 through 102 Processing helix chain 'A' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU A 114 " --> pdb=" O TYR A 110 " (cutoff:3.500A) Processing helix chain 'A' and resid 200 through 205 removed outlier: 3.860A pdb=" N ILE A 204 " --> pdb=" O ILE A 200 " (cutoff:3.500A) Processing helix chain 'A' and resid 307 through 310 Processing helix chain 'A' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR A 316 " --> pdb=" O ASN A 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN A 317 " --> pdb=" O SER A 313 " (cutoff:3.500A) Processing helix chain 'A' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP A 326 " --> pdb=" O ASN A 322 " (cutoff:3.500A) Processing helix chain 'B' and resid 52 through 57 removed outlier: 3.799A pdb=" N SER B 56 " --> pdb=" O TYR B 52 " (cutoff:3.500A) Processing helix chain 'B' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR B 91 " --> pdb=" O VAL B 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS B 92 " --> pdb=" O MET B 88 " (cutoff:3.500A) Processing helix chain 'B' and resid 98 through 102 Processing helix chain 'B' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU B 114 " --> pdb=" O TYR B 110 " (cutoff:3.500A) Processing helix chain 'B' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE B 204 " --> pdb=" O ILE B 200 " (cutoff:3.500A) Processing helix chain 'B' and resid 307 through 310 Processing helix chain 'B' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR B 316 " --> pdb=" O ASN B 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN B 317 " --> pdb=" O SER B 313 " (cutoff:3.500A) Processing helix chain 'B' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP B 326 " --> pdb=" O ASN B 322 " (cutoff:3.500A) Processing helix chain 'C' and resid 52 through 57 removed outlier: 3.799A pdb=" N SER C 56 " --> pdb=" O TYR C 52 " (cutoff:3.500A) Processing helix chain 'C' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR C 91 " --> pdb=" O VAL C 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS C 92 " --> pdb=" O MET C 88 " (cutoff:3.500A) Processing helix chain 'C' and resid 98 through 102 Processing helix chain 'C' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU C 114 " --> pdb=" O TYR C 110 " (cutoff:3.500A) Processing helix chain 'C' and resid 200 through 205 removed outlier: 3.860A pdb=" N ILE C 204 " --> pdb=" O ILE C 200 " (cutoff:3.500A) Processing helix chain 'C' and resid 307 through 310 Processing helix chain 'C' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR C 316 " --> pdb=" O ASN C 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN C 317 " --> pdb=" O SER C 313 " (cutoff:3.500A) Processing helix chain 'C' and resid 322 through 327 removed outlier: 3.592A pdb=" N TRP C 326 " --> pdb=" O ASN C 322 " (cutoff:3.500A) Processing helix chain 'D' and resid 52 through 57 removed outlier: 3.799A pdb=" N SER D 56 " --> pdb=" O TYR D 52 " (cutoff:3.500A) Processing helix chain 'D' and resid 87 through 93 removed outlier: 4.296A pdb=" N TYR D 91 " --> pdb=" O VAL D 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS D 92 " --> pdb=" O MET D 88 " (cutoff:3.500A) Processing helix chain 'D' and resid 98 through 102 Processing helix chain 'D' and resid 107 through 114 removed outlier: 3.571A pdb=" N LEU D 114 " --> pdb=" O TYR D 110 " (cutoff:3.500A) Processing helix chain 'D' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE D 204 " --> pdb=" O ILE D 200 " (cutoff:3.500A) Processing helix chain 'D' and resid 307 through 310 Processing helix chain 'D' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR D 316 " --> pdb=" O ASN D 312 " (cutoff:3.500A) removed outlier: 5.339A pdb=" N ASN D 317 " --> pdb=" O SER D 313 " (cutoff:3.500A) Processing helix chain 'D' and resid 322 through 327 removed outlier: 3.592A pdb=" N TRP D 326 " --> pdb=" O ASN D 322 " (cutoff:3.500A) Processing helix chain 'E' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER E 56 " --> pdb=" O TYR E 52 " (cutoff:3.500A) Processing helix chain 'E' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR E 91 " --> pdb=" O VAL E 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS E 92 " --> pdb=" O MET E 88 " (cutoff:3.500A) Processing helix chain 'E' and resid 98 through 102 Processing helix chain 'E' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU E 114 " --> pdb=" O TYR E 110 " (cutoff:3.500A) Processing helix chain 'E' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE E 204 " --> pdb=" O ILE E 200 " (cutoff:3.500A) Processing helix chain 'E' and resid 307 through 310 Processing helix chain 'E' and resid 311 through 319 removed outlier: 4.103A pdb=" N THR E 316 " --> pdb=" O ASN E 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN E 317 " --> pdb=" O SER E 313 " (cutoff:3.500A) Processing helix chain 'E' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP E 326 " --> pdb=" O ASN E 322 " (cutoff:3.500A) Processing helix chain 'F' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER F 56 " --> pdb=" O TYR F 52 " (cutoff:3.500A) Processing helix chain 'F' and resid 87 through 93 removed outlier: 4.294A pdb=" N TYR F 91 " --> pdb=" O VAL F 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS F 92 " --> pdb=" O MET F 88 " (cutoff:3.500A) Processing helix chain 'F' and resid 98 through 102 Processing helix chain 'F' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU F 114 " --> pdb=" O TYR F 110 " (cutoff:3.500A) Processing helix chain 'F' and resid 200 through 205 removed outlier: 3.860A pdb=" N ILE F 204 " --> pdb=" O ILE F 200 " (cutoff:3.500A) Processing helix chain 'F' and resid 307 through 310 Processing helix chain 'F' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR F 316 " --> pdb=" O ASN F 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN F 317 " --> pdb=" O SER F 313 " (cutoff:3.500A) Processing helix chain 'F' and resid 322 through 327 removed outlier: 3.592A pdb=" N TRP F 326 " --> pdb=" O ASN F 322 " (cutoff:3.500A) Processing helix chain 'G' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER G 56 " --> pdb=" O TYR G 52 " (cutoff:3.500A) Processing helix chain 'G' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR G 91 " --> pdb=" O VAL G 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS G 92 " --> pdb=" O MET G 88 " (cutoff:3.500A) Processing helix chain 'G' and resid 98 through 102 Processing helix chain 'G' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU G 114 " --> pdb=" O TYR G 110 " (cutoff:3.500A) Processing helix chain 'G' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE G 204 " --> pdb=" O ILE G 200 " (cutoff:3.500A) Processing helix chain 'G' and resid 307 through 310 Processing helix chain 'G' and resid 311 through 319 removed outlier: 4.103A pdb=" N THR G 316 " --> pdb=" O ASN G 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN G 317 " --> pdb=" O SER G 313 " (cutoff:3.500A) Processing helix chain 'G' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP G 326 " --> pdb=" O ASN G 322 " (cutoff:3.500A) Processing helix chain 'H' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER H 56 " --> pdb=" O TYR H 52 " (cutoff:3.500A) Processing helix chain 'H' and resid 87 through 93 removed outlier: 4.296A pdb=" N TYR H 91 " --> pdb=" O VAL H 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS H 92 " --> pdb=" O MET H 88 " (cutoff:3.500A) Processing helix chain 'H' and resid 98 through 102 Processing helix chain 'H' and resid 107 through 114 removed outlier: 3.571A pdb=" N LEU H 114 " --> pdb=" O TYR H 110 " (cutoff:3.500A) Processing helix chain 'H' and resid 200 through 205 removed outlier: 3.860A pdb=" N ILE H 204 " --> pdb=" O ILE H 200 " (cutoff:3.500A) Processing helix chain 'H' and resid 307 through 310 Processing helix chain 'H' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR H 316 " --> pdb=" O ASN H 312 " (cutoff:3.500A) removed outlier: 5.339A pdb=" N ASN H 317 " --> pdb=" O SER H 313 " (cutoff:3.500A) Processing helix chain 'H' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP H 326 " --> pdb=" O ASN H 322 " (cutoff:3.500A) Processing helix chain 'I' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER I 56 " --> pdb=" O TYR I 52 " (cutoff:3.500A) Processing helix chain 'I' and resid 87 through 93 removed outlier: 4.294A pdb=" N TYR I 91 " --> pdb=" O VAL I 87 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N CYS I 92 " --> pdb=" O MET I 88 " (cutoff:3.500A) Processing helix chain 'I' and resid 98 through 102 Processing helix chain 'I' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU I 114 " --> pdb=" O TYR I 110 " (cutoff:3.500A) Processing helix chain 'I' and resid 200 through 205 removed outlier: 3.860A pdb=" N ILE I 204 " --> pdb=" O ILE I 200 " (cutoff:3.500A) Processing helix chain 'I' and resid 307 through 310 Processing helix chain 'I' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR I 316 " --> pdb=" O ASN I 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN I 317 " --> pdb=" O SER I 313 " (cutoff:3.500A) Processing helix chain 'I' and resid 322 through 327 removed outlier: 3.592A pdb=" N TRP I 326 " --> pdb=" O ASN I 322 " (cutoff:3.500A) Processing helix chain 'J' and resid 52 through 57 removed outlier: 3.799A pdb=" N SER J 56 " --> pdb=" O TYR J 52 " (cutoff:3.500A) Processing helix chain 'J' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR J 91 " --> pdb=" O VAL J 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS J 92 " --> pdb=" O MET J 88 " (cutoff:3.500A) Processing helix chain 'J' and resid 98 through 102 Processing helix chain 'J' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU J 114 " --> pdb=" O TYR J 110 " (cutoff:3.500A) Processing helix chain 'J' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE J 204 " --> pdb=" O ILE J 200 " (cutoff:3.500A) Processing helix chain 'J' and resid 307 through 310 Processing helix chain 'J' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR J 316 " --> pdb=" O ASN J 312 " (cutoff:3.500A) removed outlier: 5.341A pdb=" N ASN J 317 " --> pdb=" O SER J 313 " (cutoff:3.500A) Processing helix chain 'J' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP J 326 " --> pdb=" O ASN J 322 " (cutoff:3.500A) Processing helix chain 'K' and resid 52 through 57 removed outlier: 3.801A pdb=" N SER K 56 " --> pdb=" O TYR K 52 " (cutoff:3.500A) Processing helix chain 'K' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR K 91 " --> pdb=" O VAL K 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS K 92 " --> pdb=" O MET K 88 " (cutoff:3.500A) Processing helix chain 'K' and resid 98 through 102 Processing helix chain 'K' and resid 107 through 114 removed outlier: 3.571A pdb=" N LEU K 114 " --> pdb=" O TYR K 110 " (cutoff:3.500A) Processing helix chain 'K' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE K 204 " --> pdb=" O ILE K 200 " (cutoff:3.500A) Processing helix chain 'K' and resid 307 through 310 Processing helix chain 'K' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR K 316 " --> pdb=" O ASN K 312 " (cutoff:3.500A) removed outlier: 5.339A pdb=" N ASN K 317 " --> pdb=" O SER K 313 " (cutoff:3.500A) Processing helix chain 'K' and resid 322 through 327 removed outlier: 3.592A pdb=" N TRP K 326 " --> pdb=" O ASN K 322 " (cutoff:3.500A) Processing helix chain 'L' and resid 52 through 57 removed outlier: 3.799A pdb=" N SER L 56 " --> pdb=" O TYR L 52 " (cutoff:3.500A) Processing helix chain 'L' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR L 91 " --> pdb=" O VAL L 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS L 92 " --> pdb=" O MET L 88 " (cutoff:3.500A) Processing helix chain 'L' and resid 98 through 102 Processing helix chain 'L' and resid 107 through 114 removed outlier: 3.571A pdb=" N LEU L 114 " --> pdb=" O TYR L 110 " (cutoff:3.500A) Processing helix chain 'L' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE L 204 " --> pdb=" O ILE L 200 " (cutoff:3.500A) Processing helix chain 'L' and resid 307 through 310 Processing helix chain 'L' and resid 311 through 319 removed outlier: 4.103A pdb=" N THR L 316 " --> pdb=" O ASN L 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN L 317 " --> pdb=" O SER L 313 " (cutoff:3.500A) Processing helix chain 'L' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP L 326 " --> pdb=" O ASN L 322 " (cutoff:3.500A) Processing helix chain 'M' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER M 56 " --> pdb=" O TYR M 52 " (cutoff:3.500A) Processing helix chain 'M' and resid 87 through 93 removed outlier: 4.296A pdb=" N TYR M 91 " --> pdb=" O VAL M 87 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N CYS M 92 " --> pdb=" O MET M 88 " (cutoff:3.500A) Processing helix chain 'M' and resid 98 through 102 Processing helix chain 'M' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU M 114 " --> pdb=" O TYR M 110 " (cutoff:3.500A) Processing helix chain 'M' and resid 200 through 205 removed outlier: 3.860A pdb=" N ILE M 204 " --> pdb=" O ILE M 200 " (cutoff:3.500A) Processing helix chain 'M' and resid 307 through 310 Processing helix chain 'M' and resid 311 through 319 removed outlier: 4.103A pdb=" N THR M 316 " --> pdb=" O ASN M 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN M 317 " --> pdb=" O SER M 313 " (cutoff:3.500A) Processing helix chain 'M' and resid 322 through 327 removed outlier: 3.592A pdb=" N TRP M 326 " --> pdb=" O ASN M 322 " (cutoff:3.500A) Processing helix chain 'N' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER N 56 " --> pdb=" O TYR N 52 " (cutoff:3.500A) Processing helix chain 'N' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR N 91 " --> pdb=" O VAL N 87 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N CYS N 92 " --> pdb=" O MET N 88 " (cutoff:3.500A) Processing helix chain 'N' and resid 98 through 102 Processing helix chain 'N' and resid 107 through 114 removed outlier: 3.573A pdb=" N LEU N 114 " --> pdb=" O TYR N 110 " (cutoff:3.500A) Processing helix chain 'N' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE N 204 " --> pdb=" O ILE N 200 " (cutoff:3.500A) Processing helix chain 'N' and resid 307 through 310 Processing helix chain 'N' and resid 311 through 319 removed outlier: 4.103A pdb=" N THR N 316 " --> pdb=" O ASN N 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN N 317 " --> pdb=" O SER N 313 " (cutoff:3.500A) Processing helix chain 'N' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP N 326 " --> pdb=" O ASN N 322 " (cutoff:3.500A) Processing helix chain 'O' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER O 56 " --> pdb=" O TYR O 52 " (cutoff:3.500A) Processing helix chain 'O' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR O 91 " --> pdb=" O VAL O 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS O 92 " --> pdb=" O MET O 88 " (cutoff:3.500A) Processing helix chain 'O' and resid 98 through 102 Processing helix chain 'O' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU O 114 " --> pdb=" O TYR O 110 " (cutoff:3.500A) Processing helix chain 'O' and resid 200 through 205 removed outlier: 3.860A pdb=" N ILE O 204 " --> pdb=" O ILE O 200 " (cutoff:3.500A) Processing helix chain 'O' and resid 307 through 310 Processing helix chain 'O' and resid 311 through 319 removed outlier: 4.103A pdb=" N THR O 316 " --> pdb=" O ASN O 312 " (cutoff:3.500A) removed outlier: 5.341A pdb=" N ASN O 317 " --> pdb=" O SER O 313 " (cutoff:3.500A) Processing helix chain 'O' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP O 326 " --> pdb=" O ASN O 322 " (cutoff:3.500A) Processing helix chain 'P' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER P 56 " --> pdb=" O TYR P 52 " (cutoff:3.500A) Processing helix chain 'P' and resid 87 through 93 removed outlier: 4.296A pdb=" N TYR P 91 " --> pdb=" O VAL P 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS P 92 " --> pdb=" O MET P 88 " (cutoff:3.500A) Processing helix chain 'P' and resid 98 through 102 Processing helix chain 'P' and resid 107 through 114 removed outlier: 3.571A pdb=" N LEU P 114 " --> pdb=" O TYR P 110 " (cutoff:3.500A) Processing helix chain 'P' and resid 200 through 205 removed outlier: 3.860A pdb=" N ILE P 204 " --> pdb=" O ILE P 200 " (cutoff:3.500A) Processing helix chain 'P' and resid 307 through 310 Processing helix chain 'P' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR P 316 " --> pdb=" O ASN P 312 " (cutoff:3.500A) removed outlier: 5.339A pdb=" N ASN P 317 " --> pdb=" O SER P 313 " (cutoff:3.500A) Processing helix chain 'P' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP P 326 " --> pdb=" O ASN P 322 " (cutoff:3.500A) Processing helix chain 'Q' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER Q 56 " --> pdb=" O TYR Q 52 " (cutoff:3.500A) Processing helix chain 'Q' and resid 87 through 93 removed outlier: 4.294A pdb=" N TYR Q 91 " --> pdb=" O VAL Q 87 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N CYS Q 92 " --> pdb=" O MET Q 88 " (cutoff:3.500A) Processing helix chain 'Q' and resid 98 through 102 Processing helix chain 'Q' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU Q 114 " --> pdb=" O TYR Q 110 " (cutoff:3.500A) Processing helix chain 'Q' and resid 200 through 205 removed outlier: 3.860A pdb=" N ILE Q 204 " --> pdb=" O ILE Q 200 " (cutoff:3.500A) Processing helix chain 'Q' and resid 307 through 310 Processing helix chain 'Q' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR Q 316 " --> pdb=" O ASN Q 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN Q 317 " --> pdb=" O SER Q 313 " (cutoff:3.500A) Processing helix chain 'Q' and resid 322 through 327 removed outlier: 3.592A pdb=" N TRP Q 326 " --> pdb=" O ASN Q 322 " (cutoff:3.500A) Processing helix chain 'R' and resid 52 through 57 removed outlier: 3.799A pdb=" N SER R 56 " --> pdb=" O TYR R 52 " (cutoff:3.500A) Processing helix chain 'R' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR R 91 " --> pdb=" O VAL R 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS R 92 " --> pdb=" O MET R 88 " (cutoff:3.500A) Processing helix chain 'R' and resid 98 through 102 Processing helix chain 'R' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU R 114 " --> pdb=" O TYR R 110 " (cutoff:3.500A) Processing helix chain 'R' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE R 204 " --> pdb=" O ILE R 200 " (cutoff:3.500A) Processing helix chain 'R' and resid 307 through 310 Processing helix chain 'R' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR R 316 " --> pdb=" O ASN R 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN R 317 " --> pdb=" O SER R 313 " (cutoff:3.500A) Processing helix chain 'R' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP R 326 " --> pdb=" O ASN R 322 " (cutoff:3.500A) Processing helix chain 'S' and resid 52 through 57 removed outlier: 3.799A pdb=" N SER S 56 " --> pdb=" O TYR S 52 " (cutoff:3.500A) Processing helix chain 'S' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR S 91 " --> pdb=" O VAL S 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS S 92 " --> pdb=" O MET S 88 " (cutoff:3.500A) Processing helix chain 'S' and resid 98 through 102 Processing helix chain 'S' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU S 114 " --> pdb=" O TYR S 110 " (cutoff:3.500A) Processing helix chain 'S' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE S 204 " --> pdb=" O ILE S 200 " (cutoff:3.500A) Processing helix chain 'S' and resid 307 through 310 Processing helix chain 'S' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR S 316 " --> pdb=" O ASN S 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN S 317 " --> pdb=" O SER S 313 " (cutoff:3.500A) Processing helix chain 'S' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP S 326 " --> pdb=" O ASN S 322 " (cutoff:3.500A) Processing helix chain 'T' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER T 56 " --> pdb=" O TYR T 52 " (cutoff:3.500A) Processing helix chain 'T' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR T 91 " --> pdb=" O VAL T 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS T 92 " --> pdb=" O MET T 88 " (cutoff:3.500A) Processing helix chain 'T' and resid 98 through 102 Processing helix chain 'T' and resid 107 through 114 removed outlier: 3.571A pdb=" N LEU T 114 " --> pdb=" O TYR T 110 " (cutoff:3.500A) Processing helix chain 'T' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE T 204 " --> pdb=" O ILE T 200 " (cutoff:3.500A) Processing helix chain 'T' and resid 307 through 310 Processing helix chain 'T' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR T 316 " --> pdb=" O ASN T 312 " (cutoff:3.500A) removed outlier: 5.339A pdb=" N ASN T 317 " --> pdb=" O SER T 313 " (cutoff:3.500A) Processing helix chain 'T' and resid 322 through 327 removed outlier: 3.592A pdb=" N TRP T 326 " --> pdb=" O ASN T 322 " (cutoff:3.500A) Processing helix chain 'U' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER U 56 " --> pdb=" O TYR U 52 " (cutoff:3.500A) Processing helix chain 'U' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR U 91 " --> pdb=" O VAL U 87 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N CYS U 92 " --> pdb=" O MET U 88 " (cutoff:3.500A) Processing helix chain 'U' and resid 98 through 102 Processing helix chain 'U' and resid 107 through 114 removed outlier: 3.571A pdb=" N LEU U 114 " --> pdb=" O TYR U 110 " (cutoff:3.500A) Processing helix chain 'U' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE U 204 " --> pdb=" O ILE U 200 " (cutoff:3.500A) Processing helix chain 'U' and resid 307 through 310 Processing helix chain 'U' and resid 311 through 319 removed outlier: 4.103A pdb=" N THR U 316 " --> pdb=" O ASN U 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN U 317 " --> pdb=" O SER U 313 " (cutoff:3.500A) Processing helix chain 'U' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP U 326 " --> pdb=" O ASN U 322 " (cutoff:3.500A) Processing helix chain 'V' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER V 56 " --> pdb=" O TYR V 52 " (cutoff:3.500A) Processing helix chain 'V' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR V 91 " --> pdb=" O VAL V 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS V 92 " --> pdb=" O MET V 88 " (cutoff:3.500A) Processing helix chain 'V' and resid 98 through 102 Processing helix chain 'V' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU V 114 " --> pdb=" O TYR V 110 " (cutoff:3.500A) Processing helix chain 'V' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE V 204 " --> pdb=" O ILE V 200 " (cutoff:3.500A) Processing helix chain 'V' and resid 307 through 310 Processing helix chain 'V' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR V 316 " --> pdb=" O ASN V 312 " (cutoff:3.500A) removed outlier: 5.339A pdb=" N ASN V 317 " --> pdb=" O SER V 313 " (cutoff:3.500A) Processing helix chain 'V' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP V 326 " --> pdb=" O ASN V 322 " (cutoff:3.500A) Processing helix chain 'W' and resid 52 through 57 removed outlier: 3.799A pdb=" N SER W 56 " --> pdb=" O TYR W 52 " (cutoff:3.500A) Processing helix chain 'W' and resid 87 through 93 removed outlier: 4.296A pdb=" N TYR W 91 " --> pdb=" O VAL W 87 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N CYS W 92 " --> pdb=" O MET W 88 " (cutoff:3.500A) Processing helix chain 'W' and resid 98 through 102 Processing helix chain 'W' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU W 114 " --> pdb=" O TYR W 110 " (cutoff:3.500A) Processing helix chain 'W' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE W 204 " --> pdb=" O ILE W 200 " (cutoff:3.500A) Processing helix chain 'W' and resid 307 through 310 Processing helix chain 'W' and resid 311 through 319 removed outlier: 4.103A pdb=" N THR W 316 " --> pdb=" O ASN W 312 " (cutoff:3.500A) removed outlier: 5.339A pdb=" N ASN W 317 " --> pdb=" O SER W 313 " (cutoff:3.500A) Processing helix chain 'W' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP W 326 " --> pdb=" O ASN W 322 " (cutoff:3.500A) Processing helix chain 'X' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER X 56 " --> pdb=" O TYR X 52 " (cutoff:3.500A) Processing helix chain 'X' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR X 91 " --> pdb=" O VAL X 87 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N CYS X 92 " --> pdb=" O MET X 88 " (cutoff:3.500A) Processing helix chain 'X' and resid 98 through 102 Processing helix chain 'X' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU X 114 " --> pdb=" O TYR X 110 " (cutoff:3.500A) Processing helix chain 'X' and resid 200 through 205 removed outlier: 3.860A pdb=" N ILE X 204 " --> pdb=" O ILE X 200 " (cutoff:3.500A) Processing helix chain 'X' and resid 307 through 310 Processing helix chain 'X' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR X 316 " --> pdb=" O ASN X 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN X 317 " --> pdb=" O SER X 313 " (cutoff:3.500A) Processing helix chain 'X' and resid 322 through 327 removed outlier: 3.592A pdb=" N TRP X 326 " --> pdb=" O ASN X 322 " (cutoff:3.500A) Processing helix chain 'Y' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER Y 56 " --> pdb=" O TYR Y 52 " (cutoff:3.500A) Processing helix chain 'Y' and resid 87 through 93 removed outlier: 4.296A pdb=" N TYR Y 91 " --> pdb=" O VAL Y 87 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N CYS Y 92 " --> pdb=" O MET Y 88 " (cutoff:3.500A) Processing helix chain 'Y' and resid 98 through 102 Processing helix chain 'Y' and resid 107 through 114 removed outlier: 3.573A pdb=" N LEU Y 114 " --> pdb=" O TYR Y 110 " (cutoff:3.500A) Processing helix chain 'Y' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE Y 204 " --> pdb=" O ILE Y 200 " (cutoff:3.500A) Processing helix chain 'Y' and resid 307 through 310 Processing helix chain 'Y' and resid 311 through 319 removed outlier: 4.103A pdb=" N THR Y 316 " --> pdb=" O ASN Y 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN Y 317 " --> pdb=" O SER Y 313 " (cutoff:3.500A) Processing helix chain 'Y' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP Y 326 " --> pdb=" O ASN Y 322 " (cutoff:3.500A) Processing helix chain 'Z' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER Z 56 " --> pdb=" O TYR Z 52 " (cutoff:3.500A) Processing helix chain 'Z' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR Z 91 " --> pdb=" O VAL Z 87 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N CYS Z 92 " --> pdb=" O MET Z 88 " (cutoff:3.500A) Processing helix chain 'Z' and resid 98 through 102 Processing helix chain 'Z' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU Z 114 " --> pdb=" O TYR Z 110 " (cutoff:3.500A) Processing helix chain 'Z' and resid 200 through 205 removed outlier: 3.860A pdb=" N ILE Z 204 " --> pdb=" O ILE Z 200 " (cutoff:3.500A) Processing helix chain 'Z' and resid 307 through 310 Processing helix chain 'Z' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR Z 316 " --> pdb=" O ASN Z 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN Z 317 " --> pdb=" O SER Z 313 " (cutoff:3.500A) Processing helix chain 'Z' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP Z 326 " --> pdb=" O ASN Z 322 " (cutoff:3.500A) Processing helix chain '8' and resid 52 through 57 removed outlier: 3.801A pdb=" N SER 8 56 " --> pdb=" O TYR 8 52 " (cutoff:3.500A) Processing helix chain '8' and resid 87 through 93 removed outlier: 4.294A pdb=" N TYR 8 91 " --> pdb=" O VAL 8 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS 8 92 " --> pdb=" O MET 8 88 " (cutoff:3.500A) Processing helix chain '8' and resid 98 through 102 Processing helix chain '8' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU 8 114 " --> pdb=" O TYR 8 110 " (cutoff:3.500A) Processing helix chain '8' and resid 200 through 205 removed outlier: 3.860A pdb=" N ILE 8 204 " --> pdb=" O ILE 8 200 " (cutoff:3.500A) Processing helix chain '8' and resid 307 through 310 Processing helix chain '8' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR 8 316 " --> pdb=" O ASN 8 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN 8 317 " --> pdb=" O SER 8 313 " (cutoff:3.500A) Processing helix chain '8' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP 8 326 " --> pdb=" O ASN 8 322 " (cutoff:3.500A) Processing helix chain '7' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER 7 56 " --> pdb=" O TYR 7 52 " (cutoff:3.500A) Processing helix chain '7' and resid 87 through 93 removed outlier: 4.294A pdb=" N TYR 7 91 " --> pdb=" O VAL 7 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS 7 92 " --> pdb=" O MET 7 88 " (cutoff:3.500A) Processing helix chain '7' and resid 98 through 102 Processing helix chain '7' and resid 107 through 114 removed outlier: 3.571A pdb=" N LEU 7 114 " --> pdb=" O TYR 7 110 " (cutoff:3.500A) Processing helix chain '7' and resid 200 through 205 removed outlier: 3.860A pdb=" N ILE 7 204 " --> pdb=" O ILE 7 200 " (cutoff:3.500A) Processing helix chain '7' and resid 307 through 310 Processing helix chain '7' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR 7 316 " --> pdb=" O ASN 7 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN 7 317 " --> pdb=" O SER 7 313 " (cutoff:3.500A) Processing helix chain '7' and resid 322 through 327 removed outlier: 3.592A pdb=" N TRP 7 326 " --> pdb=" O ASN 7 322 " (cutoff:3.500A) Processing helix chain '6' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER 6 56 " --> pdb=" O TYR 6 52 " (cutoff:3.500A) Processing helix chain '6' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR 6 91 " --> pdb=" O VAL 6 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS 6 92 " --> pdb=" O MET 6 88 " (cutoff:3.500A) Processing helix chain '6' and resid 98 through 102 Processing helix chain '6' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU 6 114 " --> pdb=" O TYR 6 110 " (cutoff:3.500A) Processing helix chain '6' and resid 200 through 205 removed outlier: 3.860A pdb=" N ILE 6 204 " --> pdb=" O ILE 6 200 " (cutoff:3.500A) Processing helix chain '6' and resid 307 through 310 Processing helix chain '6' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR 6 316 " --> pdb=" O ASN 6 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN 6 317 " --> pdb=" O SER 6 313 " (cutoff:3.500A) Processing helix chain '6' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP 6 326 " --> pdb=" O ASN 6 322 " (cutoff:3.500A) Processing helix chain '5' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER 5 56 " --> pdb=" O TYR 5 52 " (cutoff:3.500A) Processing helix chain '5' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR 5 91 " --> pdb=" O VAL 5 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS 5 92 " --> pdb=" O MET 5 88 " (cutoff:3.500A) Processing helix chain '5' and resid 98 through 102 Processing helix chain '5' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU 5 114 " --> pdb=" O TYR 5 110 " (cutoff:3.500A) Processing helix chain '5' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE 5 204 " --> pdb=" O ILE 5 200 " (cutoff:3.500A) Processing helix chain '5' and resid 307 through 310 Processing helix chain '5' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR 5 316 " --> pdb=" O ASN 5 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN 5 317 " --> pdb=" O SER 5 313 " (cutoff:3.500A) Processing helix chain '5' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP 5 326 " --> pdb=" O ASN 5 322 " (cutoff:3.500A) Processing helix chain '4' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER 4 56 " --> pdb=" O TYR 4 52 " (cutoff:3.500A) Processing helix chain '4' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR 4 91 " --> pdb=" O VAL 4 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS 4 92 " --> pdb=" O MET 4 88 " (cutoff:3.500A) Processing helix chain '4' and resid 98 through 102 Processing helix chain '4' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU 4 114 " --> pdb=" O TYR 4 110 " (cutoff:3.500A) Processing helix chain '4' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE 4 204 " --> pdb=" O ILE 4 200 " (cutoff:3.500A) Processing helix chain '4' and resid 307 through 310 Processing helix chain '4' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR 4 316 " --> pdb=" O ASN 4 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN 4 317 " --> pdb=" O SER 4 313 " (cutoff:3.500A) Processing helix chain '4' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP 4 326 " --> pdb=" O ASN 4 322 " (cutoff:3.500A) Processing helix chain '3' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER 3 56 " --> pdb=" O TYR 3 52 " (cutoff:3.500A) Processing helix chain '3' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR 3 91 " --> pdb=" O VAL 3 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS 3 92 " --> pdb=" O MET 3 88 " (cutoff:3.500A) Processing helix chain '3' and resid 98 through 102 Processing helix chain '3' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU 3 114 " --> pdb=" O TYR 3 110 " (cutoff:3.500A) Processing helix chain '3' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE 3 204 " --> pdb=" O ILE 3 200 " (cutoff:3.500A) Processing helix chain '3' and resid 307 through 310 Processing helix chain '3' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR 3 316 " --> pdb=" O ASN 3 312 " (cutoff:3.500A) removed outlier: 5.341A pdb=" N ASN 3 317 " --> pdb=" O SER 3 313 " (cutoff:3.500A) Processing helix chain '3' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP 3 326 " --> pdb=" O ASN 3 322 " (cutoff:3.500A) Processing helix chain 'a' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER a 56 " --> pdb=" O TYR a 52 " (cutoff:3.500A) Processing helix chain 'a' and resid 87 through 93 removed outlier: 4.296A pdb=" N TYR a 91 " --> pdb=" O VAL a 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS a 92 " --> pdb=" O MET a 88 " (cutoff:3.500A) Processing helix chain 'a' and resid 98 through 102 Processing helix chain 'a' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU a 114 " --> pdb=" O TYR a 110 " (cutoff:3.500A) Processing helix chain 'a' and resid 200 through 205 removed outlier: 3.860A pdb=" N ILE a 204 " --> pdb=" O ILE a 200 " (cutoff:3.500A) Processing helix chain 'a' and resid 307 through 310 Processing helix chain 'a' and resid 311 through 319 removed outlier: 4.103A pdb=" N THR a 316 " --> pdb=" O ASN a 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN a 317 " --> pdb=" O SER a 313 " (cutoff:3.500A) Processing helix chain 'a' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP a 326 " --> pdb=" O ASN a 322 " (cutoff:3.500A) Processing helix chain 'b' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER b 56 " --> pdb=" O TYR b 52 " (cutoff:3.500A) Processing helix chain 'b' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR b 91 " --> pdb=" O VAL b 87 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N CYS b 92 " --> pdb=" O MET b 88 " (cutoff:3.500A) Processing helix chain 'b' and resid 98 through 102 Processing helix chain 'b' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU b 114 " --> pdb=" O TYR b 110 " (cutoff:3.500A) Processing helix chain 'b' and resid 200 through 205 removed outlier: 3.860A pdb=" N ILE b 204 " --> pdb=" O ILE b 200 " (cutoff:3.500A) Processing helix chain 'b' and resid 307 through 310 Processing helix chain 'b' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR b 316 " --> pdb=" O ASN b 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN b 317 " --> pdb=" O SER b 313 " (cutoff:3.500A) Processing helix chain 'b' and resid 322 through 327 removed outlier: 3.592A pdb=" N TRP b 326 " --> pdb=" O ASN b 322 " (cutoff:3.500A) Processing helix chain 'c' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER c 56 " --> pdb=" O TYR c 52 " (cutoff:3.500A) Processing helix chain 'c' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR c 91 " --> pdb=" O VAL c 87 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N CYS c 92 " --> pdb=" O MET c 88 " (cutoff:3.500A) Processing helix chain 'c' and resid 98 through 102 Processing helix chain 'c' and resid 107 through 114 removed outlier: 3.573A pdb=" N LEU c 114 " --> pdb=" O TYR c 110 " (cutoff:3.500A) Processing helix chain 'c' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE c 204 " --> pdb=" O ILE c 200 " (cutoff:3.500A) Processing helix chain 'c' and resid 307 through 310 Processing helix chain 'c' and resid 311 through 319 removed outlier: 4.103A pdb=" N THR c 316 " --> pdb=" O ASN c 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN c 317 " --> pdb=" O SER c 313 " (cutoff:3.500A) Processing helix chain 'c' and resid 322 through 327 removed outlier: 3.592A pdb=" N TRP c 326 " --> pdb=" O ASN c 322 " (cutoff:3.500A) Processing helix chain 'd' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER d 56 " --> pdb=" O TYR d 52 " (cutoff:3.500A) Processing helix chain 'd' and resid 87 through 93 removed outlier: 4.296A pdb=" N TYR d 91 " --> pdb=" O VAL d 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS d 92 " --> pdb=" O MET d 88 " (cutoff:3.500A) Processing helix chain 'd' and resid 98 through 102 Processing helix chain 'd' and resid 107 through 114 removed outlier: 3.571A pdb=" N LEU d 114 " --> pdb=" O TYR d 110 " (cutoff:3.500A) Processing helix chain 'd' and resid 200 through 205 removed outlier: 3.860A pdb=" N ILE d 204 " --> pdb=" O ILE d 200 " (cutoff:3.500A) Processing helix chain 'd' and resid 307 through 310 Processing helix chain 'd' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR d 316 " --> pdb=" O ASN d 312 " (cutoff:3.500A) removed outlier: 5.339A pdb=" N ASN d 317 " --> pdb=" O SER d 313 " (cutoff:3.500A) Processing helix chain 'd' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP d 326 " --> pdb=" O ASN d 322 " (cutoff:3.500A) Processing helix chain 'e' and resid 52 through 57 removed outlier: 3.799A pdb=" N SER e 56 " --> pdb=" O TYR e 52 " (cutoff:3.500A) Processing helix chain 'e' and resid 87 through 93 removed outlier: 4.296A pdb=" N TYR e 91 " --> pdb=" O VAL e 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS e 92 " --> pdb=" O MET e 88 " (cutoff:3.500A) Processing helix chain 'e' and resid 98 through 102 Processing helix chain 'e' and resid 107 through 114 removed outlier: 3.571A pdb=" N LEU e 114 " --> pdb=" O TYR e 110 " (cutoff:3.500A) Processing helix chain 'e' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE e 204 " --> pdb=" O ILE e 200 " (cutoff:3.500A) Processing helix chain 'e' and resid 307 through 310 Processing helix chain 'e' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR e 316 " --> pdb=" O ASN e 312 " (cutoff:3.500A) removed outlier: 5.339A pdb=" N ASN e 317 " --> pdb=" O SER e 313 " (cutoff:3.500A) Processing helix chain 'e' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP e 326 " --> pdb=" O ASN e 322 " (cutoff:3.500A) Processing helix chain 'f' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER f 56 " --> pdb=" O TYR f 52 " (cutoff:3.500A) Processing helix chain 'f' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR f 91 " --> pdb=" O VAL f 87 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N CYS f 92 " --> pdb=" O MET f 88 " (cutoff:3.500A) Processing helix chain 'f' and resid 98 through 102 Processing helix chain 'f' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU f 114 " --> pdb=" O TYR f 110 " (cutoff:3.500A) Processing helix chain 'f' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE f 204 " --> pdb=" O ILE f 200 " (cutoff:3.500A) Processing helix chain 'f' and resid 307 through 310 Processing helix chain 'f' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR f 316 " --> pdb=" O ASN f 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN f 317 " --> pdb=" O SER f 313 " (cutoff:3.500A) Processing helix chain 'f' and resid 322 through 327 removed outlier: 3.592A pdb=" N TRP f 326 " --> pdb=" O ASN f 322 " (cutoff:3.500A) Processing helix chain 'g' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER g 56 " --> pdb=" O TYR g 52 " (cutoff:3.500A) Processing helix chain 'g' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR g 91 " --> pdb=" O VAL g 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS g 92 " --> pdb=" O MET g 88 " (cutoff:3.500A) Processing helix chain 'g' and resid 98 through 102 Processing helix chain 'g' and resid 107 through 114 removed outlier: 3.571A pdb=" N LEU g 114 " --> pdb=" O TYR g 110 " (cutoff:3.500A) Processing helix chain 'g' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE g 204 " --> pdb=" O ILE g 200 " (cutoff:3.500A) Processing helix chain 'g' and resid 307 through 310 Processing helix chain 'g' and resid 311 through 319 removed outlier: 4.103A pdb=" N THR g 316 " --> pdb=" O ASN g 312 " (cutoff:3.500A) removed outlier: 5.341A pdb=" N ASN g 317 " --> pdb=" O SER g 313 " (cutoff:3.500A) Processing helix chain 'g' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP g 326 " --> pdb=" O ASN g 322 " (cutoff:3.500A) Processing helix chain 'h' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER h 56 " --> pdb=" O TYR h 52 " (cutoff:3.500A) Processing helix chain 'h' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR h 91 " --> pdb=" O VAL h 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS h 92 " --> pdb=" O MET h 88 " (cutoff:3.500A) Processing helix chain 'h' and resid 98 through 102 Processing helix chain 'h' and resid 107 through 114 removed outlier: 3.571A pdb=" N LEU h 114 " --> pdb=" O TYR h 110 " (cutoff:3.500A) Processing helix chain 'h' and resid 200 through 205 removed outlier: 3.860A pdb=" N ILE h 204 " --> pdb=" O ILE h 200 " (cutoff:3.500A) Processing helix chain 'h' and resid 307 through 310 Processing helix chain 'h' and resid 311 through 319 removed outlier: 4.103A pdb=" N THR h 316 " --> pdb=" O ASN h 312 " (cutoff:3.500A) removed outlier: 5.339A pdb=" N ASN h 317 " --> pdb=" O SER h 313 " (cutoff:3.500A) Processing helix chain 'h' and resid 322 through 327 removed outlier: 3.592A pdb=" N TRP h 326 " --> pdb=" O ASN h 322 " (cutoff:3.500A) Processing helix chain 'i' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER i 56 " --> pdb=" O TYR i 52 " (cutoff:3.500A) Processing helix chain 'i' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR i 91 " --> pdb=" O VAL i 87 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N CYS i 92 " --> pdb=" O MET i 88 " (cutoff:3.500A) Processing helix chain 'i' and resid 98 through 102 Processing helix chain 'i' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU i 114 " --> pdb=" O TYR i 110 " (cutoff:3.500A) Processing helix chain 'i' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE i 204 " --> pdb=" O ILE i 200 " (cutoff:3.500A) Processing helix chain 'i' and resid 307 through 310 Processing helix chain 'i' and resid 311 through 319 removed outlier: 4.103A pdb=" N THR i 316 " --> pdb=" O ASN i 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN i 317 " --> pdb=" O SER i 313 " (cutoff:3.500A) Processing helix chain 'i' and resid 322 through 327 removed outlier: 3.592A pdb=" N TRP i 326 " --> pdb=" O ASN i 322 " (cutoff:3.500A) Processing helix chain 'j' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER j 56 " --> pdb=" O TYR j 52 " (cutoff:3.500A) Processing helix chain 'j' and resid 87 through 93 removed outlier: 4.296A pdb=" N TYR j 91 " --> pdb=" O VAL j 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS j 92 " --> pdb=" O MET j 88 " (cutoff:3.500A) Processing helix chain 'j' and resid 98 through 102 Processing helix chain 'j' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU j 114 " --> pdb=" O TYR j 110 " (cutoff:3.500A) Processing helix chain 'j' and resid 200 through 205 removed outlier: 3.860A pdb=" N ILE j 204 " --> pdb=" O ILE j 200 " (cutoff:3.500A) Processing helix chain 'j' and resid 307 through 310 Processing helix chain 'j' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR j 316 " --> pdb=" O ASN j 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN j 317 " --> pdb=" O SER j 313 " (cutoff:3.500A) Processing helix chain 'j' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP j 326 " --> pdb=" O ASN j 322 " (cutoff:3.500A) Processing helix chain 'k' and resid 52 through 57 removed outlier: 3.799A pdb=" N SER k 56 " --> pdb=" O TYR k 52 " (cutoff:3.500A) Processing helix chain 'k' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR k 91 " --> pdb=" O VAL k 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS k 92 " --> pdb=" O MET k 88 " (cutoff:3.500A) Processing helix chain 'k' and resid 98 through 102 Processing helix chain 'k' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU k 114 " --> pdb=" O TYR k 110 " (cutoff:3.500A) Processing helix chain 'k' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE k 204 " --> pdb=" O ILE k 200 " (cutoff:3.500A) Processing helix chain 'k' and resid 307 through 310 Processing helix chain 'k' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR k 316 " --> pdb=" O ASN k 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN k 317 " --> pdb=" O SER k 313 " (cutoff:3.500A) Processing helix chain 'k' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP k 326 " --> pdb=" O ASN k 322 " (cutoff:3.500A) Processing helix chain 'l' and resid 52 through 57 removed outlier: 3.799A pdb=" N SER l 56 " --> pdb=" O TYR l 52 " (cutoff:3.500A) Processing helix chain 'l' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR l 91 " --> pdb=" O VAL l 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS l 92 " --> pdb=" O MET l 88 " (cutoff:3.500A) Processing helix chain 'l' and resid 98 through 102 Processing helix chain 'l' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU l 114 " --> pdb=" O TYR l 110 " (cutoff:3.500A) Processing helix chain 'l' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE l 204 " --> pdb=" O ILE l 200 " (cutoff:3.500A) Processing helix chain 'l' and resid 307 through 310 Processing helix chain 'l' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR l 316 " --> pdb=" O ASN l 312 " (cutoff:3.500A) removed outlier: 5.341A pdb=" N ASN l 317 " --> pdb=" O SER l 313 " (cutoff:3.500A) Processing helix chain 'l' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP l 326 " --> pdb=" O ASN l 322 " (cutoff:3.500A) Processing helix chain 'm' and resid 52 through 57 removed outlier: 3.799A pdb=" N SER m 56 " --> pdb=" O TYR m 52 " (cutoff:3.500A) Processing helix chain 'm' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR m 91 " --> pdb=" O VAL m 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS m 92 " --> pdb=" O MET m 88 " (cutoff:3.500A) Processing helix chain 'm' and resid 98 through 102 Processing helix chain 'm' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU m 114 " --> pdb=" O TYR m 110 " (cutoff:3.500A) Processing helix chain 'm' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE m 204 " --> pdb=" O ILE m 200 " (cutoff:3.500A) Processing helix chain 'm' and resid 307 through 310 Processing helix chain 'm' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR m 316 " --> pdb=" O ASN m 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN m 317 " --> pdb=" O SER m 313 " (cutoff:3.500A) Processing helix chain 'm' and resid 322 through 327 removed outlier: 3.592A pdb=" N TRP m 326 " --> pdb=" O ASN m 322 " (cutoff:3.500A) Processing helix chain 'n' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER n 56 " --> pdb=" O TYR n 52 " (cutoff:3.500A) Processing helix chain 'n' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR n 91 " --> pdb=" O VAL n 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS n 92 " --> pdb=" O MET n 88 " (cutoff:3.500A) Processing helix chain 'n' and resid 98 through 102 Processing helix chain 'n' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU n 114 " --> pdb=" O TYR n 110 " (cutoff:3.500A) Processing helix chain 'n' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE n 204 " --> pdb=" O ILE n 200 " (cutoff:3.500A) Processing helix chain 'n' and resid 307 through 310 Processing helix chain 'n' and resid 311 through 319 removed outlier: 4.103A pdb=" N THR n 316 " --> pdb=" O ASN n 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN n 317 " --> pdb=" O SER n 313 " (cutoff:3.500A) Processing helix chain 'n' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP n 326 " --> pdb=" O ASN n 322 " (cutoff:3.500A) Processing helix chain 'o' and resid 52 through 57 removed outlier: 3.799A pdb=" N SER o 56 " --> pdb=" O TYR o 52 " (cutoff:3.500A) Processing helix chain 'o' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR o 91 " --> pdb=" O VAL o 87 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N CYS o 92 " --> pdb=" O MET o 88 " (cutoff:3.500A) Processing helix chain 'o' and resid 98 through 102 Processing helix chain 'o' and resid 107 through 114 removed outlier: 3.571A pdb=" N LEU o 114 " --> pdb=" O TYR o 110 " (cutoff:3.500A) Processing helix chain 'o' and resid 200 through 205 removed outlier: 3.860A pdb=" N ILE o 204 " --> pdb=" O ILE o 200 " (cutoff:3.500A) Processing helix chain 'o' and resid 307 through 310 Processing helix chain 'o' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR o 316 " --> pdb=" O ASN o 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN o 317 " --> pdb=" O SER o 313 " (cutoff:3.500A) Processing helix chain 'o' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP o 326 " --> pdb=" O ASN o 322 " (cutoff:3.500A) Processing helix chain 'p' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER p 56 " --> pdb=" O TYR p 52 " (cutoff:3.500A) Processing helix chain 'p' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR p 91 " --> pdb=" O VAL p 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS p 92 " --> pdb=" O MET p 88 " (cutoff:3.500A) Processing helix chain 'p' and resid 98 through 102 Processing helix chain 'p' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU p 114 " --> pdb=" O TYR p 110 " (cutoff:3.500A) Processing helix chain 'p' and resid 200 through 205 removed outlier: 3.860A pdb=" N ILE p 204 " --> pdb=" O ILE p 200 " (cutoff:3.500A) Processing helix chain 'p' and resid 307 through 310 Processing helix chain 'p' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR p 316 " --> pdb=" O ASN p 312 " (cutoff:3.500A) removed outlier: 5.341A pdb=" N ASN p 317 " --> pdb=" O SER p 313 " (cutoff:3.500A) Processing helix chain 'p' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP p 326 " --> pdb=" O ASN p 322 " (cutoff:3.500A) Processing helix chain 'q' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER q 56 " --> pdb=" O TYR q 52 " (cutoff:3.500A) Processing helix chain 'q' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR q 91 " --> pdb=" O VAL q 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS q 92 " --> pdb=" O MET q 88 " (cutoff:3.500A) Processing helix chain 'q' and resid 98 through 102 Processing helix chain 'q' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU q 114 " --> pdb=" O TYR q 110 " (cutoff:3.500A) Processing helix chain 'q' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE q 204 " --> pdb=" O ILE q 200 " (cutoff:3.500A) Processing helix chain 'q' and resid 307 through 310 Processing helix chain 'q' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR q 316 " --> pdb=" O ASN q 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN q 317 " --> pdb=" O SER q 313 " (cutoff:3.500A) Processing helix chain 'q' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP q 326 " --> pdb=" O ASN q 322 " (cutoff:3.500A) Processing helix chain 'r' and resid 52 through 57 removed outlier: 3.801A pdb=" N SER r 56 " --> pdb=" O TYR r 52 " (cutoff:3.500A) Processing helix chain 'r' and resid 87 through 93 removed outlier: 4.294A pdb=" N TYR r 91 " --> pdb=" O VAL r 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS r 92 " --> pdb=" O MET r 88 " (cutoff:3.500A) Processing helix chain 'r' and resid 98 through 102 Processing helix chain 'r' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU r 114 " --> pdb=" O TYR r 110 " (cutoff:3.500A) Processing helix chain 'r' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE r 204 " --> pdb=" O ILE r 200 " (cutoff:3.500A) Processing helix chain 'r' and resid 307 through 310 Processing helix chain 'r' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR r 316 " --> pdb=" O ASN r 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN r 317 " --> pdb=" O SER r 313 " (cutoff:3.500A) Processing helix chain 'r' and resid 322 through 327 removed outlier: 3.592A pdb=" N TRP r 326 " --> pdb=" O ASN r 322 " (cutoff:3.500A) Processing helix chain 's' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER s 56 " --> pdb=" O TYR s 52 " (cutoff:3.500A) Processing helix chain 's' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR s 91 " --> pdb=" O VAL s 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS s 92 " --> pdb=" O MET s 88 " (cutoff:3.500A) Processing helix chain 's' and resid 98 through 102 Processing helix chain 's' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU s 114 " --> pdb=" O TYR s 110 " (cutoff:3.500A) Processing helix chain 's' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE s 204 " --> pdb=" O ILE s 200 " (cutoff:3.500A) Processing helix chain 's' and resid 307 through 310 Processing helix chain 's' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR s 316 " --> pdb=" O ASN s 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN s 317 " --> pdb=" O SER s 313 " (cutoff:3.500A) Processing helix chain 's' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP s 326 " --> pdb=" O ASN s 322 " (cutoff:3.500A) Processing helix chain 't' and resid 52 through 57 removed outlier: 3.799A pdb=" N SER t 56 " --> pdb=" O TYR t 52 " (cutoff:3.500A) Processing helix chain 't' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR t 91 " --> pdb=" O VAL t 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS t 92 " --> pdb=" O MET t 88 " (cutoff:3.500A) Processing helix chain 't' and resid 98 through 102 Processing helix chain 't' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU t 114 " --> pdb=" O TYR t 110 " (cutoff:3.500A) Processing helix chain 't' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE t 204 " --> pdb=" O ILE t 200 " (cutoff:3.500A) Processing helix chain 't' and resid 307 through 310 Processing helix chain 't' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR t 316 " --> pdb=" O ASN t 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN t 317 " --> pdb=" O SER t 313 " (cutoff:3.500A) Processing helix chain 't' and resid 322 through 327 removed outlier: 3.592A pdb=" N TRP t 326 " --> pdb=" O ASN t 322 " (cutoff:3.500A) Processing helix chain 'u' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER u 56 " --> pdb=" O TYR u 52 " (cutoff:3.500A) Processing helix chain 'u' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR u 91 " --> pdb=" O VAL u 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS u 92 " --> pdb=" O MET u 88 " (cutoff:3.500A) Processing helix chain 'u' and resid 98 through 102 Processing helix chain 'u' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU u 114 " --> pdb=" O TYR u 110 " (cutoff:3.500A) Processing helix chain 'u' and resid 200 through 205 removed outlier: 3.860A pdb=" N ILE u 204 " --> pdb=" O ILE u 200 " (cutoff:3.500A) Processing helix chain 'u' and resid 307 through 310 Processing helix chain 'u' and resid 311 through 319 removed outlier: 4.103A pdb=" N THR u 316 " --> pdb=" O ASN u 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN u 317 " --> pdb=" O SER u 313 " (cutoff:3.500A) Processing helix chain 'u' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP u 326 " --> pdb=" O ASN u 322 " (cutoff:3.500A) Processing helix chain 'v' and resid 52 through 57 removed outlier: 3.799A pdb=" N SER v 56 " --> pdb=" O TYR v 52 " (cutoff:3.500A) Processing helix chain 'v' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR v 91 " --> pdb=" O VAL v 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS v 92 " --> pdb=" O MET v 88 " (cutoff:3.500A) Processing helix chain 'v' and resid 98 through 102 Processing helix chain 'v' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU v 114 " --> pdb=" O TYR v 110 " (cutoff:3.500A) Processing helix chain 'v' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE v 204 " --> pdb=" O ILE v 200 " (cutoff:3.500A) Processing helix chain 'v' and resid 307 through 310 Processing helix chain 'v' and resid 311 through 319 removed outlier: 4.103A pdb=" N THR v 316 " --> pdb=" O ASN v 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN v 317 " --> pdb=" O SER v 313 " (cutoff:3.500A) Processing helix chain 'v' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP v 326 " --> pdb=" O ASN v 322 " (cutoff:3.500A) Processing helix chain 'w' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER w 56 " --> pdb=" O TYR w 52 " (cutoff:3.500A) Processing helix chain 'w' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR w 91 " --> pdb=" O VAL w 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS w 92 " --> pdb=" O MET w 88 " (cutoff:3.500A) Processing helix chain 'w' and resid 98 through 102 Processing helix chain 'w' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU w 114 " --> pdb=" O TYR w 110 " (cutoff:3.500A) Processing helix chain 'w' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE w 204 " --> pdb=" O ILE w 200 " (cutoff:3.500A) Processing helix chain 'w' and resid 307 through 310 Processing helix chain 'w' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR w 316 " --> pdb=" O ASN w 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN w 317 " --> pdb=" O SER w 313 " (cutoff:3.500A) Processing helix chain 'w' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP w 326 " --> pdb=" O ASN w 322 " (cutoff:3.500A) Processing helix chain 'x' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER x 56 " --> pdb=" O TYR x 52 " (cutoff:3.500A) Processing helix chain 'x' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR x 91 " --> pdb=" O VAL x 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS x 92 " --> pdb=" O MET x 88 " (cutoff:3.500A) Processing helix chain 'x' and resid 98 through 102 Processing helix chain 'x' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU x 114 " --> pdb=" O TYR x 110 " (cutoff:3.500A) Processing helix chain 'x' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE x 204 " --> pdb=" O ILE x 200 " (cutoff:3.500A) Processing helix chain 'x' and resid 307 through 310 Processing helix chain 'x' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR x 316 " --> pdb=" O ASN x 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN x 317 " --> pdb=" O SER x 313 " (cutoff:3.500A) Processing helix chain 'x' and resid 322 through 327 removed outlier: 3.592A pdb=" N TRP x 326 " --> pdb=" O ASN x 322 " (cutoff:3.500A) Processing helix chain 'y' and resid 52 through 57 removed outlier: 3.801A pdb=" N SER y 56 " --> pdb=" O TYR y 52 " (cutoff:3.500A) Processing helix chain 'y' and resid 87 through 93 removed outlier: 4.296A pdb=" N TYR y 91 " --> pdb=" O VAL y 87 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N CYS y 92 " --> pdb=" O MET y 88 " (cutoff:3.500A) Processing helix chain 'y' and resid 98 through 102 Processing helix chain 'y' and resid 107 through 114 removed outlier: 3.571A pdb=" N LEU y 114 " --> pdb=" O TYR y 110 " (cutoff:3.500A) Processing helix chain 'y' and resid 200 through 205 removed outlier: 3.860A pdb=" N ILE y 204 " --> pdb=" O ILE y 200 " (cutoff:3.500A) Processing helix chain 'y' and resid 307 through 310 Processing helix chain 'y' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR y 316 " --> pdb=" O ASN y 312 " (cutoff:3.500A) removed outlier: 5.339A pdb=" N ASN y 317 " --> pdb=" O SER y 313 " (cutoff:3.500A) Processing helix chain 'y' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP y 326 " --> pdb=" O ASN y 322 " (cutoff:3.500A) Processing helix chain 'z' and resid 52 through 57 removed outlier: 3.799A pdb=" N SER z 56 " --> pdb=" O TYR z 52 " (cutoff:3.500A) Processing helix chain 'z' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR z 91 " --> pdb=" O VAL z 87 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N CYS z 92 " --> pdb=" O MET z 88 " (cutoff:3.500A) Processing helix chain 'z' and resid 98 through 102 Processing helix chain 'z' and resid 107 through 114 removed outlier: 3.571A pdb=" N LEU z 114 " --> pdb=" O TYR z 110 " (cutoff:3.500A) Processing helix chain 'z' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE z 204 " --> pdb=" O ILE z 200 " (cutoff:3.500A) Processing helix chain 'z' and resid 307 through 310 Processing helix chain 'z' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR z 316 " --> pdb=" O ASN z 312 " (cutoff:3.500A) removed outlier: 5.339A pdb=" N ASN z 317 " --> pdb=" O SER z 313 " (cutoff:3.500A) Processing helix chain 'z' and resid 322 through 327 removed outlier: 3.592A pdb=" N TRP z 326 " --> pdb=" O ASN z 322 " (cutoff:3.500A) Processing helix chain '1' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER 1 56 " --> pdb=" O TYR 1 52 " (cutoff:3.500A) Processing helix chain '1' and resid 87 through 93 removed outlier: 4.296A pdb=" N TYR 1 91 " --> pdb=" O VAL 1 87 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N CYS 1 92 " --> pdb=" O MET 1 88 " (cutoff:3.500A) Processing helix chain '1' and resid 98 through 102 Processing helix chain '1' and resid 107 through 114 removed outlier: 3.573A pdb=" N LEU 1 114 " --> pdb=" O TYR 1 110 " (cutoff:3.500A) Processing helix chain '1' and resid 200 through 205 removed outlier: 3.859A pdb=" N ILE 1 204 " --> pdb=" O ILE 1 200 " (cutoff:3.500A) Processing helix chain '1' and resid 307 through 310 Processing helix chain '1' and resid 311 through 319 removed outlier: 4.103A pdb=" N THR 1 316 " --> pdb=" O ASN 1 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN 1 317 " --> pdb=" O SER 1 313 " (cutoff:3.500A) Processing helix chain '1' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP 1 326 " --> pdb=" O ASN 1 322 " (cutoff:3.500A) Processing helix chain '2' and resid 52 through 57 removed outlier: 3.800A pdb=" N SER 2 56 " --> pdb=" O TYR 2 52 " (cutoff:3.500A) Processing helix chain '2' and resid 87 through 93 removed outlier: 4.295A pdb=" N TYR 2 91 " --> pdb=" O VAL 2 87 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N CYS 2 92 " --> pdb=" O MET 2 88 " (cutoff:3.500A) Processing helix chain '2' and resid 98 through 102 Processing helix chain '2' and resid 107 through 114 removed outlier: 3.572A pdb=" N LEU 2 114 " --> pdb=" O TYR 2 110 " (cutoff:3.500A) Processing helix chain '2' and resid 200 through 205 removed outlier: 3.860A pdb=" N ILE 2 204 " --> pdb=" O ILE 2 200 " (cutoff:3.500A) Processing helix chain '2' and resid 307 through 310 Processing helix chain '2' and resid 311 through 319 removed outlier: 4.104A pdb=" N THR 2 316 " --> pdb=" O ASN 2 312 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ASN 2 317 " --> pdb=" O SER 2 313 " (cutoff:3.500A) Processing helix chain '2' and resid 322 through 327 removed outlier: 3.593A pdb=" N TRP 2 326 " --> pdb=" O ASN 2 322 " (cutoff:3.500A) Processing sheet with id=AA1, first strand: chain 'A' and resid 47 through 48 removed outlier: 3.734A pdb=" N TRP A 47 " --> pdb=" O TYR G 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY G 270 " --> pdb=" O ASP G 162 " (cutoff:3.500A) Processing sheet with id=AA2, first strand: chain 'A' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR A 292 " --> pdb=" O ASN A 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN A 130 " --> pdb=" O THR A 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU A 294 " --> pdb=" O LEU A 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU A 128 " --> pdb=" O GLU A 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU A 296 " --> pdb=" O TYR A 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR A 126 " --> pdb=" O GLU A 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU A 298 " --> pdb=" O VAL A 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL A 124 " --> pdb=" O GLU A 298 " (cutoff:3.500A) Processing sheet with id=AA3, first strand: chain 'A' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR A 292 " --> pdb=" O ASN A 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN A 130 " --> pdb=" O THR A 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU A 294 " --> pdb=" O LEU A 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU A 128 " --> pdb=" O GLU A 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU A 296 " --> pdb=" O TYR A 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR A 126 " --> pdb=" O GLU A 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU A 298 " --> pdb=" O VAL A 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL A 124 " --> pdb=" O GLU A 298 " (cutoff:3.500A) Processing sheet with id=AA4, first strand: chain 'A' and resid 189 through 191 removed outlier: 3.724A pdb=" N GLY A 270 " --> pdb=" O ASP A 162 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N TRP I 47 " --> pdb=" O TYR A 210 " (cutoff:3.500A) Processing sheet with id=AA5, first strand: chain 'A' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP A 178 " --> pdb=" O ILE A 341 " (cutoff:3.500A) Processing sheet with id=AA6, first strand: chain 'A' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER A 335 " --> pdb=" O ASN A 342 " (cutoff:3.500A) Processing sheet with id=AA7, first strand: chain 'A' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS A 257 " --> pdb=" O HIS A 368 " (cutoff:3.500A) Processing sheet with id=AA8, first strand: chain 'B' and resid 47 through 48 removed outlier: 3.743A pdb=" N TRP B 47 " --> pdb=" O TYR J 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY J 270 " --> pdb=" O ASP J 162 " (cutoff:3.500A) Processing sheet with id=AA9, first strand: chain 'B' and resid 59 through 72 removed outlier: 4.518A pdb=" N THR B 292 " --> pdb=" O ASN B 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN B 130 " --> pdb=" O THR B 292 " (cutoff:3.500A) removed outlier: 7.108A pdb=" N GLU B 294 " --> pdb=" O LEU B 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU B 128 " --> pdb=" O GLU B 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU B 296 " --> pdb=" O TYR B 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR B 126 " --> pdb=" O GLU B 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU B 298 " --> pdb=" O VAL B 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL B 124 " --> pdb=" O GLU B 298 " (cutoff:3.500A) Processing sheet with id=AB1, first strand: chain 'B' and resid 118 through 120 removed outlier: 4.518A pdb=" N THR B 292 " --> pdb=" O ASN B 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN B 130 " --> pdb=" O THR B 292 " (cutoff:3.500A) removed outlier: 7.108A pdb=" N GLU B 294 " --> pdb=" O LEU B 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU B 128 " --> pdb=" O GLU B 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU B 296 " --> pdb=" O TYR B 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR B 126 " --> pdb=" O GLU B 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU B 298 " --> pdb=" O VAL B 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL B 124 " --> pdb=" O GLU B 298 " (cutoff:3.500A) Processing sheet with id=AB2, first strand: chain 'B' and resid 189 through 191 removed outlier: 3.724A pdb=" N GLY B 270 " --> pdb=" O ASP B 162 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N TRP L 47 " --> pdb=" O TYR B 210 " (cutoff:3.500A) Processing sheet with id=AB3, first strand: chain 'B' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP B 178 " --> pdb=" O ILE B 341 " (cutoff:3.500A) Processing sheet with id=AB4, first strand: chain 'B' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER B 335 " --> pdb=" O ASN B 342 " (cutoff:3.500A) Processing sheet with id=AB5, first strand: chain 'B' and resid 257 through 262 removed outlier: 3.575A pdb=" N HIS B 257 " --> pdb=" O HIS B 368 " (cutoff:3.500A) Processing sheet with id=AB6, first strand: chain 'C' and resid 47 through 48 removed outlier: 3.711A pdb=" N TRP C 47 " --> pdb=" O TYR 7 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY 7 270 " --> pdb=" O ASP 7 162 " (cutoff:3.500A) Processing sheet with id=AB7, first strand: chain 'C' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR C 292 " --> pdb=" O ASN C 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN C 130 " --> pdb=" O THR C 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU C 294 " --> pdb=" O LEU C 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU C 128 " --> pdb=" O GLU C 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU C 296 " --> pdb=" O TYR C 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR C 126 " --> pdb=" O GLU C 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU C 298 " --> pdb=" O VAL C 124 " (cutoff:3.500A) removed outlier: 5.871A pdb=" N VAL C 124 " --> pdb=" O GLU C 298 " (cutoff:3.500A) Processing sheet with id=AB8, first strand: chain 'C' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR C 292 " --> pdb=" O ASN C 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN C 130 " --> pdb=" O THR C 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU C 294 " --> pdb=" O LEU C 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU C 128 " --> pdb=" O GLU C 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU C 296 " --> pdb=" O TYR C 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR C 126 " --> pdb=" O GLU C 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU C 298 " --> pdb=" O VAL C 124 " (cutoff:3.500A) removed outlier: 5.871A pdb=" N VAL C 124 " --> pdb=" O GLU C 298 " (cutoff:3.500A) Processing sheet with id=AB9, first strand: chain 'C' and resid 189 through 191 removed outlier: 3.724A pdb=" N GLY C 270 " --> pdb=" O ASP C 162 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N TRP M 47 " --> pdb=" O TYR C 210 " (cutoff:3.500A) Processing sheet with id=AC1, first strand: chain 'C' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP C 178 " --> pdb=" O ILE C 341 " (cutoff:3.500A) Processing sheet with id=AC2, first strand: chain 'C' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER C 335 " --> pdb=" O ASN C 342 " (cutoff:3.500A) Processing sheet with id=AC3, first strand: chain 'C' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS C 257 " --> pdb=" O HIS C 368 " (cutoff:3.500A) Processing sheet with id=AC4, first strand: chain 'D' and resid 47 through 48 removed outlier: 3.741A pdb=" N TRP D 47 " --> pdb=" O TYR N 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY N 270 " --> pdb=" O ASP N 162 " (cutoff:3.500A) Processing sheet with id=AC5, first strand: chain 'D' and resid 59 through 72 removed outlier: 4.518A pdb=" N THR D 292 " --> pdb=" O ASN D 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN D 130 " --> pdb=" O THR D 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU D 294 " --> pdb=" O LEU D 128 " (cutoff:3.500A) removed outlier: 5.422A pdb=" N LEU D 128 " --> pdb=" O GLU D 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU D 296 " --> pdb=" O TYR D 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR D 126 " --> pdb=" O GLU D 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU D 298 " --> pdb=" O VAL D 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL D 124 " --> pdb=" O GLU D 298 " (cutoff:3.500A) Processing sheet with id=AC6, first strand: chain 'D' and resid 118 through 120 removed outlier: 4.518A pdb=" N THR D 292 " --> pdb=" O ASN D 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN D 130 " --> pdb=" O THR D 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU D 294 " --> pdb=" O LEU D 128 " (cutoff:3.500A) removed outlier: 5.422A pdb=" N LEU D 128 " --> pdb=" O GLU D 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU D 296 " --> pdb=" O TYR D 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR D 126 " --> pdb=" O GLU D 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU D 298 " --> pdb=" O VAL D 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL D 124 " --> pdb=" O GLU D 298 " (cutoff:3.500A) Processing sheet with id=AC7, first strand: chain 'D' and resid 189 through 191 removed outlier: 3.724A pdb=" N GLY D 270 " --> pdb=" O ASP D 162 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N TRP P 47 " --> pdb=" O TYR D 210 " (cutoff:3.500A) Processing sheet with id=AC8, first strand: chain 'D' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP D 178 " --> pdb=" O ILE D 341 " (cutoff:3.500A) Processing sheet with id=AC9, first strand: chain 'D' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER D 335 " --> pdb=" O ASN D 342 " (cutoff:3.500A) Processing sheet with id=AD1, first strand: chain 'D' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS D 257 " --> pdb=" O HIS D 368 " (cutoff:3.500A) Processing sheet with id=AD2, first strand: chain 'E' and resid 47 through 48 removed outlier: 3.750A pdb=" N TRP E 47 " --> pdb=" O TYR Q 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY Q 270 " --> pdb=" O ASP Q 162 " (cutoff:3.500A) Processing sheet with id=AD3, first strand: chain 'E' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR E 292 " --> pdb=" O ASN E 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN E 130 " --> pdb=" O THR E 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU E 294 " --> pdb=" O LEU E 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU E 128 " --> pdb=" O GLU E 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU E 296 " --> pdb=" O TYR E 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR E 126 " --> pdb=" O GLU E 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU E 298 " --> pdb=" O VAL E 124 " (cutoff:3.500A) removed outlier: 5.869A pdb=" N VAL E 124 " --> pdb=" O GLU E 298 " (cutoff:3.500A) Processing sheet with id=AD4, first strand: chain 'E' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR E 292 " --> pdb=" O ASN E 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN E 130 " --> pdb=" O THR E 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU E 294 " --> pdb=" O LEU E 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU E 128 " --> pdb=" O GLU E 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU E 296 " --> pdb=" O TYR E 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR E 126 " --> pdb=" O GLU E 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU E 298 " --> pdb=" O VAL E 124 " (cutoff:3.500A) removed outlier: 5.869A pdb=" N VAL E 124 " --> pdb=" O GLU E 298 " (cutoff:3.500A) Processing sheet with id=AD5, first strand: chain 'E' and resid 189 through 191 removed outlier: 3.724A pdb=" N GLY E 270 " --> pdb=" O ASP E 162 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N TRP F 47 " --> pdb=" O TYR E 210 " (cutoff:3.500A) Processing sheet with id=AD6, first strand: chain 'E' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP E 178 " --> pdb=" O ILE E 341 " (cutoff:3.500A) Processing sheet with id=AD7, first strand: chain 'E' and resid 169 through 170 removed outlier: 7.311A pdb=" N SER E 335 " --> pdb=" O ASN E 342 " (cutoff:3.500A) Processing sheet with id=AD8, first strand: chain 'E' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS E 257 " --> pdb=" O HIS E 368 " (cutoff:3.500A) Processing sheet with id=AD9, first strand: chain 'F' and resid 59 through 72 removed outlier: 4.518A pdb=" N THR F 292 " --> pdb=" O ASN F 130 " (cutoff:3.500A) removed outlier: 5.816A pdb=" N ASN F 130 " --> pdb=" O THR F 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU F 294 " --> pdb=" O LEU F 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU F 128 " --> pdb=" O GLU F 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU F 296 " --> pdb=" O TYR F 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR F 126 " --> pdb=" O GLU F 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU F 298 " --> pdb=" O VAL F 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL F 124 " --> pdb=" O GLU F 298 " (cutoff:3.500A) Processing sheet with id=AE1, first strand: chain 'F' and resid 118 through 120 removed outlier: 4.518A pdb=" N THR F 292 " --> pdb=" O ASN F 130 " (cutoff:3.500A) removed outlier: 5.816A pdb=" N ASN F 130 " --> pdb=" O THR F 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU F 294 " --> pdb=" O LEU F 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU F 128 " --> pdb=" O GLU F 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU F 296 " --> pdb=" O TYR F 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR F 126 " --> pdb=" O GLU F 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU F 298 " --> pdb=" O VAL F 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL F 124 " --> pdb=" O GLU F 298 " (cutoff:3.500A) Processing sheet with id=AE2, first strand: chain 'F' and resid 189 through 191 removed outlier: 3.724A pdb=" N GLY F 270 " --> pdb=" O ASP F 162 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N TRP Q 47 " --> pdb=" O TYR F 210 " (cutoff:3.500A) Processing sheet with id=AE3, first strand: chain 'F' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP F 178 " --> pdb=" O ILE F 341 " (cutoff:3.500A) Processing sheet with id=AE4, first strand: chain 'F' and resid 169 through 170 removed outlier: 7.311A pdb=" N SER F 335 " --> pdb=" O ASN F 342 " (cutoff:3.500A) Processing sheet with id=AE5, first strand: chain 'F' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS F 257 " --> pdb=" O HIS F 368 " (cutoff:3.500A) Processing sheet with id=AE6, first strand: chain 'G' and resid 47 through 48 removed outlier: 3.750A pdb=" N TRP G 47 " --> pdb=" O TYR I 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY I 270 " --> pdb=" O ASP I 162 " (cutoff:3.500A) Processing sheet with id=AE7, first strand: chain 'G' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR G 292 " --> pdb=" O ASN G 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN G 130 " --> pdb=" O THR G 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU G 294 " --> pdb=" O LEU G 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU G 128 " --> pdb=" O GLU G 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU G 296 " --> pdb=" O TYR G 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR G 126 " --> pdb=" O GLU G 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU G 298 " --> pdb=" O VAL G 124 " (cutoff:3.500A) removed outlier: 5.869A pdb=" N VAL G 124 " --> pdb=" O GLU G 298 " (cutoff:3.500A) Processing sheet with id=AE8, first strand: chain 'G' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR G 292 " --> pdb=" O ASN G 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN G 130 " --> pdb=" O THR G 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU G 294 " --> pdb=" O LEU G 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU G 128 " --> pdb=" O GLU G 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU G 296 " --> pdb=" O TYR G 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR G 126 " --> pdb=" O GLU G 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU G 298 " --> pdb=" O VAL G 124 " (cutoff:3.500A) removed outlier: 5.869A pdb=" N VAL G 124 " --> pdb=" O GLU G 298 " (cutoff:3.500A) Processing sheet with id=AE9, first strand: chain 'G' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP G 178 " --> pdb=" O ILE G 341 " (cutoff:3.500A) Processing sheet with id=AF1, first strand: chain 'G' and resid 169 through 170 removed outlier: 7.311A pdb=" N SER G 335 " --> pdb=" O ASN G 342 " (cutoff:3.500A) Processing sheet with id=AF2, first strand: chain 'G' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS G 257 " --> pdb=" O HIS G 368 " (cutoff:3.500A) Processing sheet with id=AF3, first strand: chain 'H' and resid 47 through 48 removed outlier: 3.743A pdb=" N TRP H 47 " --> pdb=" O TYR W 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY W 270 " --> pdb=" O ASP W 162 " (cutoff:3.500A) Processing sheet with id=AF4, first strand: chain 'H' and resid 59 through 72 removed outlier: 4.518A pdb=" N THR H 292 " --> pdb=" O ASN H 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN H 130 " --> pdb=" O THR H 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU H 294 " --> pdb=" O LEU H 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU H 128 " --> pdb=" O GLU H 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU H 296 " --> pdb=" O TYR H 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR H 126 " --> pdb=" O GLU H 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU H 298 " --> pdb=" O VAL H 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL H 124 " --> pdb=" O GLU H 298 " (cutoff:3.500A) Processing sheet with id=AF5, first strand: chain 'H' and resid 118 through 120 removed outlier: 4.518A pdb=" N THR H 292 " --> pdb=" O ASN H 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN H 130 " --> pdb=" O THR H 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU H 294 " --> pdb=" O LEU H 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU H 128 " --> pdb=" O GLU H 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU H 296 " --> pdb=" O TYR H 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR H 126 " --> pdb=" O GLU H 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU H 298 " --> pdb=" O VAL H 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL H 124 " --> pdb=" O GLU H 298 " (cutoff:3.500A) Processing sheet with id=AF6, first strand: chain 'H' and resid 189 through 191 removed outlier: 3.724A pdb=" N GLY H 270 " --> pdb=" O ASP H 162 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N TRP Y 47 " --> pdb=" O TYR H 210 " (cutoff:3.500A) Processing sheet with id=AF7, first strand: chain 'H' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP H 178 " --> pdb=" O ILE H 341 " (cutoff:3.500A) Processing sheet with id=AF8, first strand: chain 'H' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER H 335 " --> pdb=" O ASN H 342 " (cutoff:3.500A) Processing sheet with id=AF9, first strand: chain 'H' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS H 257 " --> pdb=" O HIS H 368 " (cutoff:3.500A) Processing sheet with id=AG1, first strand: chain 'I' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR I 292 " --> pdb=" O ASN I 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN I 130 " --> pdb=" O THR I 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU I 294 " --> pdb=" O LEU I 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU I 128 " --> pdb=" O GLU I 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU I 296 " --> pdb=" O TYR I 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR I 126 " --> pdb=" O GLU I 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU I 298 " --> pdb=" O VAL I 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL I 124 " --> pdb=" O GLU I 298 " (cutoff:3.500A) Processing sheet with id=AG2, first strand: chain 'I' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR I 292 " --> pdb=" O ASN I 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN I 130 " --> pdb=" O THR I 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU I 294 " --> pdb=" O LEU I 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU I 128 " --> pdb=" O GLU I 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU I 296 " --> pdb=" O TYR I 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR I 126 " --> pdb=" O GLU I 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU I 298 " --> pdb=" O VAL I 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL I 124 " --> pdb=" O GLU I 298 " (cutoff:3.500A) Processing sheet with id=AG3, first strand: chain 'I' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP I 178 " --> pdb=" O ILE I 341 " (cutoff:3.500A) Processing sheet with id=AG4, first strand: chain 'I' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER I 335 " --> pdb=" O ASN I 342 " (cutoff:3.500A) Processing sheet with id=AG5, first strand: chain 'I' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS I 257 " --> pdb=" O HIS I 368 " (cutoff:3.500A) Processing sheet with id=AG6, first strand: chain 'J' and resid 47 through 48 removed outlier: 3.739A pdb=" N TRP J 47 " --> pdb=" O TYR L 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY L 270 " --> pdb=" O ASP L 162 " (cutoff:3.500A) Processing sheet with id=AG7, first strand: chain 'J' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR J 292 " --> pdb=" O ASN J 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN J 130 " --> pdb=" O THR J 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU J 294 " --> pdb=" O LEU J 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU J 128 " --> pdb=" O GLU J 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU J 296 " --> pdb=" O TYR J 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR J 126 " --> pdb=" O GLU J 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU J 298 " --> pdb=" O VAL J 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL J 124 " --> pdb=" O GLU J 298 " (cutoff:3.500A) Processing sheet with id=AG8, first strand: chain 'J' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR J 292 " --> pdb=" O ASN J 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN J 130 " --> pdb=" O THR J 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU J 294 " --> pdb=" O LEU J 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU J 128 " --> pdb=" O GLU J 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU J 296 " --> pdb=" O TYR J 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR J 126 " --> pdb=" O GLU J 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU J 298 " --> pdb=" O VAL J 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL J 124 " --> pdb=" O GLU J 298 " (cutoff:3.500A) Processing sheet with id=AG9, first strand: chain 'J' and resid 169 through 170 removed outlier: 4.247A pdb=" N TRP J 178 " --> pdb=" O ILE J 341 " (cutoff:3.500A) Processing sheet with id=AH1, first strand: chain 'J' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER J 335 " --> pdb=" O ASN J 342 " (cutoff:3.500A) Processing sheet with id=AH2, first strand: chain 'J' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS J 257 " --> pdb=" O HIS J 368 " (cutoff:3.500A) Processing sheet with id=AH3, first strand: chain 'K' and resid 47 through 48 removed outlier: 3.738A pdb=" N TRP K 47 " --> pdb=" O TYR 8 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY 8 270 " --> pdb=" O ASP 8 162 " (cutoff:3.500A) Processing sheet with id=AH4, first strand: chain 'K' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR K 292 " --> pdb=" O ASN K 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN K 130 " --> pdb=" O THR K 292 " (cutoff:3.500A) removed outlier: 7.110A pdb=" N GLU K 294 " --> pdb=" O LEU K 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU K 128 " --> pdb=" O GLU K 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU K 296 " --> pdb=" O TYR K 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR K 126 " --> pdb=" O GLU K 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU K 298 " --> pdb=" O VAL K 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL K 124 " --> pdb=" O GLU K 298 " (cutoff:3.500A) Processing sheet with id=AH5, first strand: chain 'K' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR K 292 " --> pdb=" O ASN K 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN K 130 " --> pdb=" O THR K 292 " (cutoff:3.500A) removed outlier: 7.110A pdb=" N GLU K 294 " --> pdb=" O LEU K 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU K 128 " --> pdb=" O GLU K 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU K 296 " --> pdb=" O TYR K 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR K 126 " --> pdb=" O GLU K 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU K 298 " --> pdb=" O VAL K 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL K 124 " --> pdb=" O GLU K 298 " (cutoff:3.500A) Processing sheet with id=AH6, first strand: chain 'K' and resid 189 through 191 removed outlier: 3.723A pdb=" N GLY K 270 " --> pdb=" O ASP K 162 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N TRP 2 47 " --> pdb=" O TYR K 210 " (cutoff:3.500A) Processing sheet with id=AH7, first strand: chain 'K' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP K 178 " --> pdb=" O ILE K 341 " (cutoff:3.500A) Processing sheet with id=AH8, first strand: chain 'K' and resid 169 through 170 removed outlier: 7.313A pdb=" N SER K 335 " --> pdb=" O ASN K 342 " (cutoff:3.500A) Processing sheet with id=AH9, first strand: chain 'K' and resid 257 through 262 removed outlier: 3.577A pdb=" N HIS K 257 " --> pdb=" O HIS K 368 " (cutoff:3.500A) Processing sheet with id=AI1, first strand: chain 'L' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR L 292 " --> pdb=" O ASN L 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN L 130 " --> pdb=" O THR L 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU L 294 " --> pdb=" O LEU L 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU L 128 " --> pdb=" O GLU L 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU L 296 " --> pdb=" O TYR L 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR L 126 " --> pdb=" O GLU L 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU L 298 " --> pdb=" O VAL L 124 " (cutoff:3.500A) removed outlier: 5.871A pdb=" N VAL L 124 " --> pdb=" O GLU L 298 " (cutoff:3.500A) Processing sheet with id=AI2, first strand: chain 'L' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR L 292 " --> pdb=" O ASN L 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN L 130 " --> pdb=" O THR L 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU L 294 " --> pdb=" O LEU L 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU L 128 " --> pdb=" O GLU L 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU L 296 " --> pdb=" O TYR L 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR L 126 " --> pdb=" O GLU L 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU L 298 " --> pdb=" O VAL L 124 " (cutoff:3.500A) removed outlier: 5.871A pdb=" N VAL L 124 " --> pdb=" O GLU L 298 " (cutoff:3.500A) Processing sheet with id=AI3, first strand: chain 'L' and resid 169 through 170 removed outlier: 4.247A pdb=" N TRP L 178 " --> pdb=" O ILE L 341 " (cutoff:3.500A) Processing sheet with id=AI4, first strand: chain 'L' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER L 335 " --> pdb=" O ASN L 342 " (cutoff:3.500A) Processing sheet with id=AI5, first strand: chain 'L' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS L 257 " --> pdb=" O HIS L 368 " (cutoff:3.500A) Processing sheet with id=AI6, first strand: chain 'M' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR M 292 " --> pdb=" O ASN M 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN M 130 " --> pdb=" O THR M 292 " (cutoff:3.500A) removed outlier: 7.108A pdb=" N GLU M 294 " --> pdb=" O LEU M 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU M 128 " --> pdb=" O GLU M 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU M 296 " --> pdb=" O TYR M 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR M 126 " --> pdb=" O GLU M 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU M 298 " --> pdb=" O VAL M 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL M 124 " --> pdb=" O GLU M 298 " (cutoff:3.500A) Processing sheet with id=AI7, first strand: chain 'M' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR M 292 " --> pdb=" O ASN M 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN M 130 " --> pdb=" O THR M 292 " (cutoff:3.500A) removed outlier: 7.108A pdb=" N GLU M 294 " --> pdb=" O LEU M 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU M 128 " --> pdb=" O GLU M 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU M 296 " --> pdb=" O TYR M 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR M 126 " --> pdb=" O GLU M 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU M 298 " --> pdb=" O VAL M 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL M 124 " --> pdb=" O GLU M 298 " (cutoff:3.500A) Processing sheet with id=AI8, first strand: chain 'M' and resid 189 through 191 removed outlier: 3.724A pdb=" N GLY M 270 " --> pdb=" O ASP M 162 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N TRP 7 47 " --> pdb=" O TYR M 210 " (cutoff:3.500A) Processing sheet with id=AI9, first strand: chain 'M' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP M 178 " --> pdb=" O ILE M 341 " (cutoff:3.500A) Processing sheet with id=AJ1, first strand: chain 'M' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER M 335 " --> pdb=" O ASN M 342 " (cutoff:3.500A) Processing sheet with id=AJ2, first strand: chain 'M' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS M 257 " --> pdb=" O HIS M 368 " (cutoff:3.500A) Processing sheet with id=AJ3, first strand: chain 'N' and resid 47 through 48 removed outlier: 3.742A pdb=" N TRP N 47 " --> pdb=" O TYR P 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY P 270 " --> pdb=" O ASP P 162 " (cutoff:3.500A) Processing sheet with id=AJ4, first strand: chain 'N' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR N 292 " --> pdb=" O ASN N 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN N 130 " --> pdb=" O THR N 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU N 294 " --> pdb=" O LEU N 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU N 128 " --> pdb=" O GLU N 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU N 296 " --> pdb=" O TYR N 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR N 126 " --> pdb=" O GLU N 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU N 298 " --> pdb=" O VAL N 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL N 124 " --> pdb=" O GLU N 298 " (cutoff:3.500A) Processing sheet with id=AJ5, first strand: chain 'N' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR N 292 " --> pdb=" O ASN N 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN N 130 " --> pdb=" O THR N 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU N 294 " --> pdb=" O LEU N 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU N 128 " --> pdb=" O GLU N 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU N 296 " --> pdb=" O TYR N 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR N 126 " --> pdb=" O GLU N 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU N 298 " --> pdb=" O VAL N 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL N 124 " --> pdb=" O GLU N 298 " (cutoff:3.500A) Processing sheet with id=AJ6, first strand: chain 'N' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP N 178 " --> pdb=" O ILE N 341 " (cutoff:3.500A) Processing sheet with id=AJ7, first strand: chain 'N' and resid 169 through 170 removed outlier: 7.311A pdb=" N SER N 335 " --> pdb=" O ASN N 342 " (cutoff:3.500A) Processing sheet with id=AJ8, first strand: chain 'N' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS N 257 " --> pdb=" O HIS N 368 " (cutoff:3.500A) Processing sheet with id=AJ9, first strand: chain 'O' and resid 47 through 48 removed outlier: 3.740A pdb=" N TRP O 47 " --> pdb=" O TYR g 210 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N GLY g 270 " --> pdb=" O ASP g 162 " (cutoff:3.500A) Processing sheet with id=AK1, first strand: chain 'O' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR O 292 " --> pdb=" O ASN O 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN O 130 " --> pdb=" O THR O 292 " (cutoff:3.500A) removed outlier: 7.110A pdb=" N GLU O 294 " --> pdb=" O LEU O 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU O 128 " --> pdb=" O GLU O 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU O 296 " --> pdb=" O TYR O 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR O 126 " --> pdb=" O GLU O 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU O 298 " --> pdb=" O VAL O 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL O 124 " --> pdb=" O GLU O 298 " (cutoff:3.500A) Processing sheet with id=AK2, first strand: chain 'O' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR O 292 " --> pdb=" O ASN O 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN O 130 " --> pdb=" O THR O 292 " (cutoff:3.500A) removed outlier: 7.110A pdb=" N GLU O 294 " --> pdb=" O LEU O 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU O 128 " --> pdb=" O GLU O 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU O 296 " --> pdb=" O TYR O 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR O 126 " --> pdb=" O GLU O 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU O 298 " --> pdb=" O VAL O 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL O 124 " --> pdb=" O GLU O 298 " (cutoff:3.500A) Processing sheet with id=AK3, first strand: chain 'O' and resid 189 through 191 removed outlier: 3.724A pdb=" N GLY O 270 " --> pdb=" O ASP O 162 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N TRP h 47 " --> pdb=" O TYR O 210 " (cutoff:3.500A) Processing sheet with id=AK4, first strand: chain 'O' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP O 178 " --> pdb=" O ILE O 341 " (cutoff:3.500A) Processing sheet with id=AK5, first strand: chain 'O' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER O 335 " --> pdb=" O ASN O 342 " (cutoff:3.500A) Processing sheet with id=AK6, first strand: chain 'O' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS O 257 " --> pdb=" O HIS O 368 " (cutoff:3.500A) Processing sheet with id=AK7, first strand: chain 'P' and resid 59 through 72 removed outlier: 4.518A pdb=" N THR P 292 " --> pdb=" O ASN P 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN P 130 " --> pdb=" O THR P 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU P 294 " --> pdb=" O LEU P 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU P 128 " --> pdb=" O GLU P 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU P 296 " --> pdb=" O TYR P 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR P 126 " --> pdb=" O GLU P 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU P 298 " --> pdb=" O VAL P 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL P 124 " --> pdb=" O GLU P 298 " (cutoff:3.500A) Processing sheet with id=AK8, first strand: chain 'P' and resid 118 through 120 removed outlier: 4.518A pdb=" N THR P 292 " --> pdb=" O ASN P 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN P 130 " --> pdb=" O THR P 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU P 294 " --> pdb=" O LEU P 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU P 128 " --> pdb=" O GLU P 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU P 296 " --> pdb=" O TYR P 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR P 126 " --> pdb=" O GLU P 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU P 298 " --> pdb=" O VAL P 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL P 124 " --> pdb=" O GLU P 298 " (cutoff:3.500A) Processing sheet with id=AK9, first strand: chain 'P' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP P 178 " --> pdb=" O ILE P 341 " (cutoff:3.500A) Processing sheet with id=AL1, first strand: chain 'P' and resid 169 through 170 removed outlier: 7.311A pdb=" N SER P 335 " --> pdb=" O ASN P 342 " (cutoff:3.500A) Processing sheet with id=AL2, first strand: chain 'P' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS P 257 " --> pdb=" O HIS P 368 " (cutoff:3.500A) Processing sheet with id=AL3, first strand: chain 'Q' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR Q 292 " --> pdb=" O ASN Q 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN Q 130 " --> pdb=" O THR Q 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU Q 294 " --> pdb=" O LEU Q 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU Q 128 " --> pdb=" O GLU Q 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU Q 296 " --> pdb=" O TYR Q 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR Q 126 " --> pdb=" O GLU Q 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU Q 298 " --> pdb=" O VAL Q 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL Q 124 " --> pdb=" O GLU Q 298 " (cutoff:3.500A) Processing sheet with id=AL4, first strand: chain 'Q' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR Q 292 " --> pdb=" O ASN Q 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN Q 130 " --> pdb=" O THR Q 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU Q 294 " --> pdb=" O LEU Q 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU Q 128 " --> pdb=" O GLU Q 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU Q 296 " --> pdb=" O TYR Q 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR Q 126 " --> pdb=" O GLU Q 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU Q 298 " --> pdb=" O VAL Q 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL Q 124 " --> pdb=" O GLU Q 298 " (cutoff:3.500A) Processing sheet with id=AL5, first strand: chain 'Q' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP Q 178 " --> pdb=" O ILE Q 341 " (cutoff:3.500A) Processing sheet with id=AL6, first strand: chain 'Q' and resid 169 through 170 removed outlier: 7.311A pdb=" N SER Q 335 " --> pdb=" O ASN Q 342 " (cutoff:3.500A) Processing sheet with id=AL7, first strand: chain 'Q' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS Q 257 " --> pdb=" O HIS Q 368 " (cutoff:3.500A) Processing sheet with id=AL8, first strand: chain 'R' and resid 47 through 48 removed outlier: 3.743A pdb=" N TRP R 47 " --> pdb=" O TYR S 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY S 270 " --> pdb=" O ASP S 162 " (cutoff:3.500A) Processing sheet with id=AL9, first strand: chain 'R' and resid 59 through 72 removed outlier: 4.518A pdb=" N THR R 292 " --> pdb=" O ASN R 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN R 130 " --> pdb=" O THR R 292 " (cutoff:3.500A) removed outlier: 7.108A pdb=" N GLU R 294 " --> pdb=" O LEU R 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU R 128 " --> pdb=" O GLU R 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU R 296 " --> pdb=" O TYR R 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR R 126 " --> pdb=" O GLU R 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU R 298 " --> pdb=" O VAL R 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL R 124 " --> pdb=" O GLU R 298 " (cutoff:3.500A) Processing sheet with id=AM1, first strand: chain 'R' and resid 118 through 120 removed outlier: 4.518A pdb=" N THR R 292 " --> pdb=" O ASN R 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN R 130 " --> pdb=" O THR R 292 " (cutoff:3.500A) removed outlier: 7.108A pdb=" N GLU R 294 " --> pdb=" O LEU R 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU R 128 " --> pdb=" O GLU R 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU R 296 " --> pdb=" O TYR R 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR R 126 " --> pdb=" O GLU R 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU R 298 " --> pdb=" O VAL R 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL R 124 " --> pdb=" O GLU R 298 " (cutoff:3.500A) Processing sheet with id=AM2, first strand: chain 'R' and resid 189 through 191 removed outlier: 3.724A pdb=" N GLY R 270 " --> pdb=" O ASP R 162 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N TRP U 47 " --> pdb=" O TYR R 210 " (cutoff:3.500A) Processing sheet with id=AM3, first strand: chain 'R' and resid 169 through 170 removed outlier: 4.247A pdb=" N TRP R 178 " --> pdb=" O ILE R 341 " (cutoff:3.500A) Processing sheet with id=AM4, first strand: chain 'R' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER R 335 " --> pdb=" O ASN R 342 " (cutoff:3.500A) Processing sheet with id=AM5, first strand: chain 'R' and resid 257 through 262 removed outlier: 3.575A pdb=" N HIS R 257 " --> pdb=" O HIS R 368 " (cutoff:3.500A) Processing sheet with id=AM6, first strand: chain 'S' and resid 47 through 48 removed outlier: 3.741A pdb=" N TRP S 47 " --> pdb=" O TYR U 210 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N GLY U 270 " --> pdb=" O ASP U 162 " (cutoff:3.500A) Processing sheet with id=AM7, first strand: chain 'S' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR S 292 " --> pdb=" O ASN S 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN S 130 " --> pdb=" O THR S 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU S 294 " --> pdb=" O LEU S 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU S 128 " --> pdb=" O GLU S 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU S 296 " --> pdb=" O TYR S 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR S 126 " --> pdb=" O GLU S 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU S 298 " --> pdb=" O VAL S 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL S 124 " --> pdb=" O GLU S 298 " (cutoff:3.500A) Processing sheet with id=AM8, first strand: chain 'S' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR S 292 " --> pdb=" O ASN S 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN S 130 " --> pdb=" O THR S 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU S 294 " --> pdb=" O LEU S 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU S 128 " --> pdb=" O GLU S 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU S 296 " --> pdb=" O TYR S 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR S 126 " --> pdb=" O GLU S 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU S 298 " --> pdb=" O VAL S 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL S 124 " --> pdb=" O GLU S 298 " (cutoff:3.500A) Processing sheet with id=AM9, first strand: chain 'S' and resid 169 through 170 removed outlier: 4.247A pdb=" N TRP S 178 " --> pdb=" O ILE S 341 " (cutoff:3.500A) Processing sheet with id=AN1, first strand: chain 'S' and resid 169 through 170 removed outlier: 7.313A pdb=" N SER S 335 " --> pdb=" O ASN S 342 " (cutoff:3.500A) Processing sheet with id=AN2, first strand: chain 'S' and resid 257 through 262 removed outlier: 3.577A pdb=" N HIS S 257 " --> pdb=" O HIS S 368 " (cutoff:3.500A) Processing sheet with id=AN3, first strand: chain 'T' and resid 47 through 48 removed outlier: 3.738A pdb=" N TRP T 47 " --> pdb=" O TYR 5 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY 5 270 " --> pdb=" O ASP 5 162 " (cutoff:3.500A) Processing sheet with id=AN4, first strand: chain 'T' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR T 292 " --> pdb=" O ASN T 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN T 130 " --> pdb=" O THR T 292 " (cutoff:3.500A) removed outlier: 7.110A pdb=" N GLU T 294 " --> pdb=" O LEU T 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU T 128 " --> pdb=" O GLU T 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU T 296 " --> pdb=" O TYR T 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR T 126 " --> pdb=" O GLU T 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU T 298 " --> pdb=" O VAL T 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL T 124 " --> pdb=" O GLU T 298 " (cutoff:3.500A) Processing sheet with id=AN5, first strand: chain 'T' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR T 292 " --> pdb=" O ASN T 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN T 130 " --> pdb=" O THR T 292 " (cutoff:3.500A) removed outlier: 7.110A pdb=" N GLU T 294 " --> pdb=" O LEU T 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU T 128 " --> pdb=" O GLU T 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU T 296 " --> pdb=" O TYR T 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR T 126 " --> pdb=" O GLU T 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU T 298 " --> pdb=" O VAL T 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL T 124 " --> pdb=" O GLU T 298 " (cutoff:3.500A) Processing sheet with id=AN6, first strand: chain 'T' and resid 189 through 191 removed outlier: 3.723A pdb=" N GLY T 270 " --> pdb=" O ASP T 162 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N TRP f 47 " --> pdb=" O TYR T 210 " (cutoff:3.500A) Processing sheet with id=AN7, first strand: chain 'T' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP T 178 " --> pdb=" O ILE T 341 " (cutoff:3.500A) Processing sheet with id=AN8, first strand: chain 'T' and resid 169 through 170 removed outlier: 7.313A pdb=" N SER T 335 " --> pdb=" O ASN T 342 " (cutoff:3.500A) Processing sheet with id=AN9, first strand: chain 'T' and resid 257 through 262 removed outlier: 3.577A pdb=" N HIS T 257 " --> pdb=" O HIS T 368 " (cutoff:3.500A) Processing sheet with id=AO1, first strand: chain 'U' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR U 292 " --> pdb=" O ASN U 130 " (cutoff:3.500A) removed outlier: 5.816A pdb=" N ASN U 130 " --> pdb=" O THR U 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU U 294 " --> pdb=" O LEU U 128 " (cutoff:3.500A) removed outlier: 5.422A pdb=" N LEU U 128 " --> pdb=" O GLU U 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU U 296 " --> pdb=" O TYR U 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR U 126 " --> pdb=" O GLU U 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU U 298 " --> pdb=" O VAL U 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL U 124 " --> pdb=" O GLU U 298 " (cutoff:3.500A) Processing sheet with id=AO2, first strand: chain 'U' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR U 292 " --> pdb=" O ASN U 130 " (cutoff:3.500A) removed outlier: 5.816A pdb=" N ASN U 130 " --> pdb=" O THR U 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU U 294 " --> pdb=" O LEU U 128 " (cutoff:3.500A) removed outlier: 5.422A pdb=" N LEU U 128 " --> pdb=" O GLU U 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU U 296 " --> pdb=" O TYR U 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR U 126 " --> pdb=" O GLU U 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU U 298 " --> pdb=" O VAL U 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL U 124 " --> pdb=" O GLU U 298 " (cutoff:3.500A) Processing sheet with id=AO3, first strand: chain 'U' and resid 169 through 170 removed outlier: 4.247A pdb=" N TRP U 178 " --> pdb=" O ILE U 341 " (cutoff:3.500A) Processing sheet with id=AO4, first strand: chain 'U' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER U 335 " --> pdb=" O ASN U 342 " (cutoff:3.500A) Processing sheet with id=AO5, first strand: chain 'U' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS U 257 " --> pdb=" O HIS U 368 " (cutoff:3.500A) Processing sheet with id=AO6, first strand: chain 'V' and resid 47 through 48 removed outlier: 3.738A pdb=" N TRP V 47 " --> pdb=" O TYR 4 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY 4 270 " --> pdb=" O ASP 4 162 " (cutoff:3.500A) Processing sheet with id=AO7, first strand: chain 'V' and resid 59 through 72 removed outlier: 4.518A pdb=" N THR V 292 " --> pdb=" O ASN V 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN V 130 " --> pdb=" O THR V 292 " (cutoff:3.500A) removed outlier: 7.110A pdb=" N GLU V 294 " --> pdb=" O LEU V 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU V 128 " --> pdb=" O GLU V 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU V 296 " --> pdb=" O TYR V 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR V 126 " --> pdb=" O GLU V 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU V 298 " --> pdb=" O VAL V 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL V 124 " --> pdb=" O GLU V 298 " (cutoff:3.500A) Processing sheet with id=AO8, first strand: chain 'V' and resid 118 through 120 removed outlier: 4.518A pdb=" N THR V 292 " --> pdb=" O ASN V 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN V 130 " --> pdb=" O THR V 292 " (cutoff:3.500A) removed outlier: 7.110A pdb=" N GLU V 294 " --> pdb=" O LEU V 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU V 128 " --> pdb=" O GLU V 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU V 296 " --> pdb=" O TYR V 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR V 126 " --> pdb=" O GLU V 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU V 298 " --> pdb=" O VAL V 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL V 124 " --> pdb=" O GLU V 298 " (cutoff:3.500A) Processing sheet with id=AO9, first strand: chain 'V' and resid 189 through 191 removed outlier: 3.723A pdb=" N GLY V 270 " --> pdb=" O ASP V 162 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N TRP X 47 " --> pdb=" O TYR V 210 " (cutoff:3.500A) Processing sheet with id=AP1, first strand: chain 'V' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP V 178 " --> pdb=" O ILE V 341 " (cutoff:3.500A) Processing sheet with id=AP2, first strand: chain 'V' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER V 335 " --> pdb=" O ASN V 342 " (cutoff:3.500A) Processing sheet with id=AP3, first strand: chain 'V' and resid 257 through 262 removed outlier: 3.577A pdb=" N HIS V 257 " --> pdb=" O HIS V 368 " (cutoff:3.500A) Processing sheet with id=AP4, first strand: chain 'W' and resid 47 through 48 removed outlier: 3.740A pdb=" N TRP W 47 " --> pdb=" O TYR Y 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY Y 270 " --> pdb=" O ASP Y 162 " (cutoff:3.500A) Processing sheet with id=AP5, first strand: chain 'W' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR W 292 " --> pdb=" O ASN W 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN W 130 " --> pdb=" O THR W 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU W 294 " --> pdb=" O LEU W 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU W 128 " --> pdb=" O GLU W 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU W 296 " --> pdb=" O TYR W 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR W 126 " --> pdb=" O GLU W 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU W 298 " --> pdb=" O VAL W 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL W 124 " --> pdb=" O GLU W 298 " (cutoff:3.500A) Processing sheet with id=AP6, first strand: chain 'W' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR W 292 " --> pdb=" O ASN W 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN W 130 " --> pdb=" O THR W 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU W 294 " --> pdb=" O LEU W 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU W 128 " --> pdb=" O GLU W 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU W 296 " --> pdb=" O TYR W 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR W 126 " --> pdb=" O GLU W 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU W 298 " --> pdb=" O VAL W 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL W 124 " --> pdb=" O GLU W 298 " (cutoff:3.500A) Processing sheet with id=AP7, first strand: chain 'W' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP W 178 " --> pdb=" O ILE W 341 " (cutoff:3.500A) Processing sheet with id=AP8, first strand: chain 'W' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER W 335 " --> pdb=" O ASN W 342 " (cutoff:3.500A) Processing sheet with id=AP9, first strand: chain 'W' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS W 257 " --> pdb=" O HIS W 368 " (cutoff:3.500A) Processing sheet with id=AQ1, first strand: chain 'X' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR X 292 " --> pdb=" O ASN X 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN X 130 " --> pdb=" O THR X 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU X 294 " --> pdb=" O LEU X 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU X 128 " --> pdb=" O GLU X 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU X 296 " --> pdb=" O TYR X 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR X 126 " --> pdb=" O GLU X 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU X 298 " --> pdb=" O VAL X 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL X 124 " --> pdb=" O GLU X 298 " (cutoff:3.500A) Processing sheet with id=AQ2, first strand: chain 'X' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR X 292 " --> pdb=" O ASN X 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN X 130 " --> pdb=" O THR X 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU X 294 " --> pdb=" O LEU X 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU X 128 " --> pdb=" O GLU X 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU X 296 " --> pdb=" O TYR X 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR X 126 " --> pdb=" O GLU X 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU X 298 " --> pdb=" O VAL X 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL X 124 " --> pdb=" O GLU X 298 " (cutoff:3.500A) Processing sheet with id=AQ3, first strand: chain 'X' and resid 189 through 191 removed outlier: 3.724A pdb=" N GLY X 270 " --> pdb=" O ASP X 162 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N TRP 4 47 " --> pdb=" O TYR X 210 " (cutoff:3.500A) Processing sheet with id=AQ4, first strand: chain 'X' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP X 178 " --> pdb=" O ILE X 341 " (cutoff:3.500A) Processing sheet with id=AQ5, first strand: chain 'X' and resid 169 through 170 removed outlier: 7.311A pdb=" N SER X 335 " --> pdb=" O ASN X 342 " (cutoff:3.500A) Processing sheet with id=AQ6, first strand: chain 'X' and resid 257 through 262 removed outlier: 3.575A pdb=" N HIS X 257 " --> pdb=" O HIS X 368 " (cutoff:3.500A) Processing sheet with id=AQ7, first strand: chain 'Y' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR Y 292 " --> pdb=" O ASN Y 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN Y 130 " --> pdb=" O THR Y 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU Y 294 " --> pdb=" O LEU Y 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU Y 128 " --> pdb=" O GLU Y 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU Y 296 " --> pdb=" O TYR Y 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR Y 126 " --> pdb=" O GLU Y 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU Y 298 " --> pdb=" O VAL Y 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL Y 124 " --> pdb=" O GLU Y 298 " (cutoff:3.500A) Processing sheet with id=AQ8, first strand: chain 'Y' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR Y 292 " --> pdb=" O ASN Y 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN Y 130 " --> pdb=" O THR Y 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU Y 294 " --> pdb=" O LEU Y 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU Y 128 " --> pdb=" O GLU Y 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU Y 296 " --> pdb=" O TYR Y 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR Y 126 " --> pdb=" O GLU Y 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU Y 298 " --> pdb=" O VAL Y 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL Y 124 " --> pdb=" O GLU Y 298 " (cutoff:3.500A) Processing sheet with id=AQ9, first strand: chain 'Y' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP Y 178 " --> pdb=" O ILE Y 341 " (cutoff:3.500A) Processing sheet with id=AR1, first strand: chain 'Y' and resid 169 through 170 removed outlier: 7.311A pdb=" N SER Y 335 " --> pdb=" O ASN Y 342 " (cutoff:3.500A) Processing sheet with id=AR2, first strand: chain 'Y' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS Y 257 " --> pdb=" O HIS Y 368 " (cutoff:3.500A) Processing sheet with id=AR3, first strand: chain 'Z' and resid 47 through 48 removed outlier: 3.740A pdb=" N TRP Z 47 " --> pdb=" O TYR x 210 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N GLY x 270 " --> pdb=" O ASP x 162 " (cutoff:3.500A) Processing sheet with id=AR4, first strand: chain 'Z' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR Z 292 " --> pdb=" O ASN Z 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN Z 130 " --> pdb=" O THR Z 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU Z 294 " --> pdb=" O LEU Z 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU Z 128 " --> pdb=" O GLU Z 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU Z 296 " --> pdb=" O TYR Z 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR Z 126 " --> pdb=" O GLU Z 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU Z 298 " --> pdb=" O VAL Z 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL Z 124 " --> pdb=" O GLU Z 298 " (cutoff:3.500A) Processing sheet with id=AR5, first strand: chain 'Z' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR Z 292 " --> pdb=" O ASN Z 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN Z 130 " --> pdb=" O THR Z 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU Z 294 " --> pdb=" O LEU Z 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU Z 128 " --> pdb=" O GLU Z 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU Z 296 " --> pdb=" O TYR Z 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR Z 126 " --> pdb=" O GLU Z 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU Z 298 " --> pdb=" O VAL Z 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL Z 124 " --> pdb=" O GLU Z 298 " (cutoff:3.500A) Processing sheet with id=AR6, first strand: chain 'Z' and resid 189 through 191 removed outlier: 3.724A pdb=" N GLY Z 270 " --> pdb=" O ASP Z 162 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N TRP w 47 " --> pdb=" O TYR Z 210 " (cutoff:3.500A) Processing sheet with id=AR7, first strand: chain 'Z' and resid 169 through 170 removed outlier: 4.249A pdb=" N TRP Z 178 " --> pdb=" O ILE Z 341 " (cutoff:3.500A) Processing sheet with id=AR8, first strand: chain 'Z' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER Z 335 " --> pdb=" O ASN Z 342 " (cutoff:3.500A) Processing sheet with id=AR9, first strand: chain 'Z' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS Z 257 " --> pdb=" O HIS Z 368 " (cutoff:3.500A) Processing sheet with id=AS1, first strand: chain '8' and resid 47 through 48 removed outlier: 3.754A pdb=" N TRP 8 47 " --> pdb=" O TYR 2 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY 2 270 " --> pdb=" O ASP 2 162 " (cutoff:3.500A) Processing sheet with id=AS2, first strand: chain '8' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR 8 292 " --> pdb=" O ASN 8 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN 8 130 " --> pdb=" O THR 8 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU 8 294 " --> pdb=" O LEU 8 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU 8 128 " --> pdb=" O GLU 8 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU 8 296 " --> pdb=" O TYR 8 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR 8 126 " --> pdb=" O GLU 8 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU 8 298 " --> pdb=" O VAL 8 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL 8 124 " --> pdb=" O GLU 8 298 " (cutoff:3.500A) Processing sheet with id=AS3, first strand: chain '8' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR 8 292 " --> pdb=" O ASN 8 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN 8 130 " --> pdb=" O THR 8 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU 8 294 " --> pdb=" O LEU 8 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU 8 128 " --> pdb=" O GLU 8 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU 8 296 " --> pdb=" O TYR 8 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR 8 126 " --> pdb=" O GLU 8 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU 8 298 " --> pdb=" O VAL 8 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL 8 124 " --> pdb=" O GLU 8 298 " (cutoff:3.500A) Processing sheet with id=AS4, first strand: chain '8' and resid 169 through 170 removed outlier: 4.247A pdb=" N TRP 8 178 " --> pdb=" O ILE 8 341 " (cutoff:3.500A) Processing sheet with id=AS5, first strand: chain '8' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER 8 335 " --> pdb=" O ASN 8 342 " (cutoff:3.500A) Processing sheet with id=AS6, first strand: chain '8' and resid 257 through 262 removed outlier: 3.577A pdb=" N HIS 8 257 " --> pdb=" O HIS 8 368 " (cutoff:3.500A) Processing sheet with id=AS7, first strand: chain '7' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR 7 292 " --> pdb=" O ASN 7 130 " (cutoff:3.500A) removed outlier: 5.816A pdb=" N ASN 7 130 " --> pdb=" O THR 7 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU 7 294 " --> pdb=" O LEU 7 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU 7 128 " --> pdb=" O GLU 7 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU 7 296 " --> pdb=" O TYR 7 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR 7 126 " --> pdb=" O GLU 7 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU 7 298 " --> pdb=" O VAL 7 124 " (cutoff:3.500A) removed outlier: 5.869A pdb=" N VAL 7 124 " --> pdb=" O GLU 7 298 " (cutoff:3.500A) Processing sheet with id=AS8, first strand: chain '7' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR 7 292 " --> pdb=" O ASN 7 130 " (cutoff:3.500A) removed outlier: 5.816A pdb=" N ASN 7 130 " --> pdb=" O THR 7 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU 7 294 " --> pdb=" O LEU 7 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU 7 128 " --> pdb=" O GLU 7 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU 7 296 " --> pdb=" O TYR 7 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR 7 126 " --> pdb=" O GLU 7 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU 7 298 " --> pdb=" O VAL 7 124 " (cutoff:3.500A) removed outlier: 5.869A pdb=" N VAL 7 124 " --> pdb=" O GLU 7 298 " (cutoff:3.500A) Processing sheet with id=AS9, first strand: chain '7' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP 7 178 " --> pdb=" O ILE 7 341 " (cutoff:3.500A) Processing sheet with id=AT1, first strand: chain '7' and resid 169 through 170 removed outlier: 7.311A pdb=" N SER 7 335 " --> pdb=" O ASN 7 342 " (cutoff:3.500A) Processing sheet with id=AT2, first strand: chain '7' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS 7 257 " --> pdb=" O HIS 7 368 " (cutoff:3.500A) Processing sheet with id=AT3, first strand: chain '6' and resid 47 through 48 removed outlier: 3.738A pdb=" N TRP 6 47 " --> pdb=" O TYR i 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY i 270 " --> pdb=" O ASP i 162 " (cutoff:3.500A) Processing sheet with id=AT4, first strand: chain '6' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR 6 292 " --> pdb=" O ASN 6 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN 6 130 " --> pdb=" O THR 6 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU 6 294 " --> pdb=" O LEU 6 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU 6 128 " --> pdb=" O GLU 6 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU 6 296 " --> pdb=" O TYR 6 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR 6 126 " --> pdb=" O GLU 6 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU 6 298 " --> pdb=" O VAL 6 124 " (cutoff:3.500A) removed outlier: 5.869A pdb=" N VAL 6 124 " --> pdb=" O GLU 6 298 " (cutoff:3.500A) Processing sheet with id=AT5, first strand: chain '6' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR 6 292 " --> pdb=" O ASN 6 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN 6 130 " --> pdb=" O THR 6 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU 6 294 " --> pdb=" O LEU 6 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU 6 128 " --> pdb=" O GLU 6 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU 6 296 " --> pdb=" O TYR 6 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR 6 126 " --> pdb=" O GLU 6 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU 6 298 " --> pdb=" O VAL 6 124 " (cutoff:3.500A) removed outlier: 5.869A pdb=" N VAL 6 124 " --> pdb=" O GLU 6 298 " (cutoff:3.500A) Processing sheet with id=AT6, first strand: chain '6' and resid 189 through 191 removed outlier: 3.724A pdb=" N GLY 6 270 " --> pdb=" O ASP 6 162 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N TRP j 47 " --> pdb=" O TYR 6 210 " (cutoff:3.500A) Processing sheet with id=AT7, first strand: chain '6' and resid 169 through 170 removed outlier: 4.247A pdb=" N TRP 6 178 " --> pdb=" O ILE 6 341 " (cutoff:3.500A) Processing sheet with id=AT8, first strand: chain '6' and resid 169 through 170 removed outlier: 7.311A pdb=" N SER 6 335 " --> pdb=" O ASN 6 342 " (cutoff:3.500A) Processing sheet with id=AT9, first strand: chain '6' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS 6 257 " --> pdb=" O HIS 6 368 " (cutoff:3.500A) Processing sheet with id=AU1, first strand: chain '5' and resid 47 through 48 removed outlier: 3.753A pdb=" N TRP 5 47 " --> pdb=" O TYR f 210 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N GLY f 270 " --> pdb=" O ASP f 162 " (cutoff:3.500A) Processing sheet with id=AU2, first strand: chain '5' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR 5 292 " --> pdb=" O ASN 5 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN 5 130 " --> pdb=" O THR 5 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU 5 294 " --> pdb=" O LEU 5 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU 5 128 " --> pdb=" O GLU 5 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU 5 296 " --> pdb=" O TYR 5 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR 5 126 " --> pdb=" O GLU 5 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU 5 298 " --> pdb=" O VAL 5 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL 5 124 " --> pdb=" O GLU 5 298 " (cutoff:3.500A) Processing sheet with id=AU3, first strand: chain '5' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR 5 292 " --> pdb=" O ASN 5 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN 5 130 " --> pdb=" O THR 5 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU 5 294 " --> pdb=" O LEU 5 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU 5 128 " --> pdb=" O GLU 5 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU 5 296 " --> pdb=" O TYR 5 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR 5 126 " --> pdb=" O GLU 5 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU 5 298 " --> pdb=" O VAL 5 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL 5 124 " --> pdb=" O GLU 5 298 " (cutoff:3.500A) Processing sheet with id=AU4, first strand: chain '5' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP 5 178 " --> pdb=" O ILE 5 341 " (cutoff:3.500A) Processing sheet with id=AU5, first strand: chain '5' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER 5 335 " --> pdb=" O ASN 5 342 " (cutoff:3.500A) Processing sheet with id=AU6, first strand: chain '5' and resid 257 through 262 removed outlier: 3.575A pdb=" N HIS 5 257 " --> pdb=" O HIS 5 368 " (cutoff:3.500A) Processing sheet with id=AU7, first strand: chain '4' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR 4 292 " --> pdb=" O ASN 4 130 " (cutoff:3.500A) removed outlier: 5.816A pdb=" N ASN 4 130 " --> pdb=" O THR 4 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU 4 294 " --> pdb=" O LEU 4 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU 4 128 " --> pdb=" O GLU 4 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU 4 296 " --> pdb=" O TYR 4 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR 4 126 " --> pdb=" O GLU 4 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU 4 298 " --> pdb=" O VAL 4 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL 4 124 " --> pdb=" O GLU 4 298 " (cutoff:3.500A) Processing sheet with id=AU8, first strand: chain '4' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR 4 292 " --> pdb=" O ASN 4 130 " (cutoff:3.500A) removed outlier: 5.816A pdb=" N ASN 4 130 " --> pdb=" O THR 4 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU 4 294 " --> pdb=" O LEU 4 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU 4 128 " --> pdb=" O GLU 4 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU 4 296 " --> pdb=" O TYR 4 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR 4 126 " --> pdb=" O GLU 4 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU 4 298 " --> pdb=" O VAL 4 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL 4 124 " --> pdb=" O GLU 4 298 " (cutoff:3.500A) Processing sheet with id=AU9, first strand: chain '4' and resid 169 through 170 removed outlier: 4.247A pdb=" N TRP 4 178 " --> pdb=" O ILE 4 341 " (cutoff:3.500A) Processing sheet with id=AV1, first strand: chain '4' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER 4 335 " --> pdb=" O ASN 4 342 " (cutoff:3.500A) Processing sheet with id=AV2, first strand: chain '4' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS 4 257 " --> pdb=" O HIS 4 368 " (cutoff:3.500A) Processing sheet with id=AV3, first strand: chain '3' and resid 47 through 48 removed outlier: 3.738A pdb=" N TRP 3 47 " --> pdb=" O TYR b 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY b 270 " --> pdb=" O ASP b 162 " (cutoff:3.500A) Processing sheet with id=AV4, first strand: chain '3' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR 3 292 " --> pdb=" O ASN 3 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN 3 130 " --> pdb=" O THR 3 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU 3 294 " --> pdb=" O LEU 3 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU 3 128 " --> pdb=" O GLU 3 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU 3 296 " --> pdb=" O TYR 3 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR 3 126 " --> pdb=" O GLU 3 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU 3 298 " --> pdb=" O VAL 3 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL 3 124 " --> pdb=" O GLU 3 298 " (cutoff:3.500A) Processing sheet with id=AV5, first strand: chain '3' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR 3 292 " --> pdb=" O ASN 3 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN 3 130 " --> pdb=" O THR 3 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU 3 294 " --> pdb=" O LEU 3 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU 3 128 " --> pdb=" O GLU 3 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU 3 296 " --> pdb=" O TYR 3 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR 3 126 " --> pdb=" O GLU 3 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU 3 298 " --> pdb=" O VAL 3 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL 3 124 " --> pdb=" O GLU 3 298 " (cutoff:3.500A) Processing sheet with id=AV6, first strand: chain '3' and resid 189 through 191 removed outlier: 3.723A pdb=" N GLY 3 270 " --> pdb=" O ASP 3 162 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N TRP a 47 " --> pdb=" O TYR 3 210 " (cutoff:3.500A) Processing sheet with id=AV7, first strand: chain '3' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP 3 178 " --> pdb=" O ILE 3 341 " (cutoff:3.500A) Processing sheet with id=AV8, first strand: chain '3' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER 3 335 " --> pdb=" O ASN 3 342 " (cutoff:3.500A) Processing sheet with id=AV9, first strand: chain '3' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS 3 257 " --> pdb=" O HIS 3 368 " (cutoff:3.500A) Processing sheet with id=AW1, first strand: chain 'a' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR a 292 " --> pdb=" O ASN a 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN a 130 " --> pdb=" O THR a 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU a 294 " --> pdb=" O LEU a 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU a 128 " --> pdb=" O GLU a 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU a 296 " --> pdb=" O TYR a 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR a 126 " --> pdb=" O GLU a 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU a 298 " --> pdb=" O VAL a 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL a 124 " --> pdb=" O GLU a 298 " (cutoff:3.500A) Processing sheet with id=AW2, first strand: chain 'a' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR a 292 " --> pdb=" O ASN a 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN a 130 " --> pdb=" O THR a 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU a 294 " --> pdb=" O LEU a 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU a 128 " --> pdb=" O GLU a 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU a 296 " --> pdb=" O TYR a 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR a 126 " --> pdb=" O GLU a 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU a 298 " --> pdb=" O VAL a 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL a 124 " --> pdb=" O GLU a 298 " (cutoff:3.500A) Processing sheet with id=AW3, first strand: chain 'a' and resid 189 through 191 removed outlier: 3.724A pdb=" N GLY a 270 " --> pdb=" O ASP a 162 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N TRP b 47 " --> pdb=" O TYR a 210 " (cutoff:3.500A) Processing sheet with id=AW4, first strand: chain 'a' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP a 178 " --> pdb=" O ILE a 341 " (cutoff:3.500A) Processing sheet with id=AW5, first strand: chain 'a' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER a 335 " --> pdb=" O ASN a 342 " (cutoff:3.500A) Processing sheet with id=AW6, first strand: chain 'a' and resid 257 through 262 removed outlier: 3.575A pdb=" N HIS a 257 " --> pdb=" O HIS a 368 " (cutoff:3.500A) Processing sheet with id=AW7, first strand: chain 'b' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR b 292 " --> pdb=" O ASN b 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN b 130 " --> pdb=" O THR b 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU b 294 " --> pdb=" O LEU b 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU b 128 " --> pdb=" O GLU b 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU b 296 " --> pdb=" O TYR b 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR b 126 " --> pdb=" O GLU b 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU b 298 " --> pdb=" O VAL b 124 " (cutoff:3.500A) removed outlier: 5.869A pdb=" N VAL b 124 " --> pdb=" O GLU b 298 " (cutoff:3.500A) Processing sheet with id=AW8, first strand: chain 'b' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR b 292 " --> pdb=" O ASN b 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN b 130 " --> pdb=" O THR b 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU b 294 " --> pdb=" O LEU b 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU b 128 " --> pdb=" O GLU b 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU b 296 " --> pdb=" O TYR b 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR b 126 " --> pdb=" O GLU b 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU b 298 " --> pdb=" O VAL b 124 " (cutoff:3.500A) removed outlier: 5.869A pdb=" N VAL b 124 " --> pdb=" O GLU b 298 " (cutoff:3.500A) Processing sheet with id=AW9, first strand: chain 'b' and resid 169 through 170 removed outlier: 4.247A pdb=" N TRP b 178 " --> pdb=" O ILE b 341 " (cutoff:3.500A) Processing sheet with id=AX1, first strand: chain 'b' and resid 169 through 170 removed outlier: 7.311A pdb=" N SER b 335 " --> pdb=" O ASN b 342 " (cutoff:3.500A) Processing sheet with id=AX2, first strand: chain 'b' and resid 257 through 262 removed outlier: 3.575A pdb=" N HIS b 257 " --> pdb=" O HIS b 368 " (cutoff:3.500A) Processing sheet with id=AX3, first strand: chain 'c' and resid 47 through 48 removed outlier: 3.741A pdb=" N TRP c 47 " --> pdb=" O TYR d 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY d 270 " --> pdb=" O ASP d 162 " (cutoff:3.500A) Processing sheet with id=AX4, first strand: chain 'c' and resid 59 through 72 removed outlier: 4.518A pdb=" N THR c 292 " --> pdb=" O ASN c 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN c 130 " --> pdb=" O THR c 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU c 294 " --> pdb=" O LEU c 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU c 128 " --> pdb=" O GLU c 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU c 296 " --> pdb=" O TYR c 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR c 126 " --> pdb=" O GLU c 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU c 298 " --> pdb=" O VAL c 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL c 124 " --> pdb=" O GLU c 298 " (cutoff:3.500A) Processing sheet with id=AX5, first strand: chain 'c' and resid 118 through 120 removed outlier: 4.518A pdb=" N THR c 292 " --> pdb=" O ASN c 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN c 130 " --> pdb=" O THR c 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU c 294 " --> pdb=" O LEU c 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU c 128 " --> pdb=" O GLU c 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU c 296 " --> pdb=" O TYR c 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR c 126 " --> pdb=" O GLU c 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU c 298 " --> pdb=" O VAL c 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL c 124 " --> pdb=" O GLU c 298 " (cutoff:3.500A) Processing sheet with id=AX6, first strand: chain 'c' and resid 189 through 191 removed outlier: 3.724A pdb=" N GLY c 270 " --> pdb=" O ASP c 162 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N TRP e 47 " --> pdb=" O TYR c 210 " (cutoff:3.500A) Processing sheet with id=AX7, first strand: chain 'c' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP c 178 " --> pdb=" O ILE c 341 " (cutoff:3.500A) Processing sheet with id=AX8, first strand: chain 'c' and resid 169 through 170 removed outlier: 7.311A pdb=" N SER c 335 " --> pdb=" O ASN c 342 " (cutoff:3.500A) Processing sheet with id=AX9, first strand: chain 'c' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS c 257 " --> pdb=" O HIS c 368 " (cutoff:3.500A) Processing sheet with id=AY1, first strand: chain 'd' and resid 47 through 48 removed outlier: 3.743A pdb=" N TRP d 47 " --> pdb=" O TYR e 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY e 270 " --> pdb=" O ASP e 162 " (cutoff:3.500A) Processing sheet with id=AY2, first strand: chain 'd' and resid 59 through 72 removed outlier: 4.518A pdb=" N THR d 292 " --> pdb=" O ASN d 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN d 130 " --> pdb=" O THR d 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU d 294 " --> pdb=" O LEU d 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU d 128 " --> pdb=" O GLU d 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU d 296 " --> pdb=" O TYR d 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR d 126 " --> pdb=" O GLU d 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU d 298 " --> pdb=" O VAL d 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL d 124 " --> pdb=" O GLU d 298 " (cutoff:3.500A) Processing sheet with id=AY3, first strand: chain 'd' and resid 118 through 120 removed outlier: 4.518A pdb=" N THR d 292 " --> pdb=" O ASN d 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN d 130 " --> pdb=" O THR d 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU d 294 " --> pdb=" O LEU d 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU d 128 " --> pdb=" O GLU d 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU d 296 " --> pdb=" O TYR d 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR d 126 " --> pdb=" O GLU d 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU d 298 " --> pdb=" O VAL d 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL d 124 " --> pdb=" O GLU d 298 " (cutoff:3.500A) Processing sheet with id=AY4, first strand: chain 'd' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP d 178 " --> pdb=" O ILE d 341 " (cutoff:3.500A) Processing sheet with id=AY5, first strand: chain 'd' and resid 169 through 170 removed outlier: 7.311A pdb=" N SER d 335 " --> pdb=" O ASN d 342 " (cutoff:3.500A) Processing sheet with id=AY6, first strand: chain 'd' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS d 257 " --> pdb=" O HIS d 368 " (cutoff:3.500A) Processing sheet with id=AY7, first strand: chain 'e' and resid 59 through 72 removed outlier: 4.518A pdb=" N THR e 292 " --> pdb=" O ASN e 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN e 130 " --> pdb=" O THR e 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU e 294 " --> pdb=" O LEU e 128 " (cutoff:3.500A) removed outlier: 5.422A pdb=" N LEU e 128 " --> pdb=" O GLU e 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU e 296 " --> pdb=" O TYR e 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR e 126 " --> pdb=" O GLU e 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU e 298 " --> pdb=" O VAL e 124 " (cutoff:3.500A) removed outlier: 5.871A pdb=" N VAL e 124 " --> pdb=" O GLU e 298 " (cutoff:3.500A) Processing sheet with id=AY8, first strand: chain 'e' and resid 118 through 120 removed outlier: 4.518A pdb=" N THR e 292 " --> pdb=" O ASN e 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN e 130 " --> pdb=" O THR e 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU e 294 " --> pdb=" O LEU e 128 " (cutoff:3.500A) removed outlier: 5.422A pdb=" N LEU e 128 " --> pdb=" O GLU e 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU e 296 " --> pdb=" O TYR e 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR e 126 " --> pdb=" O GLU e 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU e 298 " --> pdb=" O VAL e 124 " (cutoff:3.500A) removed outlier: 5.871A pdb=" N VAL e 124 " --> pdb=" O GLU e 298 " (cutoff:3.500A) Processing sheet with id=AY9, first strand: chain 'e' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP e 178 " --> pdb=" O ILE e 341 " (cutoff:3.500A) Processing sheet with id=AZ1, first strand: chain 'e' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER e 335 " --> pdb=" O ASN e 342 " (cutoff:3.500A) Processing sheet with id=AZ2, first strand: chain 'e' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS e 257 " --> pdb=" O HIS e 368 " (cutoff:3.500A) Processing sheet with id=AZ3, first strand: chain 'f' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR f 292 " --> pdb=" O ASN f 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN f 130 " --> pdb=" O THR f 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU f 294 " --> pdb=" O LEU f 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU f 128 " --> pdb=" O GLU f 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU f 296 " --> pdb=" O TYR f 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR f 126 " --> pdb=" O GLU f 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU f 298 " --> pdb=" O VAL f 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL f 124 " --> pdb=" O GLU f 298 " (cutoff:3.500A) Processing sheet with id=AZ4, first strand: chain 'f' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR f 292 " --> pdb=" O ASN f 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN f 130 " --> pdb=" O THR f 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU f 294 " --> pdb=" O LEU f 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU f 128 " --> pdb=" O GLU f 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU f 296 " --> pdb=" O TYR f 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR f 126 " --> pdb=" O GLU f 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU f 298 " --> pdb=" O VAL f 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL f 124 " --> pdb=" O GLU f 298 " (cutoff:3.500A) Processing sheet with id=AZ5, first strand: chain 'f' and resid 169 through 170 removed outlier: 4.247A pdb=" N TRP f 178 " --> pdb=" O ILE f 341 " (cutoff:3.500A) Processing sheet with id=AZ6, first strand: chain 'f' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER f 335 " --> pdb=" O ASN f 342 " (cutoff:3.500A) Processing sheet with id=AZ7, first strand: chain 'f' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS f 257 " --> pdb=" O HIS f 368 " (cutoff:3.500A) Processing sheet with id=AZ8, first strand: chain 'g' and resid 47 through 48 removed outlier: 3.737A pdb=" N TRP g 47 " --> pdb=" O TYR h 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY h 270 " --> pdb=" O ASP h 162 " (cutoff:3.500A) Processing sheet with id=AZ9, first strand: chain 'g' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR g 292 " --> pdb=" O ASN g 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN g 130 " --> pdb=" O THR g 292 " (cutoff:3.500A) removed outlier: 7.110A pdb=" N GLU g 294 " --> pdb=" O LEU g 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU g 128 " --> pdb=" O GLU g 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU g 296 " --> pdb=" O TYR g 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR g 126 " --> pdb=" O GLU g 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU g 298 " --> pdb=" O VAL g 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL g 124 " --> pdb=" O GLU g 298 " (cutoff:3.500A) Processing sheet with id=BA1, first strand: chain 'g' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR g 292 " --> pdb=" O ASN g 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN g 130 " --> pdb=" O THR g 292 " (cutoff:3.500A) removed outlier: 7.110A pdb=" N GLU g 294 " --> pdb=" O LEU g 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU g 128 " --> pdb=" O GLU g 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU g 296 " --> pdb=" O TYR g 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR g 126 " --> pdb=" O GLU g 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU g 298 " --> pdb=" O VAL g 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL g 124 " --> pdb=" O GLU g 298 " (cutoff:3.500A) Processing sheet with id=BA2, first strand: chain 'g' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP g 178 " --> pdb=" O ILE g 341 " (cutoff:3.500A) Processing sheet with id=BA3, first strand: chain 'g' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER g 335 " --> pdb=" O ASN g 342 " (cutoff:3.500A) Processing sheet with id=BA4, first strand: chain 'g' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS g 257 " --> pdb=" O HIS g 368 " (cutoff:3.500A) Processing sheet with id=BA5, first strand: chain 'h' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR h 292 " --> pdb=" O ASN h 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN h 130 " --> pdb=" O THR h 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU h 294 " --> pdb=" O LEU h 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU h 128 " --> pdb=" O GLU h 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU h 296 " --> pdb=" O TYR h 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR h 126 " --> pdb=" O GLU h 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU h 298 " --> pdb=" O VAL h 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL h 124 " --> pdb=" O GLU h 298 " (cutoff:3.500A) Processing sheet with id=BA6, first strand: chain 'h' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR h 292 " --> pdb=" O ASN h 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN h 130 " --> pdb=" O THR h 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU h 294 " --> pdb=" O LEU h 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU h 128 " --> pdb=" O GLU h 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU h 296 " --> pdb=" O TYR h 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR h 126 " --> pdb=" O GLU h 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU h 298 " --> pdb=" O VAL h 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL h 124 " --> pdb=" O GLU h 298 " (cutoff:3.500A) Processing sheet with id=BA7, first strand: chain 'h' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP h 178 " --> pdb=" O ILE h 341 " (cutoff:3.500A) Processing sheet with id=BA8, first strand: chain 'h' and resid 169 through 170 removed outlier: 7.311A pdb=" N SER h 335 " --> pdb=" O ASN h 342 " (cutoff:3.500A) Processing sheet with id=BA9, first strand: chain 'h' and resid 257 through 262 removed outlier: 3.575A pdb=" N HIS h 257 " --> pdb=" O HIS h 368 " (cutoff:3.500A) Processing sheet with id=BB1, first strand: chain 'i' and resid 47 through 48 removed outlier: 3.742A pdb=" N TRP i 47 " --> pdb=" O TYR j 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY j 270 " --> pdb=" O ASP j 162 " (cutoff:3.500A) Processing sheet with id=BB2, first strand: chain 'i' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR i 292 " --> pdb=" O ASN i 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN i 130 " --> pdb=" O THR i 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU i 294 " --> pdb=" O LEU i 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU i 128 " --> pdb=" O GLU i 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU i 296 " --> pdb=" O TYR i 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR i 126 " --> pdb=" O GLU i 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU i 298 " --> pdb=" O VAL i 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL i 124 " --> pdb=" O GLU i 298 " (cutoff:3.500A) Processing sheet with id=BB3, first strand: chain 'i' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR i 292 " --> pdb=" O ASN i 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN i 130 " --> pdb=" O THR i 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU i 294 " --> pdb=" O LEU i 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU i 128 " --> pdb=" O GLU i 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU i 296 " --> pdb=" O TYR i 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR i 126 " --> pdb=" O GLU i 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU i 298 " --> pdb=" O VAL i 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL i 124 " --> pdb=" O GLU i 298 " (cutoff:3.500A) Processing sheet with id=BB4, first strand: chain 'i' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP i 178 " --> pdb=" O ILE i 341 " (cutoff:3.500A) Processing sheet with id=BB5, first strand: chain 'i' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER i 335 " --> pdb=" O ASN i 342 " (cutoff:3.500A) Processing sheet with id=BB6, first strand: chain 'i' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS i 257 " --> pdb=" O HIS i 368 " (cutoff:3.500A) Processing sheet with id=BB7, first strand: chain 'j' and resid 59 through 72 removed outlier: 4.518A pdb=" N THR j 292 " --> pdb=" O ASN j 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN j 130 " --> pdb=" O THR j 292 " (cutoff:3.500A) removed outlier: 7.108A pdb=" N GLU j 294 " --> pdb=" O LEU j 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU j 128 " --> pdb=" O GLU j 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU j 296 " --> pdb=" O TYR j 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR j 126 " --> pdb=" O GLU j 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU j 298 " --> pdb=" O VAL j 124 " (cutoff:3.500A) removed outlier: 5.869A pdb=" N VAL j 124 " --> pdb=" O GLU j 298 " (cutoff:3.500A) Processing sheet with id=BB8, first strand: chain 'j' and resid 118 through 120 removed outlier: 4.518A pdb=" N THR j 292 " --> pdb=" O ASN j 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN j 130 " --> pdb=" O THR j 292 " (cutoff:3.500A) removed outlier: 7.108A pdb=" N GLU j 294 " --> pdb=" O LEU j 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU j 128 " --> pdb=" O GLU j 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU j 296 " --> pdb=" O TYR j 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR j 126 " --> pdb=" O GLU j 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU j 298 " --> pdb=" O VAL j 124 " (cutoff:3.500A) removed outlier: 5.869A pdb=" N VAL j 124 " --> pdb=" O GLU j 298 " (cutoff:3.500A) Processing sheet with id=BB9, first strand: chain 'j' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP j 178 " --> pdb=" O ILE j 341 " (cutoff:3.500A) Processing sheet with id=BC1, first strand: chain 'j' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER j 335 " --> pdb=" O ASN j 342 " (cutoff:3.500A) Processing sheet with id=BC2, first strand: chain 'j' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS j 257 " --> pdb=" O HIS j 368 " (cutoff:3.500A) Processing sheet with id=BC3, first strand: chain 'k' and resid 47 through 48 removed outlier: 3.743A pdb=" N TRP k 47 " --> pdb=" O TYR l 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY l 270 " --> pdb=" O ASP l 162 " (cutoff:3.500A) Processing sheet with id=BC4, first strand: chain 'k' and resid 59 through 72 removed outlier: 4.518A pdb=" N THR k 292 " --> pdb=" O ASN k 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN k 130 " --> pdb=" O THR k 292 " (cutoff:3.500A) removed outlier: 7.108A pdb=" N GLU k 294 " --> pdb=" O LEU k 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU k 128 " --> pdb=" O GLU k 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU k 296 " --> pdb=" O TYR k 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR k 126 " --> pdb=" O GLU k 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU k 298 " --> pdb=" O VAL k 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL k 124 " --> pdb=" O GLU k 298 " (cutoff:3.500A) Processing sheet with id=BC5, first strand: chain 'k' and resid 118 through 120 removed outlier: 4.518A pdb=" N THR k 292 " --> pdb=" O ASN k 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN k 130 " --> pdb=" O THR k 292 " (cutoff:3.500A) removed outlier: 7.108A pdb=" N GLU k 294 " --> pdb=" O LEU k 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU k 128 " --> pdb=" O GLU k 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU k 296 " --> pdb=" O TYR k 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR k 126 " --> pdb=" O GLU k 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU k 298 " --> pdb=" O VAL k 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL k 124 " --> pdb=" O GLU k 298 " (cutoff:3.500A) Processing sheet with id=BC6, first strand: chain 'k' and resid 189 through 191 removed outlier: 3.724A pdb=" N GLY k 270 " --> pdb=" O ASP k 162 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N TRP m 47 " --> pdb=" O TYR k 210 " (cutoff:3.500A) Processing sheet with id=BC7, first strand: chain 'k' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP k 178 " --> pdb=" O ILE k 341 " (cutoff:3.500A) Processing sheet with id=BC8, first strand: chain 'k' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER k 335 " --> pdb=" O ASN k 342 " (cutoff:3.500A) Processing sheet with id=BC9, first strand: chain 'k' and resid 257 through 262 removed outlier: 3.575A pdb=" N HIS k 257 " --> pdb=" O HIS k 368 " (cutoff:3.500A) Processing sheet with id=BD1, first strand: chain 'l' and resid 47 through 48 removed outlier: 3.741A pdb=" N TRP l 47 " --> pdb=" O TYR m 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY m 270 " --> pdb=" O ASP m 162 " (cutoff:3.500A) Processing sheet with id=BD2, first strand: chain 'l' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR l 292 " --> pdb=" O ASN l 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN l 130 " --> pdb=" O THR l 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU l 294 " --> pdb=" O LEU l 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU l 128 " --> pdb=" O GLU l 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU l 296 " --> pdb=" O TYR l 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR l 126 " --> pdb=" O GLU l 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU l 298 " --> pdb=" O VAL l 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL l 124 " --> pdb=" O GLU l 298 " (cutoff:3.500A) Processing sheet with id=BD3, first strand: chain 'l' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR l 292 " --> pdb=" O ASN l 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN l 130 " --> pdb=" O THR l 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU l 294 " --> pdb=" O LEU l 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU l 128 " --> pdb=" O GLU l 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU l 296 " --> pdb=" O TYR l 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR l 126 " --> pdb=" O GLU l 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU l 298 " --> pdb=" O VAL l 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL l 124 " --> pdb=" O GLU l 298 " (cutoff:3.500A) Processing sheet with id=BD4, first strand: chain 'l' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP l 178 " --> pdb=" O ILE l 341 " (cutoff:3.500A) Processing sheet with id=BD5, first strand: chain 'l' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER l 335 " --> pdb=" O ASN l 342 " (cutoff:3.500A) Processing sheet with id=BD6, first strand: chain 'l' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS l 257 " --> pdb=" O HIS l 368 " (cutoff:3.500A) Processing sheet with id=BD7, first strand: chain 'm' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR m 292 " --> pdb=" O ASN m 130 " (cutoff:3.500A) removed outlier: 5.814A pdb=" N ASN m 130 " --> pdb=" O THR m 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU m 294 " --> pdb=" O LEU m 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU m 128 " --> pdb=" O GLU m 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU m 296 " --> pdb=" O TYR m 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR m 126 " --> pdb=" O GLU m 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU m 298 " --> pdb=" O VAL m 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL m 124 " --> pdb=" O GLU m 298 " (cutoff:3.500A) Processing sheet with id=BD8, first strand: chain 'm' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR m 292 " --> pdb=" O ASN m 130 " (cutoff:3.500A) removed outlier: 5.814A pdb=" N ASN m 130 " --> pdb=" O THR m 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU m 294 " --> pdb=" O LEU m 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU m 128 " --> pdb=" O GLU m 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU m 296 " --> pdb=" O TYR m 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR m 126 " --> pdb=" O GLU m 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU m 298 " --> pdb=" O VAL m 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL m 124 " --> pdb=" O GLU m 298 " (cutoff:3.500A) Processing sheet with id=BD9, first strand: chain 'm' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP m 178 " --> pdb=" O ILE m 341 " (cutoff:3.500A) Processing sheet with id=BE1, first strand: chain 'm' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER m 335 " --> pdb=" O ASN m 342 " (cutoff:3.500A) Processing sheet with id=BE2, first strand: chain 'm' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS m 257 " --> pdb=" O HIS m 368 " (cutoff:3.500A) Processing sheet with id=BE3, first strand: chain 'n' and resid 47 through 48 removed outlier: 3.749A pdb=" N TRP n 47 " --> pdb=" O TYR o 210 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N GLY o 270 " --> pdb=" O ASP o 162 " (cutoff:3.500A) Processing sheet with id=BE4, first strand: chain 'n' and resid 59 through 72 removed outlier: 4.518A pdb=" N THR n 292 " --> pdb=" O ASN n 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN n 130 " --> pdb=" O THR n 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU n 294 " --> pdb=" O LEU n 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU n 128 " --> pdb=" O GLU n 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU n 296 " --> pdb=" O TYR n 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR n 126 " --> pdb=" O GLU n 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU n 298 " --> pdb=" O VAL n 124 " (cutoff:3.500A) removed outlier: 5.869A pdb=" N VAL n 124 " --> pdb=" O GLU n 298 " (cutoff:3.500A) Processing sheet with id=BE5, first strand: chain 'n' and resid 118 through 120 removed outlier: 4.518A pdb=" N THR n 292 " --> pdb=" O ASN n 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN n 130 " --> pdb=" O THR n 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU n 294 " --> pdb=" O LEU n 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU n 128 " --> pdb=" O GLU n 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU n 296 " --> pdb=" O TYR n 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR n 126 " --> pdb=" O GLU n 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU n 298 " --> pdb=" O VAL n 124 " (cutoff:3.500A) removed outlier: 5.869A pdb=" N VAL n 124 " --> pdb=" O GLU n 298 " (cutoff:3.500A) Processing sheet with id=BE6, first strand: chain 'n' and resid 189 through 191 removed outlier: 3.724A pdb=" N GLY n 270 " --> pdb=" O ASP n 162 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N TRP p 47 " --> pdb=" O TYR n 210 " (cutoff:3.500A) Processing sheet with id=BE7, first strand: chain 'n' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP n 178 " --> pdb=" O ILE n 341 " (cutoff:3.500A) Processing sheet with id=BE8, first strand: chain 'n' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER n 335 " --> pdb=" O ASN n 342 " (cutoff:3.500A) Processing sheet with id=BE9, first strand: chain 'n' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS n 257 " --> pdb=" O HIS n 368 " (cutoff:3.500A) Processing sheet with id=BF1, first strand: chain 'o' and resid 47 through 48 removed outlier: 3.743A pdb=" N TRP o 47 " --> pdb=" O TYR p 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY p 270 " --> pdb=" O ASP p 162 " (cutoff:3.500A) Processing sheet with id=BF2, first strand: chain 'o' and resid 59 through 72 removed outlier: 4.516A pdb=" N THR o 292 " --> pdb=" O ASN o 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN o 130 " --> pdb=" O THR o 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU o 294 " --> pdb=" O LEU o 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU o 128 " --> pdb=" O GLU o 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU o 296 " --> pdb=" O TYR o 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR o 126 " --> pdb=" O GLU o 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU o 298 " --> pdb=" O VAL o 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL o 124 " --> pdb=" O GLU o 298 " (cutoff:3.500A) Processing sheet with id=BF3, first strand: chain 'o' and resid 118 through 120 removed outlier: 4.516A pdb=" N THR o 292 " --> pdb=" O ASN o 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN o 130 " --> pdb=" O THR o 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU o 294 " --> pdb=" O LEU o 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU o 128 " --> pdb=" O GLU o 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU o 296 " --> pdb=" O TYR o 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR o 126 " --> pdb=" O GLU o 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU o 298 " --> pdb=" O VAL o 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL o 124 " --> pdb=" O GLU o 298 " (cutoff:3.500A) Processing sheet with id=BF4, first strand: chain 'o' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP o 178 " --> pdb=" O ILE o 341 " (cutoff:3.500A) Processing sheet with id=BF5, first strand: chain 'o' and resid 169 through 170 removed outlier: 7.311A pdb=" N SER o 335 " --> pdb=" O ASN o 342 " (cutoff:3.500A) Processing sheet with id=BF6, first strand: chain 'o' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS o 257 " --> pdb=" O HIS o 368 " (cutoff:3.500A) Processing sheet with id=BF7, first strand: chain 'p' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR p 292 " --> pdb=" O ASN p 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN p 130 " --> pdb=" O THR p 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU p 294 " --> pdb=" O LEU p 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU p 128 " --> pdb=" O GLU p 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU p 296 " --> pdb=" O TYR p 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR p 126 " --> pdb=" O GLU p 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU p 298 " --> pdb=" O VAL p 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL p 124 " --> pdb=" O GLU p 298 " (cutoff:3.500A) Processing sheet with id=BF8, first strand: chain 'p' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR p 292 " --> pdb=" O ASN p 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN p 130 " --> pdb=" O THR p 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU p 294 " --> pdb=" O LEU p 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU p 128 " --> pdb=" O GLU p 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU p 296 " --> pdb=" O TYR p 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR p 126 " --> pdb=" O GLU p 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU p 298 " --> pdb=" O VAL p 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL p 124 " --> pdb=" O GLU p 298 " (cutoff:3.500A) Processing sheet with id=BF9, first strand: chain 'p' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP p 178 " --> pdb=" O ILE p 341 " (cutoff:3.500A) Processing sheet with id=BG1, first strand: chain 'p' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER p 335 " --> pdb=" O ASN p 342 " (cutoff:3.500A) Processing sheet with id=BG2, first strand: chain 'p' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS p 257 " --> pdb=" O HIS p 368 " (cutoff:3.500A) Processing sheet with id=BG3, first strand: chain 'q' and resid 47 through 48 removed outlier: 3.751A pdb=" N TRP q 47 " --> pdb=" O TYR r 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY r 270 " --> pdb=" O ASP r 162 " (cutoff:3.500A) Processing sheet with id=BG4, first strand: chain 'q' and resid 59 through 72 removed outlier: 4.518A pdb=" N THR q 292 " --> pdb=" O ASN q 130 " (cutoff:3.500A) removed outlier: 5.816A pdb=" N ASN q 130 " --> pdb=" O THR q 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU q 294 " --> pdb=" O LEU q 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU q 128 " --> pdb=" O GLU q 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU q 296 " --> pdb=" O TYR q 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR q 126 " --> pdb=" O GLU q 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU q 298 " --> pdb=" O VAL q 124 " (cutoff:3.500A) removed outlier: 5.869A pdb=" N VAL q 124 " --> pdb=" O GLU q 298 " (cutoff:3.500A) Processing sheet with id=BG5, first strand: chain 'q' and resid 118 through 120 removed outlier: 4.518A pdb=" N THR q 292 " --> pdb=" O ASN q 130 " (cutoff:3.500A) removed outlier: 5.816A pdb=" N ASN q 130 " --> pdb=" O THR q 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU q 294 " --> pdb=" O LEU q 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU q 128 " --> pdb=" O GLU q 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU q 296 " --> pdb=" O TYR q 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR q 126 " --> pdb=" O GLU q 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU q 298 " --> pdb=" O VAL q 124 " (cutoff:3.500A) removed outlier: 5.869A pdb=" N VAL q 124 " --> pdb=" O GLU q 298 " (cutoff:3.500A) Processing sheet with id=BG6, first strand: chain 'q' and resid 189 through 191 removed outlier: 3.723A pdb=" N GLY q 270 " --> pdb=" O ASP q 162 " (cutoff:3.500A) removed outlier: 3.735A pdb=" N TRP s 47 " --> pdb=" O TYR q 210 " (cutoff:3.500A) Processing sheet with id=BG7, first strand: chain 'q' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP q 178 " --> pdb=" O ILE q 341 " (cutoff:3.500A) Processing sheet with id=BG8, first strand: chain 'q' and resid 169 through 170 removed outlier: 7.311A pdb=" N SER q 335 " --> pdb=" O ASN q 342 " (cutoff:3.500A) Processing sheet with id=BG9, first strand: chain 'q' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS q 257 " --> pdb=" O HIS q 368 " (cutoff:3.500A) Processing sheet with id=BH1, first strand: chain 'r' and resid 47 through 48 removed outlier: 3.742A pdb=" N TRP r 47 " --> pdb=" O TYR s 210 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N GLY s 270 " --> pdb=" O ASP s 162 " (cutoff:3.500A) Processing sheet with id=BH2, first strand: chain 'r' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR r 292 " --> pdb=" O ASN r 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN r 130 " --> pdb=" O THR r 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU r 294 " --> pdb=" O LEU r 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU r 128 " --> pdb=" O GLU r 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU r 296 " --> pdb=" O TYR r 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR r 126 " --> pdb=" O GLU r 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU r 298 " --> pdb=" O VAL r 124 " (cutoff:3.500A) removed outlier: 5.869A pdb=" N VAL r 124 " --> pdb=" O GLU r 298 " (cutoff:3.500A) Processing sheet with id=BH3, first strand: chain 'r' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR r 292 " --> pdb=" O ASN r 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN r 130 " --> pdb=" O THR r 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU r 294 " --> pdb=" O LEU r 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU r 128 " --> pdb=" O GLU r 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU r 296 " --> pdb=" O TYR r 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR r 126 " --> pdb=" O GLU r 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU r 298 " --> pdb=" O VAL r 124 " (cutoff:3.500A) removed outlier: 5.869A pdb=" N VAL r 124 " --> pdb=" O GLU r 298 " (cutoff:3.500A) Processing sheet with id=BH4, first strand: chain 'r' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP r 178 " --> pdb=" O ILE r 341 " (cutoff:3.500A) Processing sheet with id=BH5, first strand: chain 'r' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER r 335 " --> pdb=" O ASN r 342 " (cutoff:3.500A) Processing sheet with id=BH6, first strand: chain 'r' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS r 257 " --> pdb=" O HIS r 368 " (cutoff:3.500A) Processing sheet with id=BH7, first strand: chain 's' and resid 59 through 72 removed outlier: 4.518A pdb=" N THR s 292 " --> pdb=" O ASN s 130 " (cutoff:3.500A) removed outlier: 5.816A pdb=" N ASN s 130 " --> pdb=" O THR s 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU s 294 " --> pdb=" O LEU s 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU s 128 " --> pdb=" O GLU s 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU s 296 " --> pdb=" O TYR s 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR s 126 " --> pdb=" O GLU s 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU s 298 " --> pdb=" O VAL s 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL s 124 " --> pdb=" O GLU s 298 " (cutoff:3.500A) Processing sheet with id=BH8, first strand: chain 's' and resid 118 through 120 removed outlier: 4.518A pdb=" N THR s 292 " --> pdb=" O ASN s 130 " (cutoff:3.500A) removed outlier: 5.816A pdb=" N ASN s 130 " --> pdb=" O THR s 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU s 294 " --> pdb=" O LEU s 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU s 128 " --> pdb=" O GLU s 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU s 296 " --> pdb=" O TYR s 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR s 126 " --> pdb=" O GLU s 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU s 298 " --> pdb=" O VAL s 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL s 124 " --> pdb=" O GLU s 298 " (cutoff:3.500A) Processing sheet with id=BH9, first strand: chain 's' and resid 169 through 170 removed outlier: 4.249A pdb=" N TRP s 178 " --> pdb=" O ILE s 341 " (cutoff:3.500A) Processing sheet with id=BI1, first strand: chain 's' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER s 335 " --> pdb=" O ASN s 342 " (cutoff:3.500A) Processing sheet with id=BI2, first strand: chain 's' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS s 257 " --> pdb=" O HIS s 368 " (cutoff:3.500A) Processing sheet with id=BI3, first strand: chain 't' and resid 47 through 48 removed outlier: 3.744A pdb=" N TRP t 47 " --> pdb=" O TYR u 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY u 270 " --> pdb=" O ASP u 162 " (cutoff:3.500A) Processing sheet with id=BI4, first strand: chain 't' and resid 59 through 72 removed outlier: 4.518A pdb=" N THR t 292 " --> pdb=" O ASN t 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN t 130 " --> pdb=" O THR t 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU t 294 " --> pdb=" O LEU t 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU t 128 " --> pdb=" O GLU t 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU t 296 " --> pdb=" O TYR t 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR t 126 " --> pdb=" O GLU t 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU t 298 " --> pdb=" O VAL t 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL t 124 " --> pdb=" O GLU t 298 " (cutoff:3.500A) Processing sheet with id=BI5, first strand: chain 't' and resid 118 through 120 removed outlier: 4.518A pdb=" N THR t 292 " --> pdb=" O ASN t 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN t 130 " --> pdb=" O THR t 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU t 294 " --> pdb=" O LEU t 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU t 128 " --> pdb=" O GLU t 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU t 296 " --> pdb=" O TYR t 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR t 126 " --> pdb=" O GLU t 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU t 298 " --> pdb=" O VAL t 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL t 124 " --> pdb=" O GLU t 298 " (cutoff:3.500A) Processing sheet with id=BI6, first strand: chain 't' and resid 189 through 191 removed outlier: 3.724A pdb=" N GLY t 270 " --> pdb=" O ASP t 162 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N TRP v 47 " --> pdb=" O TYR t 210 " (cutoff:3.500A) Processing sheet with id=BI7, first strand: chain 't' and resid 169 through 170 removed outlier: 4.249A pdb=" N TRP t 178 " --> pdb=" O ILE t 341 " (cutoff:3.500A) Processing sheet with id=BI8, first strand: chain 't' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER t 335 " --> pdb=" O ASN t 342 " (cutoff:3.500A) Processing sheet with id=BI9, first strand: chain 't' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS t 257 " --> pdb=" O HIS t 368 " (cutoff:3.500A) Processing sheet with id=BJ1, first strand: chain 'u' and resid 47 through 48 removed outlier: 3.743A pdb=" N TRP u 47 " --> pdb=" O TYR v 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY v 270 " --> pdb=" O ASP v 162 " (cutoff:3.500A) Processing sheet with id=BJ2, first strand: chain 'u' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR u 292 " --> pdb=" O ASN u 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN u 130 " --> pdb=" O THR u 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU u 294 " --> pdb=" O LEU u 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU u 128 " --> pdb=" O GLU u 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU u 296 " --> pdb=" O TYR u 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR u 126 " --> pdb=" O GLU u 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU u 298 " --> pdb=" O VAL u 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL u 124 " --> pdb=" O GLU u 298 " (cutoff:3.500A) Processing sheet with id=BJ3, first strand: chain 'u' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR u 292 " --> pdb=" O ASN u 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN u 130 " --> pdb=" O THR u 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU u 294 " --> pdb=" O LEU u 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU u 128 " --> pdb=" O GLU u 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU u 296 " --> pdb=" O TYR u 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR u 126 " --> pdb=" O GLU u 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU u 298 " --> pdb=" O VAL u 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL u 124 " --> pdb=" O GLU u 298 " (cutoff:3.500A) Processing sheet with id=BJ4, first strand: chain 'u' and resid 169 through 170 removed outlier: 4.247A pdb=" N TRP u 178 " --> pdb=" O ILE u 341 " (cutoff:3.500A) Processing sheet with id=BJ5, first strand: chain 'u' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER u 335 " --> pdb=" O ASN u 342 " (cutoff:3.500A) Processing sheet with id=BJ6, first strand: chain 'u' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS u 257 " --> pdb=" O HIS u 368 " (cutoff:3.500A) Processing sheet with id=BJ7, first strand: chain 'v' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR v 292 " --> pdb=" O ASN v 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN v 130 " --> pdb=" O THR v 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU v 294 " --> pdb=" O LEU v 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU v 128 " --> pdb=" O GLU v 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU v 296 " --> pdb=" O TYR v 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR v 126 " --> pdb=" O GLU v 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU v 298 " --> pdb=" O VAL v 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL v 124 " --> pdb=" O GLU v 298 " (cutoff:3.500A) Processing sheet with id=BJ8, first strand: chain 'v' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR v 292 " --> pdb=" O ASN v 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN v 130 " --> pdb=" O THR v 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU v 294 " --> pdb=" O LEU v 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU v 128 " --> pdb=" O GLU v 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU v 296 " --> pdb=" O TYR v 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR v 126 " --> pdb=" O GLU v 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU v 298 " --> pdb=" O VAL v 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL v 124 " --> pdb=" O GLU v 298 " (cutoff:3.500A) Processing sheet with id=BJ9, first strand: chain 'v' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP v 178 " --> pdb=" O ILE v 341 " (cutoff:3.500A) Processing sheet with id=BK1, first strand: chain 'v' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER v 335 " --> pdb=" O ASN v 342 " (cutoff:3.500A) Processing sheet with id=BK2, first strand: chain 'v' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS v 257 " --> pdb=" O HIS v 368 " (cutoff:3.500A) Processing sheet with id=BK3, first strand: chain 'w' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR w 292 " --> pdb=" O ASN w 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN w 130 " --> pdb=" O THR w 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU w 294 " --> pdb=" O LEU w 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU w 128 " --> pdb=" O GLU w 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU w 296 " --> pdb=" O TYR w 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR w 126 " --> pdb=" O GLU w 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU w 298 " --> pdb=" O VAL w 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL w 124 " --> pdb=" O GLU w 298 " (cutoff:3.500A) Processing sheet with id=BK4, first strand: chain 'w' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR w 292 " --> pdb=" O ASN w 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN w 130 " --> pdb=" O THR w 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU w 294 " --> pdb=" O LEU w 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU w 128 " --> pdb=" O GLU w 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU w 296 " --> pdb=" O TYR w 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR w 126 " --> pdb=" O GLU w 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU w 298 " --> pdb=" O VAL w 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL w 124 " --> pdb=" O GLU w 298 " (cutoff:3.500A) Processing sheet with id=BK5, first strand: chain 'w' and resid 189 through 191 removed outlier: 3.724A pdb=" N GLY w 270 " --> pdb=" O ASP w 162 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N TRP x 47 " --> pdb=" O TYR w 210 " (cutoff:3.500A) Processing sheet with id=BK6, first strand: chain 'w' and resid 169 through 170 removed outlier: 4.247A pdb=" N TRP w 178 " --> pdb=" O ILE w 341 " (cutoff:3.500A) Processing sheet with id=BK7, first strand: chain 'w' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER w 335 " --> pdb=" O ASN w 342 " (cutoff:3.500A) Processing sheet with id=BK8, first strand: chain 'w' and resid 257 through 262 removed outlier: 3.577A pdb=" N HIS w 257 " --> pdb=" O HIS w 368 " (cutoff:3.500A) Processing sheet with id=BK9, first strand: chain 'x' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR x 292 " --> pdb=" O ASN x 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN x 130 " --> pdb=" O THR x 292 " (cutoff:3.500A) removed outlier: 7.110A pdb=" N GLU x 294 " --> pdb=" O LEU x 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU x 128 " --> pdb=" O GLU x 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU x 296 " --> pdb=" O TYR x 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR x 126 " --> pdb=" O GLU x 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU x 298 " --> pdb=" O VAL x 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL x 124 " --> pdb=" O GLU x 298 " (cutoff:3.500A) Processing sheet with id=BL1, first strand: chain 'x' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR x 292 " --> pdb=" O ASN x 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN x 130 " --> pdb=" O THR x 292 " (cutoff:3.500A) removed outlier: 7.110A pdb=" N GLU x 294 " --> pdb=" O LEU x 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU x 128 " --> pdb=" O GLU x 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU x 296 " --> pdb=" O TYR x 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR x 126 " --> pdb=" O GLU x 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU x 298 " --> pdb=" O VAL x 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL x 124 " --> pdb=" O GLU x 298 " (cutoff:3.500A) Processing sheet with id=BL2, first strand: chain 'x' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP x 178 " --> pdb=" O ILE x 341 " (cutoff:3.500A) Processing sheet with id=BL3, first strand: chain 'x' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER x 335 " --> pdb=" O ASN x 342 " (cutoff:3.500A) Processing sheet with id=BL4, first strand: chain 'x' and resid 257 through 262 removed outlier: 3.577A pdb=" N HIS x 257 " --> pdb=" O HIS x 368 " (cutoff:3.500A) Processing sheet with id=BL5, first strand: chain 'y' and resid 47 through 48 removed outlier: 3.743A pdb=" N TRP y 47 " --> pdb=" O TYR z 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY z 270 " --> pdb=" O ASP z 162 " (cutoff:3.500A) Processing sheet with id=BL6, first strand: chain 'y' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR y 292 " --> pdb=" O ASN y 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN y 130 " --> pdb=" O THR y 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU y 294 " --> pdb=" O LEU y 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU y 128 " --> pdb=" O GLU y 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU y 296 " --> pdb=" O TYR y 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR y 126 " --> pdb=" O GLU y 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU y 298 " --> pdb=" O VAL y 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL y 124 " --> pdb=" O GLU y 298 " (cutoff:3.500A) Processing sheet with id=BL7, first strand: chain 'y' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR y 292 " --> pdb=" O ASN y 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN y 130 " --> pdb=" O THR y 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU y 294 " --> pdb=" O LEU y 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU y 128 " --> pdb=" O GLU y 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU y 296 " --> pdb=" O TYR y 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR y 126 " --> pdb=" O GLU y 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU y 298 " --> pdb=" O VAL y 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL y 124 " --> pdb=" O GLU y 298 " (cutoff:3.500A) Processing sheet with id=BL8, first strand: chain 'y' and resid 189 through 191 removed outlier: 3.724A pdb=" N GLY y 270 " --> pdb=" O ASP y 162 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N TRP 1 47 " --> pdb=" O TYR y 210 " (cutoff:3.500A) Processing sheet with id=BL9, first strand: chain 'y' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP y 178 " --> pdb=" O ILE y 341 " (cutoff:3.500A) Processing sheet with id=BM1, first strand: chain 'y' and resid 169 through 170 removed outlier: 7.311A pdb=" N SER y 335 " --> pdb=" O ASN y 342 " (cutoff:3.500A) Processing sheet with id=BM2, first strand: chain 'y' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS y 257 " --> pdb=" O HIS y 368 " (cutoff:3.500A) Processing sheet with id=BM3, first strand: chain 'z' and resid 47 through 48 removed outlier: 3.741A pdb=" N TRP z 47 " --> pdb=" O TYR 1 210 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLY 1 270 " --> pdb=" O ASP 1 162 " (cutoff:3.500A) Processing sheet with id=BM4, first strand: chain 'z' and resid 59 through 72 removed outlier: 4.518A pdb=" N THR z 292 " --> pdb=" O ASN z 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN z 130 " --> pdb=" O THR z 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU z 294 " --> pdb=" O LEU z 128 " (cutoff:3.500A) removed outlier: 5.422A pdb=" N LEU z 128 " --> pdb=" O GLU z 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU z 296 " --> pdb=" O TYR z 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR z 126 " --> pdb=" O GLU z 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU z 298 " --> pdb=" O VAL z 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL z 124 " --> pdb=" O GLU z 298 " (cutoff:3.500A) Processing sheet with id=BM5, first strand: chain 'z' and resid 118 through 120 removed outlier: 4.518A pdb=" N THR z 292 " --> pdb=" O ASN z 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN z 130 " --> pdb=" O THR z 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU z 294 " --> pdb=" O LEU z 128 " (cutoff:3.500A) removed outlier: 5.422A pdb=" N LEU z 128 " --> pdb=" O GLU z 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU z 296 " --> pdb=" O TYR z 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR z 126 " --> pdb=" O GLU z 296 " (cutoff:3.500A) removed outlier: 7.092A pdb=" N GLU z 298 " --> pdb=" O VAL z 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL z 124 " --> pdb=" O GLU z 298 " (cutoff:3.500A) Processing sheet with id=BM6, first strand: chain 'z' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP z 178 " --> pdb=" O ILE z 341 " (cutoff:3.500A) Processing sheet with id=BM7, first strand: chain 'z' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER z 335 " --> pdb=" O ASN z 342 " (cutoff:3.500A) Processing sheet with id=BM8, first strand: chain 'z' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS z 257 " --> pdb=" O HIS z 368 " (cutoff:3.500A) Processing sheet with id=BM9, first strand: chain '1' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR 1 292 " --> pdb=" O ASN 1 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN 1 130 " --> pdb=" O THR 1 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU 1 294 " --> pdb=" O LEU 1 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU 1 128 " --> pdb=" O GLU 1 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU 1 296 " --> pdb=" O TYR 1 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR 1 126 " --> pdb=" O GLU 1 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU 1 298 " --> pdb=" O VAL 1 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL 1 124 " --> pdb=" O GLU 1 298 " (cutoff:3.500A) Processing sheet with id=BN1, first strand: chain '1' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR 1 292 " --> pdb=" O ASN 1 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN 1 130 " --> pdb=" O THR 1 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU 1 294 " --> pdb=" O LEU 1 128 " (cutoff:3.500A) removed outlier: 5.424A pdb=" N LEU 1 128 " --> pdb=" O GLU 1 294 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N GLU 1 296 " --> pdb=" O TYR 1 126 " (cutoff:3.500A) removed outlier: 5.035A pdb=" N TYR 1 126 " --> pdb=" O GLU 1 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU 1 298 " --> pdb=" O VAL 1 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL 1 124 " --> pdb=" O GLU 1 298 " (cutoff:3.500A) Processing sheet with id=BN2, first strand: chain '1' and resid 169 through 170 removed outlier: 4.248A pdb=" N TRP 1 178 " --> pdb=" O ILE 1 341 " (cutoff:3.500A) Processing sheet with id=BN3, first strand: chain '1' and resid 169 through 170 removed outlier: 7.311A pdb=" N SER 1 335 " --> pdb=" O ASN 1 342 " (cutoff:3.500A) Processing sheet with id=BN4, first strand: chain '1' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS 1 257 " --> pdb=" O HIS 1 368 " (cutoff:3.500A) Processing sheet with id=BN5, first strand: chain '2' and resid 59 through 72 removed outlier: 4.517A pdb=" N THR 2 292 " --> pdb=" O ASN 2 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN 2 130 " --> pdb=" O THR 2 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU 2 294 " --> pdb=" O LEU 2 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU 2 128 " --> pdb=" O GLU 2 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU 2 296 " --> pdb=" O TYR 2 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR 2 126 " --> pdb=" O GLU 2 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU 2 298 " --> pdb=" O VAL 2 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL 2 124 " --> pdb=" O GLU 2 298 " (cutoff:3.500A) Processing sheet with id=BN6, first strand: chain '2' and resid 118 through 120 removed outlier: 4.517A pdb=" N THR 2 292 " --> pdb=" O ASN 2 130 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N ASN 2 130 " --> pdb=" O THR 2 292 " (cutoff:3.500A) removed outlier: 7.109A pdb=" N GLU 2 294 " --> pdb=" O LEU 2 128 " (cutoff:3.500A) removed outlier: 5.423A pdb=" N LEU 2 128 " --> pdb=" O GLU 2 294 " (cutoff:3.500A) removed outlier: 6.654A pdb=" N GLU 2 296 " --> pdb=" O TYR 2 126 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N TYR 2 126 " --> pdb=" O GLU 2 296 " (cutoff:3.500A) removed outlier: 7.091A pdb=" N GLU 2 298 " --> pdb=" O VAL 2 124 " (cutoff:3.500A) removed outlier: 5.870A pdb=" N VAL 2 124 " --> pdb=" O GLU 2 298 " (cutoff:3.500A) Processing sheet with id=BN7, first strand: chain '2' and resid 169 through 170 removed outlier: 4.249A pdb=" N TRP 2 178 " --> pdb=" O ILE 2 341 " (cutoff:3.500A) Processing sheet with id=BN8, first strand: chain '2' and resid 169 through 170 removed outlier: 7.312A pdb=" N SER 2 335 " --> pdb=" O ASN 2 342 " (cutoff:3.500A) Processing sheet with id=BN9, first strand: chain '2' and resid 257 through 262 removed outlier: 3.576A pdb=" N HIS 2 257 " --> pdb=" O HIS 2 368 " (cutoff:3.500A) 4560 hydrogen bonds defined for protein. 12060 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: 133.03 Time building geometry restraints manager: 56.09 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.19 - 1.31: 26170 1.31 - 1.44: 46730 1.44 - 1.56: 87420 1.56 - 1.68: 0 1.68 - 1.80: 1440 Bond restraints: 161760 Sorted by residual: bond pdb=" C SER n 45 " pdb=" O SER n 45 " ideal model delta sigma weight residual 1.234 1.191 0.043 1.27e-02 6.20e+03 1.14e+01 bond pdb=" C SER t 45 " pdb=" O SER t 45 " ideal model delta sigma weight residual 1.234 1.192 0.043 1.27e-02 6.20e+03 1.14e+01 bond pdb=" C SER S 45 " pdb=" O SER S 45 " ideal model delta sigma weight residual 1.234 1.192 0.043 1.27e-02 6.20e+03 1.14e+01 bond pdb=" C SER N 45 " pdb=" O SER N 45 " ideal model delta sigma weight residual 1.234 1.192 0.043 1.27e-02 6.20e+03 1.14e+01 bond pdb=" C SER z 45 " pdb=" O SER z 45 " ideal model delta sigma weight residual 1.234 1.192 0.043 1.27e-02 6.20e+03 1.13e+01 ... (remaining 161755 not shown) Histogram of bond angle deviations from ideal: 97.92 - 105.14: 4020 105.14 - 112.37: 80201 112.37 - 119.59: 53441 119.59 - 126.82: 79719 126.82 - 134.04: 2759 Bond angle restraints: 220140 Sorted by residual: angle pdb=" C GLY Z 347 " pdb=" N PRO Z 348 " pdb=" CA PRO Z 348 " ideal model delta sigma weight residual 120.21 126.95 -6.74 9.60e-01 1.09e+00 4.92e+01 angle pdb=" C GLY 2 347 " pdb=" N PRO 2 348 " pdb=" CA PRO 2 348 " ideal model delta sigma weight residual 120.21 126.95 -6.74 9.60e-01 1.09e+00 4.92e+01 angle pdb=" C GLY i 347 " pdb=" N PRO i 348 " pdb=" CA PRO i 348 " ideal model delta sigma weight residual 120.21 126.94 -6.73 9.60e-01 1.09e+00 4.92e+01 angle pdb=" C GLY G 347 " pdb=" N PRO G 348 " pdb=" CA PRO G 348 " ideal model delta sigma weight residual 120.21 126.92 -6.71 9.60e-01 1.09e+00 4.89e+01 angle pdb=" C GLY E 347 " pdb=" N PRO E 348 " pdb=" CA PRO E 348 " ideal model delta sigma weight residual 120.21 126.92 -6.71 9.60e-01 1.09e+00 4.89e+01 ... (remaining 220135 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 16.36: 90420 16.36 - 32.72: 3540 32.72 - 49.08: 300 49.08 - 65.44: 0 65.44 - 81.80: 120 Dihedral angle restraints: 94380 sinusoidal: 36780 harmonic: 57600 Sorted by residual: dihedral pdb=" CA ILE M 327 " pdb=" C ILE M 327 " pdb=" N GLN M 328 " pdb=" CA GLN M 328 " ideal model delta harmonic sigma weight residual 180.00 -155.37 -24.63 0 5.00e+00 4.00e-02 2.43e+01 dihedral pdb=" CA ILE c 327 " pdb=" C ILE c 327 " pdb=" N GLN c 328 " pdb=" CA GLN c 328 " ideal model delta harmonic sigma weight residual -180.00 -155.38 -24.62 0 5.00e+00 4.00e-02 2.43e+01 dihedral pdb=" CA ILE 1 327 " pdb=" C ILE 1 327 " pdb=" N GLN 1 328 " pdb=" CA GLN 1 328 " ideal model delta harmonic sigma weight residual 180.00 -155.38 -24.62 0 5.00e+00 4.00e-02 2.43e+01 ... (remaining 94377 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.077: 18216 0.077 - 0.154: 4925 0.154 - 0.231: 559 0.231 - 0.308: 180 0.308 - 0.385: 180 Chirality restraints: 24060 Sorted by residual: chirality pdb=" CA GLN 2 328 " pdb=" N GLN 2 328 " pdb=" C GLN 2 328 " pdb=" CB GLN 2 328 " both_signs ideal model delta sigma weight residual False 2.51 2.13 0.39 2.00e-01 2.50e+01 3.71e+00 chirality pdb=" CA GLN Z 328 " pdb=" N GLN Z 328 " pdb=" C GLN Z 328 " pdb=" CB GLN Z 328 " both_signs ideal model delta sigma weight residual False 2.51 2.13 0.39 2.00e-01 2.50e+01 3.71e+00 chirality pdb=" CA GLN P 328 " pdb=" N GLN P 328 " pdb=" C GLN P 328 " pdb=" CB GLN P 328 " both_signs ideal model delta sigma weight residual False 2.51 2.13 0.38 2.00e-01 2.50e+01 3.70e+00 ... (remaining 24057 not shown) Planarity restraints: 28500 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CB TRP Z 211 " -0.031 2.00e-02 2.50e+03 2.80e-02 1.95e+01 pdb=" CG TRP Z 211 " 0.075 2.00e-02 2.50e+03 pdb=" CD1 TRP Z 211 " -0.035 2.00e-02 2.50e+03 pdb=" CD2 TRP Z 211 " 0.002 2.00e-02 2.50e+03 pdb=" NE1 TRP Z 211 " 0.003 2.00e-02 2.50e+03 pdb=" CE2 TRP Z 211 " 0.001 2.00e-02 2.50e+03 pdb=" CE3 TRP Z 211 " -0.005 2.00e-02 2.50e+03 pdb=" CZ2 TRP Z 211 " -0.003 2.00e-02 2.50e+03 pdb=" CZ3 TRP Z 211 " -0.003 2.00e-02 2.50e+03 pdb=" CH2 TRP Z 211 " -0.003 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CB TRP 2 211 " 0.032 2.00e-02 2.50e+03 2.79e-02 1.95e+01 pdb=" CG TRP 2 211 " -0.075 2.00e-02 2.50e+03 pdb=" CD1 TRP 2 211 " 0.034 2.00e-02 2.50e+03 pdb=" CD2 TRP 2 211 " -0.002 2.00e-02 2.50e+03 pdb=" NE1 TRP 2 211 " -0.002 2.00e-02 2.50e+03 pdb=" CE2 TRP 2 211 " -0.001 2.00e-02 2.50e+03 pdb=" CE3 TRP 2 211 " 0.005 2.00e-02 2.50e+03 pdb=" CZ2 TRP 2 211 " 0.003 2.00e-02 2.50e+03 pdb=" CZ3 TRP 2 211 " 0.003 2.00e-02 2.50e+03 pdb=" CH2 TRP 2 211 " 0.003 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CB TRP g 211 " -0.031 2.00e-02 2.50e+03 2.79e-02 1.95e+01 pdb=" CG TRP g 211 " 0.075 2.00e-02 2.50e+03 pdb=" CD1 TRP g 211 " -0.035 2.00e-02 2.50e+03 pdb=" CD2 TRP g 211 " 0.002 2.00e-02 2.50e+03 pdb=" NE1 TRP g 211 " 0.003 2.00e-02 2.50e+03 pdb=" CE2 TRP g 211 " 0.002 2.00e-02 2.50e+03 pdb=" CE3 TRP g 211 " -0.005 2.00e-02 2.50e+03 pdb=" CZ2 TRP g 211 " -0.003 2.00e-02 2.50e+03 pdb=" CZ3 TRP g 211 " -0.003 2.00e-02 2.50e+03 pdb=" CH2 TRP g 211 " -0.003 2.00e-02 2.50e+03 ... (remaining 28497 not shown) Histogram of nonbonded interaction distances: 2.20 - 2.74: 24290 2.74 - 3.28: 163638 3.28 - 3.82: 294350 3.82 - 4.36: 381881 4.36 - 4.90: 637519 Nonbonded interactions: 1501678 Sorted by model distance: nonbonded pdb=" NH2 ARG p 67 " pdb=" O PHE q 205 " model vdw 2.204 2.520 nonbonded pdb=" O PHE A 205 " pdb=" NH2 ARG B 67 " model vdw 2.207 2.520 nonbonded pdb=" NH2 ARG 4 67 " pdb=" O PHE b 205 " model vdw 2.209 2.520 nonbonded pdb=" NH2 ARG A 67 " pdb=" O PHE E 205 " model vdw 2.209 2.520 nonbonded pdb=" NH2 ARG k 67 " pdb=" O PHE s 205 " model vdw 2.209 2.520 ... (remaining 1501673 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 Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as individual isotropic Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 3.430 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.010 Construct map_model_manager: 0.180 Extract box with map and model: 20.000 Check model and map are aligned: 1.820 Set scattering table: 1.120 Process input model: 410.140 Find NCS groups from input model: 10.580 Set up NCS constraints: 3.760 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.030 Load rotamer database and sin/cos tables:11.360 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 462.430 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8423 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 : 0.011 0.090 161760 Z= 0.736 Angle : 1.093 10.310 220140 Z= 0.624 Chirality : 0.076 0.385 24060 Planarity : 0.007 0.064 28500 Dihedral : 9.533 81.799 57660 Min Nonbonded Distance : 2.204 Molprobity Statistics. All-atom Clashscore : 31.34 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.92 % Favored : 96.08 % Rotamer: Outliers : 0.68 % Allowed : 1.71 % Favored : 97.60 % Cbeta Deviations : 0.33 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.75 (0.05), residues: 19920 helix: -4.99 (0.03), residues: 1560 sheet: 0.04 (0.06), residues: 6060 loop : -1.29 (0.05), residues: 12300 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.075 0.007 TRP 2 211 HIS 0.023 0.003 HIS w 159 PHE 0.035 0.005 PHE h 90 TYR 0.037 0.005 TYR L 210 ARG 0.006 0.001 ARG h 266 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 39840 Ramachandran restraints generated. 19920 Oldfield, 0 Emsley, 19920 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 39840 Ramachandran restraints generated. 19920 Oldfield, 0 Emsley, 19920 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 5283 residues out of total 17520 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 120 poor density : 5163 time to evaluate : 12.441 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: A 46 VAL cc_start: 0.8869 (OUTLIER) cc_final: 0.8668 (t) REVERT: A 305 GLU cc_start: 0.9265 (mp0) cc_final: 0.9020 (mp0) REVERT: B 110 TYR cc_start: 0.8387 (t80) cc_final: 0.8109 (t80) REVERT: B 305 GLU cc_start: 0.9257 (mp0) cc_final: 0.9053 (mp0) REVERT: B 368 HIS cc_start: 0.7883 (t-90) cc_final: 0.7521 (t-90) REVERT: C 61 ARG cc_start: 0.8025 (ttm110) cc_final: 0.7709 (mtt90) REVERT: C 110 TYR cc_start: 0.8421 (t80) cc_final: 0.7900 (t80) REVERT: D 89 ARG cc_start: 0.8655 (ttm170) cc_final: 0.8447 (ttm170) REVERT: D 223 ASP cc_start: 0.8133 (m-30) cc_final: 0.7919 (m-30) REVERT: D 259 ASN cc_start: 0.7943 (m110) cc_final: 0.7713 (m110) REVERT: D 305 GLU cc_start: 0.9229 (mp0) cc_final: 0.8991 (mp0) REVERT: E 46 VAL cc_start: 0.8781 (OUTLIER) cc_final: 0.8507 (t) REVERT: E 110 TYR cc_start: 0.8479 (t80) cc_final: 0.8232 (t80) REVERT: F 305 GLU cc_start: 0.9267 (mp0) cc_final: 0.9024 (mp0) REVERT: G 46 VAL cc_start: 0.8776 (OUTLIER) cc_final: 0.8501 (t) REVERT: G 110 TYR cc_start: 0.8481 (t80) cc_final: 0.8233 (t80) REVERT: G 305 GLU cc_start: 0.9219 (mp0) cc_final: 0.9018 (mp0) REVERT: H 89 ARG cc_start: 0.8654 (ttm170) cc_final: 0.8443 (ttm170) REVERT: H 223 ASP cc_start: 0.8130 (m-30) cc_final: 0.7920 (m-30) REVERT: H 259 ASN cc_start: 0.7944 (m110) cc_final: 0.7709 (m110) REVERT: H 305 GLU cc_start: 0.9232 (mp0) cc_final: 0.8989 (mp0) REVERT: I 61 ARG cc_start: 0.8031 (ttm110) cc_final: 0.7682 (mtt90) REVERT: I 110 TYR cc_start: 0.8420 (t80) cc_final: 0.7899 (t80) REVERT: J 110 TYR cc_start: 0.8389 (t80) cc_final: 0.8112 (t80) REVERT: J 298 GLU cc_start: 0.8092 (mt-10) cc_final: 0.7892 (mt-10) REVERT: J 305 GLU cc_start: 0.9256 (mp0) cc_final: 0.9054 (mp0) REVERT: J 368 HIS cc_start: 0.7875 (t-90) cc_final: 0.7511 (t-90) REVERT: K 61 ARG cc_start: 0.8028 (ttm110) cc_final: 0.7678 (mtt90) REVERT: K 110 TYR cc_start: 0.8420 (t80) cc_final: 0.7900 (t80) REVERT: L 110 TYR cc_start: 0.8393 (t80) cc_final: 0.8112 (t80) REVERT: L 298 GLU cc_start: 0.8095 (mt-10) cc_final: 0.7893 (mt-10) REVERT: L 368 HIS cc_start: 0.7900 (t-90) cc_final: 0.7521 (t-90) REVERT: M 46 VAL cc_start: 0.8773 (OUTLIER) cc_final: 0.8498 (t) REVERT: M 110 TYR cc_start: 0.8476 (t80) cc_final: 0.8228 (t80) REVERT: N 89 ARG cc_start: 0.8656 (ttm170) cc_final: 0.8447 (ttm170) REVERT: N 223 ASP cc_start: 0.8133 (m-30) cc_final: 0.7923 (m-30) REVERT: N 259 ASN cc_start: 0.7941 (m110) cc_final: 0.7709 (m110) REVERT: N 305 GLU cc_start: 0.9232 (mp0) cc_final: 0.8995 (mp0) REVERT: O 46 VAL cc_start: 0.8810 (OUTLIER) cc_final: 0.8534 (t) REVERT: O 110 TYR cc_start: 0.8478 (t80) cc_final: 0.8230 (t80) REVERT: P 89 ARG cc_start: 0.8656 (ttm170) cc_final: 0.8444 (ttm170) REVERT: P 223 ASP cc_start: 0.8132 (m-30) cc_final: 0.7921 (m-30) REVERT: P 259 ASN cc_start: 0.7942 (m110) cc_final: 0.7709 (m110) REVERT: P 305 GLU cc_start: 0.9230 (mp0) cc_final: 0.8988 (mp0) REVERT: Q 61 ARG cc_start: 0.8033 (ttm110) cc_final: 0.7684 (mtt90) REVERT: Q 110 TYR cc_start: 0.8419 (t80) cc_final: 0.7896 (t80) REVERT: R 110 TYR cc_start: 0.8386 (t80) cc_final: 0.8110 (t80) REVERT: R 305 GLU cc_start: 0.9258 (mp0) cc_final: 0.9054 (mp0) REVERT: R 368 HIS cc_start: 0.7883 (t-90) cc_final: 0.7519 (t-90) REVERT: S 110 TYR cc_start: 0.8390 (t80) cc_final: 0.8111 (t80) REVERT: S 305 GLU cc_start: 0.9256 (mp0) cc_final: 0.9056 (mp0) REVERT: S 368 HIS cc_start: 0.7875 (t-90) cc_final: 0.7509 (t-90) REVERT: T 61 ARG cc_start: 0.8025 (ttm110) cc_final: 0.7675 (mtt90) REVERT: T 110 TYR cc_start: 0.8422 (t80) cc_final: 0.7901 (t80) REVERT: U 110 TYR cc_start: 0.8391 (t80) cc_final: 0.8113 (t80) REVERT: U 298 GLU cc_start: 0.8093 (mt-10) cc_final: 0.7888 (mt-10) REVERT: U 305 GLU cc_start: 0.9254 (mp0) cc_final: 0.9053 (mp0) REVERT: U 368 HIS cc_start: 0.7901 (t-90) cc_final: 0.7525 (t-90) REVERT: V 61 ARG cc_start: 0.8027 (ttm110) cc_final: 0.7678 (mtt90) REVERT: V 110 TYR cc_start: 0.8418 (t80) cc_final: 0.7900 (t80) REVERT: W 89 ARG cc_start: 0.8656 (ttm170) cc_final: 0.8446 (ttm170) REVERT: W 223 ASP cc_start: 0.8133 (m-30) cc_final: 0.7920 (m-30) REVERT: W 259 ASN cc_start: 0.7943 (m110) cc_final: 0.7714 (m110) REVERT: W 305 GLU cc_start: 0.9230 (mp0) cc_final: 0.8991 (mp0) REVERT: X 46 VAL cc_start: 0.8776 (OUTLIER) cc_final: 0.8506 (t) REVERT: X 110 TYR cc_start: 0.8475 (t80) cc_final: 0.8227 (t80) REVERT: Y 89 ARG cc_start: 0.8658 (ttm170) cc_final: 0.8446 (ttm170) REVERT: Y 223 ASP cc_start: 0.8129 (m-30) cc_final: 0.7921 (m-30) REVERT: Y 259 ASN cc_start: 0.7941 (m110) cc_final: 0.7708 (m110) REVERT: Y 305 GLU cc_start: 0.9232 (mp0) cc_final: 0.8994 (mp0) REVERT: Z 46 VAL cc_start: 0.8815 (OUTLIER) cc_final: 0.8537 (t) REVERT: Z 110 TYR cc_start: 0.8477 (t80) cc_final: 0.8229 (t80) REVERT: 8 61 ARG cc_start: 0.8072 (ttm110) cc_final: 0.7861 (ttm170) REVERT: 8 305 GLU cc_start: 0.9255 (mp0) cc_final: 0.9005 (mp0) REVERT: 7 61 ARG cc_start: 0.8093 (ttm110) cc_final: 0.7856 (ttm170) REVERT: 7 305 GLU cc_start: 0.9252 (mp0) cc_final: 0.8985 (mp0) REVERT: 6 249 VAL cc_start: 0.9326 (p) cc_final: 0.9023 (t) REVERT: 6 305 GLU cc_start: 0.9262 (mp0) cc_final: 0.9016 (mp0) REVERT: 5 61 ARG cc_start: 0.8072 (ttm110) cc_final: 0.7864 (ttm170) REVERT: 5 305 GLU cc_start: 0.9255 (mp0) cc_final: 0.9004 (mp0) REVERT: 4 305 GLU cc_start: 0.9267 (mp0) cc_final: 0.9020 (mp0) REVERT: 3 249 VAL cc_start: 0.9325 (p) cc_final: 0.9021 (t) REVERT: 3 305 GLU cc_start: 0.9260 (mp0) cc_final: 0.9024 (mp0) REVERT: a 61 ARG cc_start: 0.8027 (ttm110) cc_final: 0.7681 (mtt90) REVERT: a 110 TYR cc_start: 0.8421 (t80) cc_final: 0.7903 (t80) REVERT: b 46 VAL cc_start: 0.8783 (OUTLIER) cc_final: 0.8510 (t) REVERT: b 110 TYR cc_start: 0.8478 (t80) cc_final: 0.8229 (t80) REVERT: c 89 ARG cc_start: 0.8656 (ttm170) cc_final: 0.8446 (ttm170) REVERT: c 223 ASP cc_start: 0.8130 (m-30) cc_final: 0.7920 (m-30) REVERT: c 259 ASN cc_start: 0.7943 (m110) cc_final: 0.7709 (m110) REVERT: c 305 GLU cc_start: 0.9233 (mp0) cc_final: 0.8996 (mp0) REVERT: d 89 ARG cc_start: 0.8654 (ttm170) cc_final: 0.8441 (ttm170) REVERT: d 223 ASP cc_start: 0.8130 (m-30) cc_final: 0.7919 (m-30) REVERT: d 259 ASN cc_start: 0.7945 (m110) cc_final: 0.7710 (m110) REVERT: d 305 GLU cc_start: 0.9230 (mp0) cc_final: 0.8991 (mp0) REVERT: e 89 ARG cc_start: 0.8657 (ttm170) cc_final: 0.8446 (ttm170) REVERT: e 223 ASP cc_start: 0.8129 (m-30) cc_final: 0.7918 (m-30) REVERT: e 259 ASN cc_start: 0.7941 (m110) cc_final: 0.7711 (m110) REVERT: e 305 GLU cc_start: 0.9231 (mp0) cc_final: 0.8992 (mp0) REVERT: f 46 VAL cc_start: 0.8811 (OUTLIER) cc_final: 0.8532 (t) REVERT: f 110 TYR cc_start: 0.8478 (t80) cc_final: 0.8232 (t80) REVERT: g 61 ARG cc_start: 0.8028 (ttm110) cc_final: 0.7680 (mtt90) REVERT: g 110 TYR cc_start: 0.8424 (t80) cc_final: 0.7903 (t80) REVERT: h 61 ARG cc_start: 0.8070 (ttm110) cc_final: 0.7863 (ttm170) REVERT: h 305 GLU cc_start: 0.9254 (mp0) cc_final: 0.9005 (mp0) REVERT: i 46 VAL cc_start: 0.8776 (OUTLIER) cc_final: 0.8504 (t) REVERT: i 110 TYR cc_start: 0.8477 (t80) cc_final: 0.8230 (t80) REVERT: j 61 ARG cc_start: 0.8022 (ttm110) cc_final: 0.7675 (mtt90) REVERT: j 110 TYR cc_start: 0.8420 (t80) cc_final: 0.7902 (t80) REVERT: k 110 TYR cc_start: 0.8386 (t80) cc_final: 0.8109 (t80) REVERT: k 305 GLU cc_start: 0.9257 (mp0) cc_final: 0.9055 (mp0) REVERT: k 368 HIS cc_start: 0.7883 (t-90) cc_final: 0.7523 (t-90) REVERT: l 110 TYR cc_start: 0.8391 (t80) cc_final: 0.8113 (t80) REVERT: l 298 GLU cc_start: 0.8094 (mt-10) cc_final: 0.7893 (mt-10) REVERT: l 305 GLU cc_start: 0.9258 (mp0) cc_final: 0.9057 (mp0) REVERT: l 368 HIS cc_start: 0.7875 (t-90) cc_final: 0.7507 (t-90) REVERT: m 110 TYR cc_start: 0.8393 (t80) cc_final: 0.8112 (t80) REVERT: m 298 GLU cc_start: 0.8094 (mt-10) cc_final: 0.7890 (mt-10) REVERT: m 305 GLU cc_start: 0.9254 (mp0) cc_final: 0.9053 (mp0) REVERT: m 368 HIS cc_start: 0.7902 (t-90) cc_final: 0.7525 (t-90) REVERT: n 46 VAL cc_start: 0.8783 (OUTLIER) cc_final: 0.8510 (t) REVERT: n 110 TYR cc_start: 0.8481 (t80) cc_final: 0.8233 (t80) REVERT: o 61 ARG cc_start: 0.8025 (ttm110) cc_final: 0.7677 (mtt90) REVERT: o 110 TYR cc_start: 0.8420 (t80) cc_final: 0.7901 (t80) REVERT: p 61 ARG cc_start: 0.8087 (ttm110) cc_final: 0.7876 (ttm170) REVERT: p 305 GLU cc_start: 0.9264 (mp0) cc_final: 0.9010 (mp0) REVERT: q 46 VAL cc_start: 0.8776 (OUTLIER) cc_final: 0.8504 (t) REVERT: q 110 TYR cc_start: 0.8481 (t80) cc_final: 0.8208 (t80) REVERT: r 61 ARG cc_start: 0.8035 (ttm110) cc_final: 0.7685 (mtt90) REVERT: r 110 TYR cc_start: 0.8419 (t80) cc_final: 0.7898 (t80) REVERT: s 249 VAL cc_start: 0.9318 (p) cc_final: 0.9018 (t) REVERT: s 305 GLU cc_start: 0.9260 (mp0) cc_final: 0.9013 (mp0) REVERT: t 110 TYR cc_start: 0.8392 (t80) cc_final: 0.8114 (t80) REVERT: t 298 GLU cc_start: 0.8094 (mt-10) cc_final: 0.7888 (mt-10) REVERT: t 368 HIS cc_start: 0.7903 (t-90) cc_final: 0.7531 (t-90) REVERT: u 110 TYR cc_start: 0.8384 (t80) cc_final: 0.8110 (t80) REVERT: u 298 GLU cc_start: 0.8093 (mt-10) cc_final: 0.7890 (mt-10) REVERT: u 305 GLU cc_start: 0.9258 (mp0) cc_final: 0.9055 (mp0) REVERT: u 368 HIS cc_start: 0.7886 (t-90) cc_final: 0.7519 (t-90) REVERT: v 110 TYR cc_start: 0.8390 (t80) cc_final: 0.8113 (t80) REVERT: v 305 GLU cc_start: 0.9256 (mp0) cc_final: 0.9056 (mp0) REVERT: v 368 HIS cc_start: 0.7878 (t-90) cc_final: 0.7513 (t-90) REVERT: w 61 ARG cc_start: 0.8071 (ttm110) cc_final: 0.7863 (ttm170) REVERT: w 305 GLU cc_start: 0.9254 (mp0) cc_final: 0.9005 (mp0) REVERT: x 61 ARG cc_start: 0.8028 (ttm110) cc_final: 0.7680 (mtt90) REVERT: x 110 TYR cc_start: 0.8422 (t80) cc_final: 0.7902 (t80) REVERT: y 89 ARG cc_start: 0.8656 (ttm170) cc_final: 0.8444 (ttm170) REVERT: y 223 ASP cc_start: 0.8131 (m-30) cc_final: 0.7920 (m-30) REVERT: y 259 ASN cc_start: 0.7941 (m110) cc_final: 0.7707 (m110) REVERT: y 305 GLU cc_start: 0.9232 (mp0) cc_final: 0.8990 (mp0) REVERT: z 89 ARG cc_start: 0.8655 (ttm170) cc_final: 0.8447 (ttm170) REVERT: z 223 ASP cc_start: 0.8131 (m-30) cc_final: 0.7919 (m-30) REVERT: z 259 ASN cc_start: 0.7942 (m110) cc_final: 0.7711 (m110) REVERT: z 305 GLU cc_start: 0.9231 (mp0) cc_final: 0.8991 (mp0) REVERT: 1 89 ARG cc_start: 0.8655 (ttm170) cc_final: 0.8445 (ttm170) REVERT: 1 223 ASP cc_start: 0.8131 (m-30) cc_final: 0.7919 (m-30) REVERT: 1 259 ASN cc_start: 0.7946 (m110) cc_final: 0.7713 (m110) REVERT: 1 305 GLU cc_start: 0.9232 (mp0) cc_final: 0.8994 (mp0) REVERT: 2 46 VAL cc_start: 0.8812 (OUTLIER) cc_final: 0.8534 (t) REVERT: 2 110 TYR cc_start: 0.8476 (t80) cc_final: 0.8229 (t80) outliers start: 120 outliers final: 12 residues processed: 5223 average time/residue: 2.0386 time to fit residues: 15673.6181 Evaluate side-chains 2913 residues out of total 17520 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 25 poor density : 2888 time to evaluate : 12.794 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 46 VAL Chi-restraints excluded: chain B residue 46 VAL Chi-restraints excluded: chain E residue 46 VAL Chi-restraints excluded: chain G residue 46 VAL Chi-restraints excluded: chain J residue 46 VAL Chi-restraints excluded: chain L residue 46 VAL Chi-restraints excluded: chain M residue 46 VAL Chi-restraints excluded: chain O residue 46 VAL Chi-restraints excluded: chain R residue 46 VAL Chi-restraints excluded: chain S residue 46 VAL Chi-restraints excluded: chain U residue 46 VAL Chi-restraints excluded: chain X residue 46 VAL Chi-restraints excluded: chain Z residue 46 VAL Chi-restraints excluded: chain b residue 46 VAL Chi-restraints excluded: chain f residue 46 VAL Chi-restraints excluded: chain i residue 46 VAL Chi-restraints excluded: chain k residue 46 VAL Chi-restraints excluded: chain l residue 46 VAL Chi-restraints excluded: chain m residue 46 VAL Chi-restraints excluded: chain n residue 46 VAL Chi-restraints excluded: chain q residue 46 VAL Chi-restraints excluded: chain t residue 46 VAL Chi-restraints excluded: chain u residue 46 VAL Chi-restraints excluded: chain v residue 46 VAL Chi-restraints excluded: chain 2 residue 46 VAL Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1980 random chunks: chunk 1671 optimal weight: 8.9990 chunk 1500 optimal weight: 2.9990 chunk 832 optimal weight: 0.9990 chunk 512 optimal weight: 0.9990 chunk 1012 optimal weight: 3.9990 chunk 801 optimal weight: 2.9990 chunk 1551 optimal weight: 9.9990 chunk 600 optimal weight: 0.9980 chunk 943 optimal weight: 0.9990 chunk 1155 optimal weight: 10.0000 chunk 1798 optimal weight: 3.9990 overall best weight: 1.3988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 222 HIS A 265 ASN ** A 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 309 GLN A 343 ASN A 357 ASN B 48 GLN B 222 HIS B 265 ASN ** B 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 357 ASN ** C 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 265 ASN ** C 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 284 GLN ** C 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 342 ASN C 357 ASN ** D 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 222 HIS D 241 GLN D 265 ASN ** D 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 357 ASN ** E 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 222 HIS E 265 ASN ** E 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 343 ASN E 357 ASN ** F 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 222 HIS F 265 ASN ** F 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 309 GLN ** F 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 343 ASN F 357 ASN ** G 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 222 HIS G 265 ASN ** G 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 342 ASN G 343 ASN G 357 ASN ** H 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 222 HIS H 241 GLN H 265 ASN ** H 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 357 ASN ** I 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 265 ASN ** I 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** I 284 GLN ** I 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 342 ASN I 357 ASN J 48 GLN J 222 HIS J 265 ASN ** J 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 357 ASN ** K 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 265 ASN ** K 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** K 284 GLN ** K 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 357 ASN L 48 GLN L 222 HIS L 265 ASN ** L 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 357 ASN ** M 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 222 HIS M 265 ASN ** M 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 342 ASN M 343 ASN ** N 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 222 HIS N 241 GLN N 265 ASN ** N 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 357 ASN ** O 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 222 HIS O 265 ASN ** O 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 342 ASN O 343 ASN O 357 ASN ** P 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 222 HIS P 241 GLN P 265 ASN ** P 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 357 ASN ** Q 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 265 ASN ** Q 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Q 284 GLN ** Q 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 342 ASN Q 357 ASN R 48 GLN R 222 HIS R 265 ASN ** R 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 357 ASN S 48 GLN S 222 HIS S 265 ASN ** S 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 357 ASN ** T 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 265 ASN ** T 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** T 284 GLN ** T 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 357 ASN U 48 GLN U 222 HIS U 265 ASN ** U 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 357 ASN ** V 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 265 ASN ** V 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** V 284 GLN ** V 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 342 ASN V 357 ASN ** W 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 222 HIS W 241 GLN W 265 ASN ** W 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 357 ASN ** X 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 222 HIS X 265 ASN ** X 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 342 ASN X 343 ASN X 357 ASN ** Y 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 222 HIS Y 241 GLN Y 265 ASN ** Y 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 357 ASN ** Z 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 222 HIS Z 265 ASN ** Z 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 343 ASN Z 357 ASN ** 8 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 222 HIS 8 265 ASN ** 8 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 309 GLN 8 343 ASN 8 357 ASN ** 7 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 222 HIS 7 265 ASN ** 7 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 309 GLN 7 343 ASN 7 357 ASN ** 6 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 222 HIS 6 265 ASN ** 6 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 309 GLN 6 343 ASN 6 357 ASN ** 5 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 222 HIS 5 265 ASN ** 5 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 309 GLN 5 343 ASN 5 357 ASN ** 4 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 222 HIS 4 265 ASN ** 4 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 309 GLN ** 4 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 343 ASN ** 3 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 222 HIS 3 265 ASN ** 3 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 309 GLN 3 343 ASN 3 357 ASN ** a 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 265 ASN ** a 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** a 284 GLN ** a 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 357 ASN ** b 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 222 HIS b 265 ASN ** b 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 343 ASN b 357 ASN ** c 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 222 HIS c 241 GLN c 265 ASN ** c 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 357 ASN ** d 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 222 HIS d 241 GLN d 265 ASN ** d 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 357 ASN ** e 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 222 HIS e 241 GLN e 265 ASN ** e 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 357 ASN ** f 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 222 HIS f 265 ASN ** f 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 343 ASN f 357 ASN ** g 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 265 ASN ** g 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** g 284 GLN ** g 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 342 ASN g 357 ASN ** h 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 222 HIS h 265 ASN ** h 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 309 GLN ** h 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 343 ASN h 357 ASN ** i 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 222 HIS i 265 ASN ** i 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 342 ASN i 343 ASN i 357 ASN ** j 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 265 ASN ** j 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** j 284 GLN ** j 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 342 ASN j 357 ASN k 48 GLN k 222 HIS k 265 ASN ** k 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 357 ASN l 48 GLN l 222 HIS l 265 ASN ** l 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 357 ASN m 48 GLN m 222 HIS m 265 ASN ** m 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 357 ASN ** n 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 222 HIS n 265 ASN ** n 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 343 ASN n 357 ASN ** o 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 265 ASN ** o 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** o 284 GLN ** o 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 357 ASN ** p 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 222 HIS p 265 ASN ** p 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 309 GLN ** p 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 343 ASN p 357 ASN ** q 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 222 HIS q 265 ASN ** q 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 342 ASN q 343 ASN q 357 ASN ** r 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 265 ASN ** r 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** r 284 GLN ** r 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 342 ASN r 357 ASN ** s 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 222 HIS s 265 ASN ** s 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 309 GLN ** s 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 343 ASN s 357 ASN t 48 GLN t 222 HIS t 265 ASN ** t 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 357 ASN u 48 GLN u 222 HIS u 265 ASN ** u 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 357 ASN v 48 GLN v 222 HIS v 265 ASN ** v 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 357 ASN ** w 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 222 HIS w 265 ASN ** w 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 309 GLN ** w 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 343 ASN w 357 ASN ** x 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 265 ASN ** x 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** x 284 GLN ** x 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 357 ASN ** y 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 222 HIS y 241 GLN y 265 ASN ** y 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 357 ASN ** z 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 222 HIS z 241 GLN z 265 ASN ** z 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 357 ASN ** 1 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 222 HIS 1 241 GLN 1 265 ASN ** 1 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 357 ASN ** 2 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 222 HIS 2 265 ASN ** 2 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 342 ASN 2 343 ASN 2 357 ASN Total number of N/Q/H flips: 252 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8417 moved from start: 0.2285 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.050 161760 Z= 0.290 Angle : 0.658 5.179 220140 Z= 0.357 Chirality : 0.052 0.186 24060 Planarity : 0.005 0.041 28500 Dihedral : 6.247 20.524 21685 Min Nonbonded Distance : 2.059 Molprobity Statistics. All-atom Clashscore : 19.11 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.07 % Favored : 95.93 % Rotamer: Outliers : 3.71 % Allowed : 11.25 % Favored : 85.04 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.42 (0.05), residues: 19920 helix: -3.87 (0.10), residues: 1200 sheet: -0.09 (0.06), residues: 6060 loop : -1.09 (0.05), residues: 12660 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.033 0.003 TRP W 211 HIS 0.014 0.002 HIS O 159 PHE 0.020 0.003 PHE F 301 TYR 0.017 0.002 TYR 6 330 ARG 0.003 0.001 ARG q 279 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 39840 Ramachandran restraints generated. 19920 Oldfield, 0 Emsley, 19920 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 39840 Ramachandran restraints generated. 19920 Oldfield, 0 Emsley, 19920 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3914 residues out of total 17520 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 650 poor density : 3264 time to evaluate : 12.394 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: B 305 GLU cc_start: 0.9255 (mp0) cc_final: 0.9044 (mp0) REVERT: C 110 TYR cc_start: 0.8308 (t80) cc_final: 0.8070 (t80) REVERT: D 61 ARG cc_start: 0.7727 (OUTLIER) cc_final: 0.7506 (mtt90) REVERT: D 284 GLN cc_start: 0.8409 (OUTLIER) cc_final: 0.7585 (mp10) REVERT: H 61 ARG cc_start: 0.7722 (OUTLIER) cc_final: 0.7497 (mtt90) REVERT: H 284 GLN cc_start: 0.8388 (OUTLIER) cc_final: 0.7574 (mp10) REVERT: I 110 TYR cc_start: 0.8293 (t80) cc_final: 0.8068 (t80) REVERT: K 110 TYR cc_start: 0.8301 (t80) cc_final: 0.8069 (t80) REVERT: M 239 VAL cc_start: 0.9049 (OUTLIER) cc_final: 0.8847 (m) REVERT: N 61 ARG cc_start: 0.7728 (OUTLIER) cc_final: 0.7507 (mtt90) REVERT: N 284 GLN cc_start: 0.8387 (OUTLIER) cc_final: 0.7579 (mp10) REVERT: P 61 ARG cc_start: 0.7718 (OUTLIER) cc_final: 0.7495 (mtt90) REVERT: P 284 GLN cc_start: 0.8384 (OUTLIER) cc_final: 0.7571 (mp10) REVERT: Q 110 TYR cc_start: 0.8292 (t80) cc_final: 0.8068 (t80) REVERT: R 305 GLU cc_start: 0.9257 (mp0) cc_final: 0.9047 (mp0) REVERT: T 110 TYR cc_start: 0.8300 (t80) cc_final: 0.8069 (t80) REVERT: V 110 TYR cc_start: 0.8299 (t80) cc_final: 0.8067 (t80) REVERT: W 61 ARG cc_start: 0.7725 (OUTLIER) cc_final: 0.7503 (mtt90) REVERT: W 284 GLN cc_start: 0.8415 (OUTLIER) cc_final: 0.7590 (mp10) REVERT: Y 61 ARG cc_start: 0.7730 (OUTLIER) cc_final: 0.7507 (mtt90) REVERT: Y 284 GLN cc_start: 0.8387 (OUTLIER) cc_final: 0.7581 (mp10) REVERT: 8 305 GLU cc_start: 0.9226 (mp0) cc_final: 0.9026 (mp0) REVERT: a 110 TYR cc_start: 0.8303 (t80) cc_final: 0.8065 (t80) REVERT: c 61 ARG cc_start: 0.7730 (OUTLIER) cc_final: 0.7507 (mtt90) REVERT: c 284 GLN cc_start: 0.8387 (OUTLIER) cc_final: 0.7580 (mp10) REVERT: d 61 ARG cc_start: 0.7720 (OUTLIER) cc_final: 0.7496 (mtt90) REVERT: d 284 GLN cc_start: 0.8389 (OUTLIER) cc_final: 0.7578 (mp10) REVERT: e 61 ARG cc_start: 0.7728 (OUTLIER) cc_final: 0.7505 (mtt90) REVERT: e 284 GLN cc_start: 0.8410 (OUTLIER) cc_final: 0.7589 (mp10) REVERT: g 110 TYR cc_start: 0.8301 (t80) cc_final: 0.8070 (t80) REVERT: j 110 TYR cc_start: 0.8298 (t80) cc_final: 0.8069 (t80) REVERT: k 305 GLU cc_start: 0.9258 (mp0) cc_final: 0.9048 (mp0) REVERT: o 110 TYR cc_start: 0.8296 (t80) cc_final: 0.8070 (t80) REVERT: p 239 VAL cc_start: 0.8833 (OUTLIER) cc_final: 0.8613 (m) REVERT: r 110 TYR cc_start: 0.8295 (t80) cc_final: 0.8074 (t80) REVERT: u 305 GLU cc_start: 0.9256 (mp0) cc_final: 0.9045 (mp0) REVERT: x 110 TYR cc_start: 0.8297 (t80) cc_final: 0.8067 (t80) REVERT: y 61 ARG cc_start: 0.7723 (OUTLIER) cc_final: 0.7496 (mtt90) REVERT: y 284 GLN cc_start: 0.8387 (OUTLIER) cc_final: 0.7577 (mp10) REVERT: z 61 ARG cc_start: 0.7729 (OUTLIER) cc_final: 0.7507 (mtt90) REVERT: z 284 GLN cc_start: 0.8386 (OUTLIER) cc_final: 0.7579 (mp10) REVERT: 1 61 ARG cc_start: 0.7727 (OUTLIER) cc_final: 0.7505 (mtt90) REVERT: 1 284 GLN cc_start: 0.8389 (OUTLIER) cc_final: 0.7579 (mp10) outliers start: 650 outliers final: 291 residues processed: 3600 average time/residue: 1.7505 time to fit residues: 9620.3913 Evaluate side-chains 3094 residues out of total 17520 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 317 poor density : 2777 time to evaluate : 12.572 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 61 ARG Chi-restraints excluded: chain A residue 147 THR Chi-restraints excluded: chain A residue 176 THR Chi-restraints excluded: chain A residue 191 SER Chi-restraints excluded: chain A residue 258 ILE Chi-restraints excluded: chain A residue 259 ASN Chi-restraints excluded: chain B residue 61 ARG Chi-restraints excluded: chain B residue 176 THR Chi-restraints excluded: chain B residue 191 SER Chi-restraints excluded: chain B residue 260 VAL Chi-restraints excluded: chain C residue 112 MET Chi-restraints excluded: chain C residue 148 THR Chi-restraints excluded: chain C residue 176 THR Chi-restraints excluded: chain C residue 239 VAL Chi-restraints excluded: chain C residue 260 VAL Chi-restraints excluded: chain D residue 61 ARG Chi-restraints excluded: chain D residue 129 SER Chi-restraints excluded: chain D residue 148 THR Chi-restraints excluded: chain D residue 191 SER Chi-restraints excluded: chain D residue 239 VAL Chi-restraints excluded: chain D residue 284 GLN Chi-restraints excluded: chain D residue 318 LEU Chi-restraints excluded: chain E residue 112 MET Chi-restraints excluded: chain E residue 148 THR Chi-restraints excluded: chain E residue 207 LYS Chi-restraints excluded: chain E residue 245 SER Chi-restraints excluded: chain F residue 61 ARG Chi-restraints excluded: chain F residue 135 SER Chi-restraints excluded: chain F residue 147 THR Chi-restraints excluded: chain F residue 148 THR Chi-restraints excluded: chain F residue 176 THR Chi-restraints excluded: chain F residue 191 SER Chi-restraints excluded: chain F residue 258 ILE Chi-restraints excluded: chain F residue 259 ASN Chi-restraints excluded: chain G residue 112 MET Chi-restraints excluded: chain G residue 148 THR Chi-restraints excluded: chain G residue 207 LYS Chi-restraints excluded: chain G residue 245 SER Chi-restraints excluded: chain H residue 61 ARG Chi-restraints excluded: chain H residue 129 SER Chi-restraints excluded: chain H residue 148 THR Chi-restraints excluded: chain H residue 191 SER Chi-restraints excluded: chain H residue 239 VAL Chi-restraints excluded: chain H residue 284 GLN Chi-restraints excluded: chain I residue 112 MET Chi-restraints excluded: chain I residue 148 THR Chi-restraints excluded: chain I residue 176 THR Chi-restraints excluded: chain I residue 239 VAL Chi-restraints excluded: chain I residue 260 VAL Chi-restraints excluded: chain J residue 61 ARG Chi-restraints excluded: chain J residue 176 THR Chi-restraints excluded: chain J residue 191 SER Chi-restraints excluded: chain J residue 260 VAL Chi-restraints excluded: chain K residue 112 MET Chi-restraints excluded: chain K residue 148 THR Chi-restraints excluded: chain K residue 176 THR Chi-restraints excluded: chain K residue 239 VAL Chi-restraints excluded: chain K residue 260 VAL Chi-restraints excluded: chain L residue 61 ARG Chi-restraints excluded: chain L residue 176 THR Chi-restraints excluded: chain L residue 191 SER Chi-restraints excluded: chain L residue 260 VAL Chi-restraints excluded: chain M residue 112 MET Chi-restraints excluded: chain M residue 148 THR Chi-restraints excluded: chain M residue 207 LYS Chi-restraints excluded: chain M residue 239 VAL Chi-restraints excluded: chain M residue 245 SER Chi-restraints excluded: chain N residue 61 ARG Chi-restraints excluded: chain N residue 129 SER Chi-restraints excluded: chain N residue 148 THR Chi-restraints excluded: chain N residue 191 SER Chi-restraints excluded: chain N residue 239 VAL Chi-restraints excluded: chain N residue 284 GLN Chi-restraints excluded: chain N residue 318 LEU Chi-restraints excluded: chain O residue 112 MET Chi-restraints excluded: chain O residue 148 THR Chi-restraints excluded: chain O residue 207 LYS Chi-restraints excluded: chain O residue 245 SER Chi-restraints excluded: chain P residue 61 ARG Chi-restraints excluded: chain P residue 129 SER Chi-restraints excluded: chain P residue 148 THR Chi-restraints excluded: chain P residue 191 SER Chi-restraints excluded: chain P residue 239 VAL Chi-restraints excluded: chain P residue 284 GLN Chi-restraints excluded: chain Q residue 112 MET Chi-restraints excluded: chain Q residue 148 THR Chi-restraints excluded: chain Q residue 176 THR Chi-restraints excluded: chain Q residue 239 VAL Chi-restraints excluded: chain Q residue 260 VAL Chi-restraints excluded: chain R residue 61 ARG Chi-restraints excluded: chain R residue 176 THR Chi-restraints excluded: chain R residue 191 SER Chi-restraints excluded: chain R residue 260 VAL Chi-restraints excluded: chain S residue 61 ARG Chi-restraints excluded: chain S residue 176 THR Chi-restraints excluded: chain S residue 191 SER Chi-restraints excluded: chain S residue 260 VAL Chi-restraints excluded: chain T residue 112 MET Chi-restraints excluded: chain T residue 148 THR Chi-restraints excluded: chain T residue 176 THR Chi-restraints excluded: chain T residue 239 VAL Chi-restraints excluded: chain T residue 260 VAL Chi-restraints excluded: chain U residue 61 ARG Chi-restraints excluded: chain U residue 176 THR Chi-restraints excluded: chain U residue 191 SER Chi-restraints excluded: chain U residue 260 VAL Chi-restraints excluded: chain V residue 112 MET Chi-restraints excluded: chain V residue 148 THR Chi-restraints excluded: chain V residue 176 THR Chi-restraints excluded: chain V residue 239 VAL Chi-restraints excluded: chain V residue 260 VAL Chi-restraints excluded: chain W residue 61 ARG Chi-restraints excluded: chain W residue 129 SER Chi-restraints excluded: chain W residue 148 THR Chi-restraints excluded: chain W residue 191 SER Chi-restraints excluded: chain W residue 239 VAL Chi-restraints excluded: chain W residue 284 GLN Chi-restraints excluded: chain W residue 318 LEU Chi-restraints excluded: chain X residue 112 MET Chi-restraints excluded: chain X residue 148 THR Chi-restraints excluded: chain X residue 207 LYS Chi-restraints excluded: chain X residue 245 SER Chi-restraints excluded: chain Y residue 61 ARG Chi-restraints excluded: chain Y residue 129 SER Chi-restraints excluded: chain Y residue 148 THR Chi-restraints excluded: chain Y residue 191 SER Chi-restraints excluded: chain Y residue 239 VAL Chi-restraints excluded: chain Y residue 284 GLN Chi-restraints excluded: chain Y residue 318 LEU Chi-restraints excluded: chain Z residue 112 MET Chi-restraints excluded: chain Z residue 148 THR Chi-restraints excluded: chain Z residue 207 LYS Chi-restraints excluded: chain Z residue 245 SER Chi-restraints excluded: chain 8 residue 135 SER Chi-restraints excluded: chain 8 residue 147 THR Chi-restraints excluded: chain 8 residue 148 THR Chi-restraints excluded: chain 8 residue 176 THR Chi-restraints excluded: chain 8 residue 191 SER Chi-restraints excluded: chain 8 residue 258 ILE Chi-restraints excluded: chain 7 residue 147 THR Chi-restraints excluded: chain 7 residue 148 THR Chi-restraints excluded: chain 7 residue 176 THR Chi-restraints excluded: chain 7 residue 191 SER Chi-restraints excluded: chain 7 residue 258 ILE Chi-restraints excluded: chain 6 residue 61 ARG Chi-restraints excluded: chain 6 residue 135 SER Chi-restraints excluded: chain 6 residue 147 THR Chi-restraints excluded: chain 6 residue 148 THR Chi-restraints excluded: chain 6 residue 176 THR Chi-restraints excluded: chain 6 residue 191 SER Chi-restraints excluded: chain 6 residue 258 ILE Chi-restraints excluded: chain 6 residue 259 ASN Chi-restraints excluded: chain 5 residue 135 SER Chi-restraints excluded: chain 5 residue 147 THR Chi-restraints excluded: chain 5 residue 148 THR Chi-restraints excluded: chain 5 residue 176 THR Chi-restraints excluded: chain 5 residue 191 SER Chi-restraints excluded: chain 5 residue 258 ILE Chi-restraints excluded: chain 4 residue 61 ARG Chi-restraints excluded: chain 4 residue 135 SER Chi-restraints excluded: chain 4 residue 147 THR Chi-restraints excluded: chain 4 residue 148 THR Chi-restraints excluded: chain 4 residue 176 THR Chi-restraints excluded: chain 4 residue 191 SER Chi-restraints excluded: chain 4 residue 258 ILE Chi-restraints excluded: chain 4 residue 259 ASN Chi-restraints excluded: chain 3 residue 61 ARG Chi-restraints excluded: chain 3 residue 135 SER Chi-restraints excluded: chain 3 residue 147 THR Chi-restraints excluded: chain 3 residue 148 THR Chi-restraints excluded: chain 3 residue 176 THR Chi-restraints excluded: chain 3 residue 191 SER Chi-restraints excluded: chain 3 residue 258 ILE Chi-restraints excluded: chain 3 residue 259 ASN Chi-restraints excluded: chain a residue 112 MET Chi-restraints excluded: chain a residue 148 THR Chi-restraints excluded: chain a residue 176 THR Chi-restraints excluded: chain a residue 239 VAL Chi-restraints excluded: chain a residue 260 VAL Chi-restraints excluded: chain b residue 112 MET Chi-restraints excluded: chain b residue 148 THR Chi-restraints excluded: chain b residue 207 LYS Chi-restraints excluded: chain b residue 245 SER Chi-restraints excluded: chain c residue 61 ARG Chi-restraints excluded: chain c residue 129 SER Chi-restraints excluded: chain c residue 148 THR Chi-restraints excluded: chain c residue 191 SER Chi-restraints excluded: chain c residue 239 VAL Chi-restraints excluded: chain c residue 284 GLN Chi-restraints excluded: chain c residue 318 LEU Chi-restraints excluded: chain d residue 61 ARG Chi-restraints excluded: chain d residue 129 SER Chi-restraints excluded: chain d residue 148 THR Chi-restraints excluded: chain d residue 191 SER Chi-restraints excluded: chain d residue 239 VAL Chi-restraints excluded: chain d residue 284 GLN Chi-restraints excluded: chain e residue 61 ARG Chi-restraints excluded: chain e residue 129 SER Chi-restraints excluded: chain e residue 148 THR Chi-restraints excluded: chain e residue 191 SER Chi-restraints excluded: chain e residue 239 VAL Chi-restraints excluded: chain e residue 284 GLN Chi-restraints excluded: chain e residue 318 LEU Chi-restraints excluded: chain f residue 112 MET Chi-restraints excluded: chain f residue 148 THR Chi-restraints excluded: chain f residue 207 LYS Chi-restraints excluded: chain f residue 245 SER Chi-restraints excluded: chain g residue 112 MET Chi-restraints excluded: chain g residue 148 THR Chi-restraints excluded: chain g residue 176 THR Chi-restraints excluded: chain g residue 239 VAL Chi-restraints excluded: chain g residue 260 VAL Chi-restraints excluded: chain h residue 135 SER Chi-restraints excluded: chain h residue 147 THR Chi-restraints excluded: chain h residue 148 THR Chi-restraints excluded: chain h residue 176 THR Chi-restraints excluded: chain h residue 191 SER Chi-restraints excluded: chain h residue 258 ILE Chi-restraints excluded: chain i residue 112 MET Chi-restraints excluded: chain i residue 148 THR Chi-restraints excluded: chain i residue 207 LYS Chi-restraints excluded: chain i residue 245 SER Chi-restraints excluded: chain j residue 112 MET Chi-restraints excluded: chain j residue 148 THR Chi-restraints excluded: chain j residue 176 THR Chi-restraints excluded: chain j residue 239 VAL Chi-restraints excluded: chain j residue 260 VAL Chi-restraints excluded: chain k residue 61 ARG Chi-restraints excluded: chain k residue 176 THR Chi-restraints excluded: chain k residue 191 SER Chi-restraints excluded: chain k residue 260 VAL Chi-restraints excluded: chain l residue 61 ARG Chi-restraints excluded: chain l residue 176 THR Chi-restraints excluded: chain l residue 191 SER Chi-restraints excluded: chain l residue 260 VAL Chi-restraints excluded: chain m residue 61 ARG Chi-restraints excluded: chain m residue 176 THR Chi-restraints excluded: chain m residue 191 SER Chi-restraints excluded: chain m residue 260 VAL Chi-restraints excluded: chain n residue 112 MET Chi-restraints excluded: chain n residue 148 THR Chi-restraints excluded: chain n residue 207 LYS Chi-restraints excluded: chain n residue 245 SER Chi-restraints excluded: chain o residue 112 MET Chi-restraints excluded: chain o residue 148 THR Chi-restraints excluded: chain o residue 176 THR Chi-restraints excluded: chain o residue 239 VAL Chi-restraints excluded: chain o residue 260 VAL Chi-restraints excluded: chain p residue 147 THR Chi-restraints excluded: chain p residue 176 THR Chi-restraints excluded: chain p residue 191 SER Chi-restraints excluded: chain p residue 239 VAL Chi-restraints excluded: chain p residue 258 ILE Chi-restraints excluded: chain q residue 112 MET Chi-restraints excluded: chain q residue 148 THR Chi-restraints excluded: chain q residue 207 LYS Chi-restraints excluded: chain q residue 245 SER Chi-restraints excluded: chain r residue 112 MET Chi-restraints excluded: chain r residue 148 THR Chi-restraints excluded: chain r residue 176 THR Chi-restraints excluded: chain r residue 239 VAL Chi-restraints excluded: chain r residue 260 VAL Chi-restraints excluded: chain s residue 61 ARG Chi-restraints excluded: chain s residue 135 SER Chi-restraints excluded: chain s residue 147 THR Chi-restraints excluded: chain s residue 148 THR Chi-restraints excluded: chain s residue 176 THR Chi-restraints excluded: chain s residue 191 SER Chi-restraints excluded: chain s residue 258 ILE Chi-restraints excluded: chain s residue 259 ASN Chi-restraints excluded: chain t residue 61 ARG Chi-restraints excluded: chain t residue 176 THR Chi-restraints excluded: chain t residue 191 SER Chi-restraints excluded: chain t residue 260 VAL Chi-restraints excluded: chain u residue 61 ARG Chi-restraints excluded: chain u residue 176 THR Chi-restraints excluded: chain u residue 191 SER Chi-restraints excluded: chain u residue 260 VAL Chi-restraints excluded: chain v residue 61 ARG Chi-restraints excluded: chain v residue 176 THR Chi-restraints excluded: chain v residue 191 SER Chi-restraints excluded: chain v residue 260 VAL Chi-restraints excluded: chain w residue 135 SER Chi-restraints excluded: chain w residue 147 THR Chi-restraints excluded: chain w residue 148 THR Chi-restraints excluded: chain w residue 176 THR Chi-restraints excluded: chain w residue 191 SER Chi-restraints excluded: chain w residue 258 ILE Chi-restraints excluded: chain x residue 112 MET Chi-restraints excluded: chain x residue 148 THR Chi-restraints excluded: chain x residue 176 THR Chi-restraints excluded: chain x residue 239 VAL Chi-restraints excluded: chain x residue 260 VAL Chi-restraints excluded: chain y residue 61 ARG Chi-restraints excluded: chain y residue 129 SER Chi-restraints excluded: chain y residue 148 THR Chi-restraints excluded: chain y residue 191 SER Chi-restraints excluded: chain y residue 239 VAL Chi-restraints excluded: chain y residue 284 GLN Chi-restraints excluded: chain z residue 61 ARG Chi-restraints excluded: chain z residue 129 SER Chi-restraints excluded: chain z residue 148 THR Chi-restraints excluded: chain z residue 191 SER Chi-restraints excluded: chain z residue 239 VAL Chi-restraints excluded: chain z residue 284 GLN Chi-restraints excluded: chain z residue 318 LEU Chi-restraints excluded: chain 1 residue 61 ARG Chi-restraints excluded: chain 1 residue 129 SER Chi-restraints excluded: chain 1 residue 148 THR Chi-restraints excluded: chain 1 residue 191 SER Chi-restraints excluded: chain 1 residue 239 VAL Chi-restraints excluded: chain 1 residue 284 GLN Chi-restraints excluded: chain 1 residue 318 LEU Chi-restraints excluded: chain 2 residue 112 MET Chi-restraints excluded: chain 2 residue 148 THR Chi-restraints excluded: chain 2 residue 207 LYS Chi-restraints excluded: chain 2 residue 245 SER Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1980 random chunks: chunk 999 optimal weight: 7.9990 chunk 558 optimal weight: 5.9990 chunk 1496 optimal weight: 9.9990 chunk 1224 optimal weight: 4.9990 chunk 496 optimal weight: 0.5980 chunk 1801 optimal weight: 0.7980 chunk 1945 optimal weight: 5.9990 chunk 1604 optimal weight: 0.9980 chunk 1786 optimal weight: 3.9990 chunk 614 optimal weight: 1.9990 chunk 1445 optimal weight: 6.9990 overall best weight: 1.6784 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 213 GLN ** A 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 271 HIS B 368 HIS ** C 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 213 GLN C 241 GLN ** C 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 284 GLN ** C 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 68 ASN ** D 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 271 HIS F 213 GLN ** F 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 271 HIS H 68 ASN ** H 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 271 HIS ** H 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** I 284 GLN ** J 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 271 HIS J 368 HIS ** K 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 213 GLN K 241 GLN ** K 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** K 284 GLN ** K 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 271 HIS L 368 HIS ** M 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 271 HIS M 357 ASN N 68 ASN ** N 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 271 HIS P 68 ASN ** P 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 271 HIS ** P 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Q 284 GLN ** R 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 271 HIS R 368 HIS ** S 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 271 HIS S 368 HIS ** T 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** T 213 GLN T 241 GLN ** T 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** T 284 GLN ** T 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 271 HIS U 368 HIS ** V 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** V 213 GLN V 241 GLN ** V 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** V 284 GLN ** V 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 68 ASN ** W 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 271 HIS ** W 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 271 HIS Y 68 ASN ** Y 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 271 HIS ** Y 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 271 HIS Z 342 ASN ** 8 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 213 GLN ** 8 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 345 GLN ** 7 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 213 GLN ** 6 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 213 GLN ** 5 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 213 GLN ** 4 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 357 ASN 3 213 GLN ** 3 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 213 GLN ** a 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** a 284 GLN ** a 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 271 HIS c 68 ASN ** c 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 271 HIS ** c 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 68 ASN ** d 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 271 HIS ** d 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 68 ASN ** e 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 271 HIS ** e 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 271 HIS f 342 ASN ** g 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 213 GLN g 241 GLN ** g 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** g 284 GLN ** g 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 213 GLN ** h 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** i 271 HIS ** j 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 213 GLN j 241 GLN ** j 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** j 284 GLN ** j 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 271 HIS k 368 HIS ** l 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 271 HIS l 368 HIS ** m 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 271 HIS m 368 HIS ** n 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 271 HIS ** o 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** o 284 GLN ** p 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 213 GLN ** p 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 271 HIS ** r 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** r 284 GLN ** s 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 213 GLN ** s 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 345 GLN ** t 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** t 271 HIS t 368 HIS ** u 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 271 HIS u 368 HIS ** v 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 271 HIS v 368 HIS w 164 GLN w 213 GLN ** w 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 213 GLN x 241 GLN ** x 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** x 284 GLN ** x 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 68 ASN ** y 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 271 HIS ** y 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 68 ASN ** z 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 68 ASN ** 1 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 271 HIS Total number of N/Q/H flips: 101 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8466 moved from start: 0.2713 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.045 161760 Z= 0.293 Angle : 0.614 5.414 220140 Z= 0.332 Chirality : 0.050 0.181 24060 Planarity : 0.004 0.037 28500 Dihedral : 5.866 20.743 21660 Min Nonbonded Distance : 2.073 Molprobity Statistics. All-atom Clashscore : 15.62 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.18 % Favored : 94.82 % Rotamer: Outliers : 5.43 % Allowed : 13.26 % Favored : 81.31 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.33 (0.05), residues: 19920 helix: -3.27 (0.12), residues: 1200 sheet: -0.25 (0.06), residues: 5940 loop : -0.96 (0.05), residues: 12780 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.026 0.002 TRP V 211 HIS 0.011 0.001 HIS y 159 PHE 0.025 0.003 PHE C 366 TYR 0.015 0.002 TYR o 110 ARG 0.003 0.000 ARG M 356 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 39840 Ramachandran restraints generated. 19920 Oldfield, 0 Emsley, 19920 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 39840 Ramachandran restraints generated. 19920 Oldfield, 0 Emsley, 19920 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3836 residues out of total 17520 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 951 poor density : 2885 time to evaluate : 12.344 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: A 284 GLN cc_start: 0.8490 (OUTLIER) cc_final: 0.8047 (mp10) REVERT: B 61 ARG cc_start: 0.7778 (OUTLIER) cc_final: 0.7501 (mtt90) REVERT: B 284 GLN cc_start: 0.8264 (OUTLIER) cc_final: 0.7810 (mp10) REVERT: B 305 GLU cc_start: 0.9273 (mp0) cc_final: 0.9066 (mp0) REVERT: C 88 MET cc_start: 0.9140 (mmm) cc_final: 0.8902 (mmm) REVERT: D 48 GLN cc_start: 0.8605 (OUTLIER) cc_final: 0.8304 (mt0) REVERT: D 61 ARG cc_start: 0.7843 (OUTLIER) cc_final: 0.7561 (mtt90) REVERT: D 284 GLN cc_start: 0.8426 (OUTLIER) cc_final: 0.7602 (mp10) REVERT: E 61 ARG cc_start: 0.7804 (ttm110) cc_final: 0.7540 (mtt90) REVERT: E 80 MET cc_start: 0.9044 (ptt) cc_final: 0.8600 (ptt) REVERT: E 268 MET cc_start: 0.9075 (mtp) cc_final: 0.8756 (mtp) REVERT: F 284 GLN cc_start: 0.8482 (OUTLIER) cc_final: 0.8037 (mp10) REVERT: G 61 ARG cc_start: 0.7809 (ttm110) cc_final: 0.7543 (mtt90) REVERT: G 80 MET cc_start: 0.9047 (ptt) cc_final: 0.8606 (ptt) REVERT: G 268 MET cc_start: 0.9079 (mtp) cc_final: 0.8763 (mtp) REVERT: H 61 ARG cc_start: 0.7843 (OUTLIER) cc_final: 0.7557 (mtt90) REVERT: H 284 GLN cc_start: 0.8396 (OUTLIER) cc_final: 0.7628 (mp10) REVERT: I 80 MET cc_start: 0.9123 (ptt) cc_final: 0.8796 (ptt) REVERT: I 88 MET cc_start: 0.9122 (mmm) cc_final: 0.8887 (mmm) REVERT: I 207 LYS cc_start: 0.8732 (OUTLIER) cc_final: 0.8392 (mtpp) REVERT: J 61 ARG cc_start: 0.7757 (OUTLIER) cc_final: 0.7481 (mtt90) REVERT: J 284 GLN cc_start: 0.8247 (OUTLIER) cc_final: 0.7792 (mp10) REVERT: K 88 MET cc_start: 0.9132 (mmm) cc_final: 0.8898 (mmm) REVERT: L 61 ARG cc_start: 0.7767 (OUTLIER) cc_final: 0.7490 (mtt90) REVERT: L 284 GLN cc_start: 0.8246 (OUTLIER) cc_final: 0.7792 (mp10) REVERT: M 61 ARG cc_start: 0.7795 (ttm110) cc_final: 0.7539 (mtt90) REVERT: M 80 MET cc_start: 0.9044 (ptt) cc_final: 0.8597 (ptt) REVERT: M 223 ASP cc_start: 0.7891 (m-30) cc_final: 0.7651 (m-30) REVERT: M 259 ASN cc_start: 0.8455 (OUTLIER) cc_final: 0.8165 (m110) REVERT: N 61 ARG cc_start: 0.7846 (OUTLIER) cc_final: 0.7561 (mtt90) REVERT: N 284 GLN cc_start: 0.8393 (OUTLIER) cc_final: 0.7606 (mp10) REVERT: O 61 ARG cc_start: 0.7801 (ttm110) cc_final: 0.7542 (mtt90) REVERT: O 80 MET cc_start: 0.9048 (ptt) cc_final: 0.8599 (ptt) REVERT: O 268 MET cc_start: 0.9073 (mtp) cc_final: 0.8746 (mtp) REVERT: P 61 ARG cc_start: 0.7840 (OUTLIER) cc_final: 0.7555 (mtt90) REVERT: P 284 GLN cc_start: 0.8394 (OUTLIER) cc_final: 0.7627 (mp10) REVERT: Q 80 MET cc_start: 0.9113 (ptt) cc_final: 0.8826 (ptt) REVERT: Q 88 MET cc_start: 0.9121 (mmm) cc_final: 0.8884 (mmm) REVERT: Q 207 LYS cc_start: 0.8733 (OUTLIER) cc_final: 0.8393 (mtpp) REVERT: R 61 ARG cc_start: 0.7776 (OUTLIER) cc_final: 0.7499 (mtt90) REVERT: R 284 GLN cc_start: 0.8248 (OUTLIER) cc_final: 0.7799 (mp10) REVERT: R 305 GLU cc_start: 0.9273 (mp0) cc_final: 0.9065 (mp0) REVERT: S 61 ARG cc_start: 0.7776 (OUTLIER) cc_final: 0.7502 (mtt90) REVERT: S 284 GLN cc_start: 0.8264 (OUTLIER) cc_final: 0.7807 (mp10) REVERT: T 88 MET cc_start: 0.9133 (mmm) cc_final: 0.8900 (mmm) REVERT: U 61 ARG cc_start: 0.7769 (OUTLIER) cc_final: 0.7493 (mtt90) REVERT: U 284 GLN cc_start: 0.8246 (OUTLIER) cc_final: 0.7788 (mp10) REVERT: V 88 MET cc_start: 0.9133 (mmm) cc_final: 0.8899 (mmm) REVERT: W 48 GLN cc_start: 0.8604 (OUTLIER) cc_final: 0.8304 (mt0) REVERT: W 61 ARG cc_start: 0.7849 (OUTLIER) cc_final: 0.7567 (mtt90) REVERT: W 284 GLN cc_start: 0.8427 (OUTLIER) cc_final: 0.7602 (mp10) REVERT: X 61 ARG cc_start: 0.7801 (ttm110) cc_final: 0.7540 (mtt90) REVERT: X 80 MET cc_start: 0.9044 (ptt) cc_final: 0.8603 (ptt) REVERT: X 223 ASP cc_start: 0.7902 (m-30) cc_final: 0.7653 (m-30) REVERT: X 268 MET cc_start: 0.9075 (mtp) cc_final: 0.8753 (mtp) REVERT: Y 61 ARG cc_start: 0.7846 (OUTLIER) cc_final: 0.7562 (mtt90) REVERT: Y 284 GLN cc_start: 0.8396 (OUTLIER) cc_final: 0.7611 (mp10) REVERT: Z 61 ARG cc_start: 0.7804 (ttm110) cc_final: 0.7542 (mtt90) REVERT: Z 80 MET cc_start: 0.9053 (ptt) cc_final: 0.8624 (ptt) REVERT: Z 268 MET cc_start: 0.9075 (mtp) cc_final: 0.8761 (mtp) REVERT: 8 61 ARG cc_start: 0.7714 (OUTLIER) cc_final: 0.6672 (mtm180) REVERT: 8 284 GLN cc_start: 0.8475 (OUTLIER) cc_final: 0.8047 (mp10) REVERT: 7 61 ARG cc_start: 0.7698 (OUTLIER) cc_final: 0.6640 (mtm180) REVERT: 7 284 GLN cc_start: 0.8489 (OUTLIER) cc_final: 0.8053 (mp10) REVERT: 6 284 GLN cc_start: 0.8477 (OUTLIER) cc_final: 0.8048 (mp10) REVERT: 5 61 ARG cc_start: 0.7701 (OUTLIER) cc_final: 0.6656 (mtm180) REVERT: 5 80 MET cc_start: 0.9061 (ptt) cc_final: 0.8848 (ptt) REVERT: 5 284 GLN cc_start: 0.8476 (OUTLIER) cc_final: 0.8048 (mp10) REVERT: 4 284 GLN cc_start: 0.8478 (OUTLIER) cc_final: 0.8049 (mp10) REVERT: 3 284 GLN cc_start: 0.8479 (OUTLIER) cc_final: 0.8050 (mp10) REVERT: a 88 MET cc_start: 0.9136 (mmm) cc_final: 0.8894 (mmm) REVERT: b 61 ARG cc_start: 0.7801 (ttm110) cc_final: 0.7523 (mtt90) REVERT: b 80 MET cc_start: 0.9048 (ptt) cc_final: 0.8608 (ptt) REVERT: b 268 MET cc_start: 0.9072 (mtp) cc_final: 0.8751 (mtp) REVERT: c 61 ARG cc_start: 0.7848 (OUTLIER) cc_final: 0.7562 (mtt90) REVERT: c 284 GLN cc_start: 0.8420 (OUTLIER) cc_final: 0.7597 (mp10) REVERT: d 61 ARG cc_start: 0.7843 (OUTLIER) cc_final: 0.7557 (mtt90) REVERT: d 284 GLN cc_start: 0.8399 (OUTLIER) cc_final: 0.7610 (mp10) REVERT: e 48 GLN cc_start: 0.8605 (OUTLIER) cc_final: 0.8304 (mt0) REVERT: e 61 ARG cc_start: 0.7846 (OUTLIER) cc_final: 0.7563 (mtt90) REVERT: e 284 GLN cc_start: 0.8425 (OUTLIER) cc_final: 0.7602 (mp10) REVERT: f 61 ARG cc_start: 0.7801 (ttm110) cc_final: 0.7539 (mtt90) REVERT: f 80 MET cc_start: 0.9052 (ptt) cc_final: 0.8624 (ptt) REVERT: f 268 MET cc_start: 0.9079 (mtp) cc_final: 0.8764 (mtp) REVERT: g 88 MET cc_start: 0.9137 (mmm) cc_final: 0.8903 (mmm) REVERT: h 61 ARG cc_start: 0.7706 (OUTLIER) cc_final: 0.6682 (mtm180) REVERT: h 284 GLN cc_start: 0.8476 (OUTLIER) cc_final: 0.8046 (mp10) REVERT: i 61 ARG cc_start: 0.7798 (ttm110) cc_final: 0.7542 (mtt90) REVERT: i 80 MET cc_start: 0.9048 (ptt) cc_final: 0.8605 (ptt) REVERT: i 268 MET cc_start: 0.9076 (mtp) cc_final: 0.8751 (mtp) REVERT: j 88 MET cc_start: 0.9136 (mmm) cc_final: 0.8901 (mmm) REVERT: k 61 ARG cc_start: 0.7774 (OUTLIER) cc_final: 0.7498 (mtt90) REVERT: k 284 GLN cc_start: 0.8265 (OUTLIER) cc_final: 0.7812 (mp10) REVERT: k 305 GLU cc_start: 0.9273 (mp0) cc_final: 0.9065 (mp0) REVERT: l 61 ARG cc_start: 0.7767 (OUTLIER) cc_final: 0.7489 (mtt90) REVERT: l 284 GLN cc_start: 0.8245 (OUTLIER) cc_final: 0.7792 (mp10) REVERT: m 61 ARG cc_start: 0.7771 (OUTLIER) cc_final: 0.7492 (mtt90) REVERT: m 284 GLN cc_start: 0.8249 (OUTLIER) cc_final: 0.7796 (mp10) REVERT: n 61 ARG cc_start: 0.7800 (ttm110) cc_final: 0.7530 (mtt90) REVERT: n 80 MET cc_start: 0.9043 (ptt) cc_final: 0.8602 (ptt) REVERT: n 268 MET cc_start: 0.9076 (mtp) cc_final: 0.8760 (mtp) REVERT: o 80 MET cc_start: 0.9127 (ptt) cc_final: 0.8799 (ptt) REVERT: o 88 MET cc_start: 0.9121 (mmm) cc_final: 0.8887 (mmm) REVERT: o 207 LYS cc_start: 0.8728 (OUTLIER) cc_final: 0.8391 (mtpp) REVERT: p 61 ARG cc_start: 0.7679 (OUTLIER) cc_final: 0.6669 (mtm180) REVERT: p 239 VAL cc_start: 0.8890 (OUTLIER) cc_final: 0.8660 (m) REVERT: p 284 GLN cc_start: 0.8480 (OUTLIER) cc_final: 0.8029 (mp10) REVERT: q 61 ARG cc_start: 0.7803 (ttm110) cc_final: 0.7538 (mtt90) REVERT: q 80 MET cc_start: 0.9046 (ptt) cc_final: 0.8607 (ptt) REVERT: q 268 MET cc_start: 0.9078 (mtp) cc_final: 0.8762 (mtp) REVERT: r 80 MET cc_start: 0.9124 (ptt) cc_final: 0.8795 (ptt) REVERT: r 88 MET cc_start: 0.9124 (mmm) cc_final: 0.8895 (mmm) REVERT: r 207 LYS cc_start: 0.8733 (OUTLIER) cc_final: 0.8392 (mtpp) REVERT: s 284 GLN cc_start: 0.8481 (OUTLIER) cc_final: 0.8053 (mp10) REVERT: t 61 ARG cc_start: 0.7770 (OUTLIER) cc_final: 0.7493 (mtt90) REVERT: t 284 GLN cc_start: 0.8264 (OUTLIER) cc_final: 0.7805 (mp10) REVERT: u 61 ARG cc_start: 0.7772 (OUTLIER) cc_final: 0.7493 (mtt90) REVERT: u 284 GLN cc_start: 0.8248 (OUTLIER) cc_final: 0.7796 (mp10) REVERT: u 305 GLU cc_start: 0.9264 (mp0) cc_final: 0.9060 (mp0) REVERT: v 61 ARG cc_start: 0.7772 (OUTLIER) cc_final: 0.7498 (mtt90) REVERT: v 284 GLN cc_start: 0.8245 (OUTLIER) cc_final: 0.7789 (mp10) REVERT: w 61 ARG cc_start: 0.7707 (OUTLIER) cc_final: 0.6678 (mtm180) REVERT: w 284 GLN cc_start: 0.8478 (OUTLIER) cc_final: 0.8049 (mp10) REVERT: x 88 MET cc_start: 0.9137 (mmm) cc_final: 0.8905 (mmm) REVERT: y 61 ARG cc_start: 0.7844 (OUTLIER) cc_final: 0.7563 (mtt90) REVERT: y 284 GLN cc_start: 0.8396 (OUTLIER) cc_final: 0.7609 (mp10) REVERT: z 48 GLN cc_start: 0.8600 (OUTLIER) cc_final: 0.8302 (mt0) REVERT: z 61 ARG cc_start: 0.7847 (OUTLIER) cc_final: 0.7566 (mtt90) REVERT: z 284 GLN cc_start: 0.8424 (OUTLIER) cc_final: 0.7604 (mp10) REVERT: 1 61 ARG cc_start: 0.7845 (OUTLIER) cc_final: 0.7559 (mtt90) REVERT: 1 284 GLN cc_start: 0.8410 (OUTLIER) cc_final: 0.7596 (mp10) REVERT: 2 61 ARG cc_start: 0.7803 (ttm110) cc_final: 0.7524 (mtt90) REVERT: 2 80 MET cc_start: 0.9050 (ptt) cc_final: 0.8602 (ptt) REVERT: 2 268 MET cc_start: 0.9082 (mtp) cc_final: 0.8765 (mtp) outliers start: 951 outliers final: 493 residues processed: 3431 average time/residue: 1.7380 time to fit residues: 9039.8730 Evaluate side-chains 3190 residues out of total 17520 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 569 poor density : 2621 time to evaluate : 12.862 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 61 ARG Chi-restraints excluded: chain A residue 112 MET Chi-restraints excluded: chain A residue 147 THR Chi-restraints excluded: chain A residue 148 THR Chi-restraints excluded: chain A residue 176 THR Chi-restraints excluded: chain A residue 232 SER Chi-restraints excluded: chain A residue 239 VAL Chi-restraints excluded: chain A residue 245 SER Chi-restraints excluded: chain A residue 258 ILE Chi-restraints excluded: chain A residue 259 ASN Chi-restraints excluded: chain A residue 260 VAL Chi-restraints excluded: chain A residue 284 GLN Chi-restraints excluded: chain B residue 57 MET Chi-restraints excluded: chain B residue 61 ARG Chi-restraints excluded: chain B residue 124 VAL Chi-restraints excluded: chain B residue 129 SER Chi-restraints excluded: chain B residue 176 THR Chi-restraints excluded: chain B residue 232 SER Chi-restraints excluded: chain B residue 239 VAL Chi-restraints excluded: chain B residue 260 VAL Chi-restraints excluded: chain B residue 284 GLN Chi-restraints excluded: chain B residue 350 CYS Chi-restraints excluded: chain C residue 112 MET Chi-restraints excluded: chain C residue 148 THR Chi-restraints excluded: chain C residue 176 THR Chi-restraints excluded: chain C residue 232 SER Chi-restraints excluded: chain C residue 239 VAL Chi-restraints excluded: chain C residue 260 VAL Chi-restraints excluded: chain C residue 314 VAL Chi-restraints excluded: chain C residue 318 LEU Chi-restraints excluded: chain C residue 350 CYS Chi-restraints excluded: chain D residue 48 GLN Chi-restraints excluded: chain D residue 57 MET Chi-restraints excluded: chain D residue 61 ARG Chi-restraints excluded: chain D residue 129 SER Chi-restraints excluded: chain D residue 148 THR Chi-restraints excluded: chain D residue 239 VAL Chi-restraints excluded: chain D residue 260 VAL Chi-restraints excluded: chain D residue 284 GLN Chi-restraints excluded: chain D residue 318 LEU Chi-restraints excluded: chain E residue 112 MET Chi-restraints excluded: chain E residue 124 VAL Chi-restraints excluded: chain E residue 148 THR Chi-restraints excluded: chain E residue 207 LYS Chi-restraints excluded: chain E residue 239 VAL Chi-restraints excluded: chain E residue 245 SER Chi-restraints excluded: chain E residue 260 VAL Chi-restraints excluded: chain E residue 281 ASN Chi-restraints excluded: chain F residue 61 ARG Chi-restraints excluded: chain F residue 112 MET Chi-restraints excluded: chain F residue 135 SER Chi-restraints excluded: chain F residue 147 THR Chi-restraints excluded: chain F residue 148 THR Chi-restraints excluded: chain F residue 176 THR Chi-restraints excluded: chain F residue 232 SER Chi-restraints excluded: chain F residue 239 VAL Chi-restraints excluded: chain F residue 245 SER Chi-restraints excluded: chain F residue 258 ILE Chi-restraints excluded: chain F residue 259 ASN Chi-restraints excluded: chain F residue 260 VAL Chi-restraints excluded: chain F residue 284 GLN Chi-restraints excluded: chain G residue 112 MET Chi-restraints excluded: chain G residue 124 VAL Chi-restraints excluded: chain G residue 129 SER Chi-restraints excluded: chain G residue 148 THR Chi-restraints excluded: chain G residue 207 LYS Chi-restraints excluded: chain G residue 239 VAL Chi-restraints excluded: chain G residue 245 SER Chi-restraints excluded: chain G residue 260 VAL Chi-restraints excluded: chain G residue 281 ASN Chi-restraints excluded: chain H residue 57 MET Chi-restraints excluded: chain H residue 61 ARG Chi-restraints excluded: chain H residue 129 SER Chi-restraints excluded: chain H residue 148 THR Chi-restraints excluded: chain H residue 239 VAL Chi-restraints excluded: chain H residue 260 VAL Chi-restraints excluded: chain H residue 284 GLN Chi-restraints excluded: chain I residue 112 MET Chi-restraints excluded: chain I residue 148 THR Chi-restraints excluded: chain I residue 176 THR Chi-restraints excluded: chain I residue 207 LYS Chi-restraints excluded: chain I residue 232 SER Chi-restraints excluded: chain I residue 239 VAL Chi-restraints excluded: chain I residue 260 VAL Chi-restraints excluded: chain I residue 314 VAL Chi-restraints excluded: chain I residue 350 CYS Chi-restraints excluded: chain J residue 57 MET Chi-restraints excluded: chain J residue 61 ARG Chi-restraints excluded: chain J residue 124 VAL Chi-restraints excluded: chain J residue 129 SER Chi-restraints excluded: chain J residue 176 THR Chi-restraints excluded: chain J residue 232 SER Chi-restraints excluded: chain J residue 239 VAL Chi-restraints excluded: chain J residue 260 VAL Chi-restraints excluded: chain J residue 284 GLN Chi-restraints excluded: chain J residue 350 CYS Chi-restraints excluded: chain K residue 112 MET Chi-restraints excluded: chain K residue 148 THR Chi-restraints excluded: chain K residue 176 THR Chi-restraints excluded: chain K residue 232 SER Chi-restraints excluded: chain K residue 239 VAL Chi-restraints excluded: chain K residue 260 VAL Chi-restraints excluded: chain K residue 314 VAL Chi-restraints excluded: chain K residue 350 CYS Chi-restraints excluded: chain L residue 57 MET Chi-restraints excluded: chain L residue 61 ARG Chi-restraints excluded: chain L residue 124 VAL Chi-restraints excluded: chain L residue 129 SER Chi-restraints excluded: chain L residue 176 THR Chi-restraints excluded: chain L residue 232 SER Chi-restraints excluded: chain L residue 239 VAL Chi-restraints excluded: chain L residue 260 VAL Chi-restraints excluded: chain L residue 284 GLN Chi-restraints excluded: chain L residue 350 CYS Chi-restraints excluded: chain M residue 112 MET Chi-restraints excluded: chain M residue 124 VAL Chi-restraints excluded: chain M residue 129 SER Chi-restraints excluded: chain M residue 148 THR Chi-restraints excluded: chain M residue 207 LYS Chi-restraints excluded: chain M residue 245 SER Chi-restraints excluded: chain M residue 259 ASN Chi-restraints excluded: chain M residue 260 VAL Chi-restraints excluded: chain M residue 281 ASN Chi-restraints excluded: chain N residue 57 MET Chi-restraints excluded: chain N residue 61 ARG Chi-restraints excluded: chain N residue 129 SER Chi-restraints excluded: chain N residue 148 THR Chi-restraints excluded: chain N residue 239 VAL Chi-restraints excluded: chain N residue 260 VAL Chi-restraints excluded: chain N residue 284 GLN Chi-restraints excluded: chain N residue 318 LEU Chi-restraints excluded: chain O residue 112 MET Chi-restraints excluded: chain O residue 124 VAL Chi-restraints excluded: chain O residue 148 THR Chi-restraints excluded: chain O residue 207 LYS Chi-restraints excluded: chain O residue 239 VAL Chi-restraints excluded: chain O residue 245 SER Chi-restraints excluded: chain O residue 260 VAL Chi-restraints excluded: chain O residue 281 ASN Chi-restraints excluded: chain P residue 57 MET Chi-restraints excluded: chain P residue 61 ARG Chi-restraints excluded: chain P residue 129 SER Chi-restraints excluded: chain P residue 148 THR Chi-restraints excluded: chain P residue 239 VAL Chi-restraints excluded: chain P residue 260 VAL Chi-restraints excluded: chain P residue 284 GLN Chi-restraints excluded: chain Q residue 112 MET Chi-restraints excluded: chain Q residue 148 THR Chi-restraints excluded: chain Q residue 176 THR Chi-restraints excluded: chain Q residue 207 LYS Chi-restraints excluded: chain Q residue 232 SER Chi-restraints excluded: chain Q residue 239 VAL Chi-restraints excluded: chain Q residue 260 VAL Chi-restraints excluded: chain Q residue 314 VAL Chi-restraints excluded: chain Q residue 350 CYS Chi-restraints excluded: chain R residue 57 MET Chi-restraints excluded: chain R residue 61 ARG Chi-restraints excluded: chain R residue 124 VAL Chi-restraints excluded: chain R residue 129 SER Chi-restraints excluded: chain R residue 176 THR Chi-restraints excluded: chain R residue 232 SER Chi-restraints excluded: chain R residue 239 VAL Chi-restraints excluded: chain R residue 260 VAL Chi-restraints excluded: chain R residue 284 GLN Chi-restraints excluded: chain R residue 350 CYS Chi-restraints excluded: chain S residue 57 MET Chi-restraints excluded: chain S residue 61 ARG Chi-restraints excluded: chain S residue 124 VAL Chi-restraints excluded: chain S residue 129 SER Chi-restraints excluded: chain S residue 176 THR Chi-restraints excluded: chain S residue 232 SER Chi-restraints excluded: chain S residue 239 VAL Chi-restraints excluded: chain S residue 260 VAL Chi-restraints excluded: chain S residue 284 GLN Chi-restraints excluded: chain S residue 350 CYS Chi-restraints excluded: chain T residue 112 MET Chi-restraints excluded: chain T residue 148 THR Chi-restraints excluded: chain T residue 176 THR Chi-restraints excluded: chain T residue 232 SER Chi-restraints excluded: chain T residue 239 VAL Chi-restraints excluded: chain T residue 260 VAL Chi-restraints excluded: chain T residue 314 VAL Chi-restraints excluded: chain T residue 350 CYS Chi-restraints excluded: chain U residue 57 MET Chi-restraints excluded: chain U residue 61 ARG Chi-restraints excluded: chain U residue 124 VAL Chi-restraints excluded: chain U residue 129 SER Chi-restraints excluded: chain U residue 176 THR Chi-restraints excluded: chain U residue 232 SER Chi-restraints excluded: chain U residue 239 VAL Chi-restraints excluded: chain U residue 260 VAL Chi-restraints excluded: chain U residue 284 GLN Chi-restraints excluded: chain U residue 350 CYS Chi-restraints excluded: chain V residue 112 MET Chi-restraints excluded: chain V residue 148 THR Chi-restraints excluded: chain V residue 176 THR Chi-restraints excluded: chain V residue 232 SER Chi-restraints excluded: chain V residue 239 VAL Chi-restraints excluded: chain V residue 260 VAL Chi-restraints excluded: chain V residue 314 VAL Chi-restraints excluded: chain V residue 318 LEU Chi-restraints excluded: chain V residue 350 CYS Chi-restraints excluded: chain W residue 48 GLN Chi-restraints excluded: chain W residue 57 MET Chi-restraints excluded: chain W residue 61 ARG Chi-restraints excluded: chain W residue 129 SER Chi-restraints excluded: chain W residue 148 THR Chi-restraints excluded: chain W residue 239 VAL Chi-restraints excluded: chain W residue 260 VAL Chi-restraints excluded: chain W residue 284 GLN Chi-restraints excluded: chain W residue 318 LEU Chi-restraints excluded: chain X residue 112 MET Chi-restraints excluded: chain X residue 124 VAL Chi-restraints excluded: chain X residue 148 THR Chi-restraints excluded: chain X residue 207 LYS Chi-restraints excluded: chain X residue 239 VAL Chi-restraints excluded: chain X residue 245 SER Chi-restraints excluded: chain X residue 260 VAL Chi-restraints excluded: chain X residue 281 ASN Chi-restraints excluded: chain Y residue 57 MET Chi-restraints excluded: chain Y residue 61 ARG Chi-restraints excluded: chain Y residue 129 SER Chi-restraints excluded: chain Y residue 148 THR Chi-restraints excluded: chain Y residue 239 VAL Chi-restraints excluded: chain Y residue 260 VAL Chi-restraints excluded: chain Y residue 284 GLN Chi-restraints excluded: chain Y residue 318 LEU Chi-restraints excluded: chain Z residue 112 MET Chi-restraints excluded: chain Z residue 124 VAL Chi-restraints excluded: chain Z residue 148 THR Chi-restraints excluded: chain Z residue 207 LYS Chi-restraints excluded: chain Z residue 239 VAL Chi-restraints excluded: chain Z residue 245 SER Chi-restraints excluded: chain Z residue 260 VAL Chi-restraints excluded: chain Z residue 281 ASN Chi-restraints excluded: chain 8 residue 61 ARG Chi-restraints excluded: chain 8 residue 112 MET Chi-restraints excluded: chain 8 residue 135 SER Chi-restraints excluded: chain 8 residue 147 THR Chi-restraints excluded: chain 8 residue 148 THR Chi-restraints excluded: chain 8 residue 176 THR Chi-restraints excluded: chain 8 residue 232 SER Chi-restraints excluded: chain 8 residue 239 VAL Chi-restraints excluded: chain 8 residue 258 ILE Chi-restraints excluded: chain 8 residue 259 ASN Chi-restraints excluded: chain 8 residue 260 VAL Chi-restraints excluded: chain 8 residue 284 GLN Chi-restraints excluded: chain 7 residue 61 ARG Chi-restraints excluded: chain 7 residue 112 MET Chi-restraints excluded: chain 7 residue 147 THR Chi-restraints excluded: chain 7 residue 148 THR Chi-restraints excluded: chain 7 residue 176 THR Chi-restraints excluded: chain 7 residue 182 SER Chi-restraints excluded: chain 7 residue 232 SER Chi-restraints excluded: chain 7 residue 239 VAL Chi-restraints excluded: chain 7 residue 245 SER Chi-restraints excluded: chain 7 residue 258 ILE Chi-restraints excluded: chain 7 residue 259 ASN Chi-restraints excluded: chain 7 residue 260 VAL Chi-restraints excluded: chain 7 residue 284 GLN Chi-restraints excluded: chain 6 residue 50 THR Chi-restraints excluded: chain 6 residue 61 ARG Chi-restraints excluded: chain 6 residue 112 MET Chi-restraints excluded: chain 6 residue 135 SER Chi-restraints excluded: chain 6 residue 147 THR Chi-restraints excluded: chain 6 residue 148 THR Chi-restraints excluded: chain 6 residue 176 THR Chi-restraints excluded: chain 6 residue 232 SER Chi-restraints excluded: chain 6 residue 239 VAL Chi-restraints excluded: chain 6 residue 245 SER Chi-restraints excluded: chain 6 residue 258 ILE Chi-restraints excluded: chain 6 residue 259 ASN Chi-restraints excluded: chain 6 residue 260 VAL Chi-restraints excluded: chain 6 residue 284 GLN Chi-restraints excluded: chain 5 residue 61 ARG Chi-restraints excluded: chain 5 residue 112 MET Chi-restraints excluded: chain 5 residue 135 SER Chi-restraints excluded: chain 5 residue 147 THR Chi-restraints excluded: chain 5 residue 148 THR Chi-restraints excluded: chain 5 residue 176 THR Chi-restraints excluded: chain 5 residue 232 SER Chi-restraints excluded: chain 5 residue 239 VAL Chi-restraints excluded: chain 5 residue 258 ILE Chi-restraints excluded: chain 5 residue 259 ASN Chi-restraints excluded: chain 5 residue 260 VAL Chi-restraints excluded: chain 5 residue 284 GLN Chi-restraints excluded: chain 4 residue 61 ARG Chi-restraints excluded: chain 4 residue 112 MET Chi-restraints excluded: chain 4 residue 135 SER Chi-restraints excluded: chain 4 residue 147 THR Chi-restraints excluded: chain 4 residue 148 THR Chi-restraints excluded: chain 4 residue 176 THR Chi-restraints excluded: chain 4 residue 232 SER Chi-restraints excluded: chain 4 residue 239 VAL Chi-restraints excluded: chain 4 residue 245 SER Chi-restraints excluded: chain 4 residue 258 ILE Chi-restraints excluded: chain 4 residue 259 ASN Chi-restraints excluded: chain 4 residue 260 VAL Chi-restraints excluded: chain 4 residue 284 GLN Chi-restraints excluded: chain 3 residue 50 THR Chi-restraints excluded: chain 3 residue 61 ARG Chi-restraints excluded: chain 3 residue 112 MET Chi-restraints excluded: chain 3 residue 135 SER Chi-restraints excluded: chain 3 residue 147 THR Chi-restraints excluded: chain 3 residue 148 THR Chi-restraints excluded: chain 3 residue 176 THR Chi-restraints excluded: chain 3 residue 232 SER Chi-restraints excluded: chain 3 residue 239 VAL Chi-restraints excluded: chain 3 residue 245 SER Chi-restraints excluded: chain 3 residue 258 ILE Chi-restraints excluded: chain 3 residue 259 ASN Chi-restraints excluded: chain 3 residue 260 VAL Chi-restraints excluded: chain 3 residue 284 GLN Chi-restraints excluded: chain a residue 112 MET Chi-restraints excluded: chain a residue 148 THR Chi-restraints excluded: chain a residue 176 THR Chi-restraints excluded: chain a residue 232 SER Chi-restraints excluded: chain a residue 239 VAL Chi-restraints excluded: chain a residue 260 VAL Chi-restraints excluded: chain a residue 314 VAL Chi-restraints excluded: chain a residue 350 CYS Chi-restraints excluded: chain b residue 112 MET Chi-restraints excluded: chain b residue 124 VAL Chi-restraints excluded: chain b residue 148 THR Chi-restraints excluded: chain b residue 207 LYS Chi-restraints excluded: chain b residue 239 VAL Chi-restraints excluded: chain b residue 245 SER Chi-restraints excluded: chain b residue 260 VAL Chi-restraints excluded: chain b residue 281 ASN Chi-restraints excluded: chain c residue 57 MET Chi-restraints excluded: chain c residue 61 ARG Chi-restraints excluded: chain c residue 129 SER Chi-restraints excluded: chain c residue 148 THR Chi-restraints excluded: chain c residue 239 VAL Chi-restraints excluded: chain c residue 260 VAL Chi-restraints excluded: chain c residue 284 GLN Chi-restraints excluded: chain c residue 318 LEU Chi-restraints excluded: chain d residue 57 MET Chi-restraints excluded: chain d residue 61 ARG Chi-restraints excluded: chain d residue 129 SER Chi-restraints excluded: chain d residue 148 THR Chi-restraints excluded: chain d residue 239 VAL Chi-restraints excluded: chain d residue 260 VAL Chi-restraints excluded: chain d residue 284 GLN Chi-restraints excluded: chain e residue 48 GLN Chi-restraints excluded: chain e residue 57 MET Chi-restraints excluded: chain e residue 61 ARG Chi-restraints excluded: chain e residue 129 SER Chi-restraints excluded: chain e residue 148 THR Chi-restraints excluded: chain e residue 239 VAL Chi-restraints excluded: chain e residue 260 VAL Chi-restraints excluded: chain e residue 284 GLN Chi-restraints excluded: chain e residue 318 LEU Chi-restraints excluded: chain f residue 112 MET Chi-restraints excluded: chain f residue 124 VAL Chi-restraints excluded: chain f residue 148 THR Chi-restraints excluded: chain f residue 207 LYS Chi-restraints excluded: chain f residue 239 VAL Chi-restraints excluded: chain f residue 245 SER Chi-restraints excluded: chain f residue 260 VAL Chi-restraints excluded: chain f residue 281 ASN Chi-restraints excluded: chain g residue 112 MET Chi-restraints excluded: chain g residue 148 THR Chi-restraints excluded: chain g residue 176 THR Chi-restraints excluded: chain g residue 232 SER Chi-restraints excluded: chain g residue 239 VAL Chi-restraints excluded: chain g residue 260 VAL Chi-restraints excluded: chain g residue 314 VAL Chi-restraints excluded: chain g residue 350 CYS Chi-restraints excluded: chain h residue 61 ARG Chi-restraints excluded: chain h residue 112 MET Chi-restraints excluded: chain h residue 135 SER Chi-restraints excluded: chain h residue 147 THR Chi-restraints excluded: chain h residue 148 THR Chi-restraints excluded: chain h residue 176 THR Chi-restraints excluded: chain h residue 232 SER Chi-restraints excluded: chain h residue 239 VAL Chi-restraints excluded: chain h residue 258 ILE Chi-restraints excluded: chain h residue 259 ASN Chi-restraints excluded: chain h residue 260 VAL Chi-restraints excluded: chain h residue 284 GLN Chi-restraints excluded: chain i residue 112 MET Chi-restraints excluded: chain i residue 124 VAL Chi-restraints excluded: chain i residue 148 THR Chi-restraints excluded: chain i residue 207 LYS Chi-restraints excluded: chain i residue 239 VAL Chi-restraints excluded: chain i residue 245 SER Chi-restraints excluded: chain i residue 260 VAL Chi-restraints excluded: chain i residue 281 ASN Chi-restraints excluded: chain j residue 112 MET Chi-restraints excluded: chain j residue 148 THR Chi-restraints excluded: chain j residue 176 THR Chi-restraints excluded: chain j residue 232 SER Chi-restraints excluded: chain j residue 239 VAL Chi-restraints excluded: chain j residue 260 VAL Chi-restraints excluded: chain j residue 314 VAL Chi-restraints excluded: chain j residue 350 CYS Chi-restraints excluded: chain k residue 57 MET Chi-restraints excluded: chain k residue 61 ARG Chi-restraints excluded: chain k residue 124 VAL Chi-restraints excluded: chain k residue 129 SER Chi-restraints excluded: chain k residue 176 THR Chi-restraints excluded: chain k residue 232 SER Chi-restraints excluded: chain k residue 239 VAL Chi-restraints excluded: chain k residue 260 VAL Chi-restraints excluded: chain k residue 284 GLN Chi-restraints excluded: chain k residue 350 CYS Chi-restraints excluded: chain l residue 57 MET Chi-restraints excluded: chain l residue 61 ARG Chi-restraints excluded: chain l residue 124 VAL Chi-restraints excluded: chain l residue 129 SER Chi-restraints excluded: chain l residue 176 THR Chi-restraints excluded: chain l residue 232 SER Chi-restraints excluded: chain l residue 239 VAL Chi-restraints excluded: chain l residue 260 VAL Chi-restraints excluded: chain l residue 284 GLN Chi-restraints excluded: chain l residue 350 CYS Chi-restraints excluded: chain m residue 57 MET Chi-restraints excluded: chain m residue 61 ARG Chi-restraints excluded: chain m residue 124 VAL Chi-restraints excluded: chain m residue 129 SER Chi-restraints excluded: chain m residue 176 THR Chi-restraints excluded: chain m residue 232 SER Chi-restraints excluded: chain m residue 239 VAL Chi-restraints excluded: chain m residue 260 VAL Chi-restraints excluded: chain m residue 284 GLN Chi-restraints excluded: chain m residue 350 CYS Chi-restraints excluded: chain n residue 112 MET Chi-restraints excluded: chain n residue 124 VAL Chi-restraints excluded: chain n residue 148 THR Chi-restraints excluded: chain n residue 182 SER Chi-restraints excluded: chain n residue 207 LYS Chi-restraints excluded: chain n residue 239 VAL Chi-restraints excluded: chain n residue 245 SER Chi-restraints excluded: chain n residue 260 VAL Chi-restraints excluded: chain n residue 281 ASN Chi-restraints excluded: chain o residue 112 MET Chi-restraints excluded: chain o residue 148 THR Chi-restraints excluded: chain o residue 176 THR Chi-restraints excluded: chain o residue 207 LYS Chi-restraints excluded: chain o residue 239 VAL Chi-restraints excluded: chain o residue 260 VAL Chi-restraints excluded: chain o residue 314 VAL Chi-restraints excluded: chain o residue 350 CYS Chi-restraints excluded: chain p residue 61 ARG Chi-restraints excluded: chain p residue 112 MET Chi-restraints excluded: chain p residue 147 THR Chi-restraints excluded: chain p residue 148 THR Chi-restraints excluded: chain p residue 176 THR Chi-restraints excluded: chain p residue 232 SER Chi-restraints excluded: chain p residue 239 VAL Chi-restraints excluded: chain p residue 258 ILE Chi-restraints excluded: chain p residue 259 ASN Chi-restraints excluded: chain p residue 260 VAL Chi-restraints excluded: chain p residue 284 GLN Chi-restraints excluded: chain q residue 112 MET Chi-restraints excluded: chain q residue 124 VAL Chi-restraints excluded: chain q residue 148 THR Chi-restraints excluded: chain q residue 182 SER Chi-restraints excluded: chain q residue 207 LYS Chi-restraints excluded: chain q residue 239 VAL Chi-restraints excluded: chain q residue 245 SER Chi-restraints excluded: chain q residue 260 VAL Chi-restraints excluded: chain q residue 281 ASN Chi-restraints excluded: chain r residue 112 MET Chi-restraints excluded: chain r residue 148 THR Chi-restraints excluded: chain r residue 176 THR Chi-restraints excluded: chain r residue 207 LYS Chi-restraints excluded: chain r residue 239 VAL Chi-restraints excluded: chain r residue 260 VAL Chi-restraints excluded: chain r residue 314 VAL Chi-restraints excluded: chain r residue 318 LEU Chi-restraints excluded: chain r residue 350 CYS Chi-restraints excluded: chain s residue 50 THR Chi-restraints excluded: chain s residue 61 ARG Chi-restraints excluded: chain s residue 112 MET Chi-restraints excluded: chain s residue 135 SER Chi-restraints excluded: chain s residue 147 THR Chi-restraints excluded: chain s residue 148 THR Chi-restraints excluded: chain s residue 176 THR Chi-restraints excluded: chain s residue 232 SER Chi-restraints excluded: chain s residue 239 VAL Chi-restraints excluded: chain s residue 245 SER Chi-restraints excluded: chain s residue 258 ILE Chi-restraints excluded: chain s residue 259 ASN Chi-restraints excluded: chain s residue 260 VAL Chi-restraints excluded: chain s residue 284 GLN Chi-restraints excluded: chain t residue 57 MET Chi-restraints excluded: chain t residue 61 ARG Chi-restraints excluded: chain t residue 124 VAL Chi-restraints excluded: chain t residue 129 SER Chi-restraints excluded: chain t residue 176 THR Chi-restraints excluded: chain t residue 232 SER Chi-restraints excluded: chain t residue 239 VAL Chi-restraints excluded: chain t residue 260 VAL Chi-restraints excluded: chain t residue 284 GLN Chi-restraints excluded: chain t residue 350 CYS Chi-restraints excluded: chain u residue 57 MET Chi-restraints excluded: chain u residue 61 ARG Chi-restraints excluded: chain u residue 124 VAL Chi-restraints excluded: chain u residue 129 SER Chi-restraints excluded: chain u residue 176 THR Chi-restraints excluded: chain u residue 232 SER Chi-restraints excluded: chain u residue 239 VAL Chi-restraints excluded: chain u residue 260 VAL Chi-restraints excluded: chain u residue 284 GLN Chi-restraints excluded: chain u residue 350 CYS Chi-restraints excluded: chain v residue 57 MET Chi-restraints excluded: chain v residue 61 ARG Chi-restraints excluded: chain v residue 124 VAL Chi-restraints excluded: chain v residue 129 SER Chi-restraints excluded: chain v residue 176 THR Chi-restraints excluded: chain v residue 232 SER Chi-restraints excluded: chain v residue 239 VAL Chi-restraints excluded: chain v residue 260 VAL Chi-restraints excluded: chain v residue 284 GLN Chi-restraints excluded: chain v residue 350 CYS Chi-restraints excluded: chain w residue 61 ARG Chi-restraints excluded: chain w residue 112 MET Chi-restraints excluded: chain w residue 135 SER Chi-restraints excluded: chain w residue 147 THR Chi-restraints excluded: chain w residue 148 THR Chi-restraints excluded: chain w residue 176 THR Chi-restraints excluded: chain w residue 232 SER Chi-restraints excluded: chain w residue 239 VAL Chi-restraints excluded: chain w residue 258 ILE Chi-restraints excluded: chain w residue 259 ASN Chi-restraints excluded: chain w residue 260 VAL Chi-restraints excluded: chain w residue 284 GLN Chi-restraints excluded: chain x residue 112 MET Chi-restraints excluded: chain x residue 148 THR Chi-restraints excluded: chain x residue 176 THR Chi-restraints excluded: chain x residue 232 SER Chi-restraints excluded: chain x residue 239 VAL Chi-restraints excluded: chain x residue 260 VAL Chi-restraints excluded: chain x residue 314 VAL Chi-restraints excluded: chain x residue 350 CYS Chi-restraints excluded: chain y residue 57 MET Chi-restraints excluded: chain y residue 61 ARG Chi-restraints excluded: chain y residue 129 SER Chi-restraints excluded: chain y residue 148 THR Chi-restraints excluded: chain y residue 239 VAL Chi-restraints excluded: chain y residue 260 VAL Chi-restraints excluded: chain y residue 284 GLN Chi-restraints excluded: chain z residue 48 GLN Chi-restraints excluded: chain z residue 57 MET Chi-restraints excluded: chain z residue 61 ARG Chi-restraints excluded: chain z residue 129 SER Chi-restraints excluded: chain z residue 148 THR Chi-restraints excluded: chain z residue 239 VAL Chi-restraints excluded: chain z residue 260 VAL Chi-restraints excluded: chain z residue 284 GLN Chi-restraints excluded: chain z residue 318 LEU Chi-restraints excluded: chain 1 residue 57 MET Chi-restraints excluded: chain 1 residue 61 ARG Chi-restraints excluded: chain 1 residue 129 SER Chi-restraints excluded: chain 1 residue 148 THR Chi-restraints excluded: chain 1 residue 239 VAL Chi-restraints excluded: chain 1 residue 260 VAL Chi-restraints excluded: chain 1 residue 284 GLN Chi-restraints excluded: chain 1 residue 318 LEU Chi-restraints excluded: chain 2 residue 112 MET Chi-restraints excluded: chain 2 residue 124 VAL Chi-restraints excluded: chain 2 residue 148 THR Chi-restraints excluded: chain 2 residue 207 LYS Chi-restraints excluded: chain 2 residue 239 VAL Chi-restraints excluded: chain 2 residue 245 SER Chi-restraints excluded: chain 2 residue 260 VAL Chi-restraints excluded: chain 2 residue 281 ASN Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1980 random chunks: chunk 1779 optimal weight: 0.9990 chunk 1354 optimal weight: 0.9980 chunk 934 optimal weight: 0.8980 chunk 199 optimal weight: 4.9990 chunk 859 optimal weight: 5.9990 chunk 1209 optimal weight: 2.9990 chunk 1807 optimal weight: 0.8980 chunk 1913 optimal weight: 8.9990 chunk 944 optimal weight: 0.6980 chunk 1713 optimal weight: 2.9990 chunk 515 optimal weight: 0.9990 overall best weight: 0.8982 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A 315 HIS A 319 ASN ** A 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 345 GLN ** B 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 345 GLN B 368 HIS ** C 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 259 ASN ** C 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 284 GLN C 319 ASN C 328 GLN ** D 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 130 ASN ** E 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** F 315 HIS F 319 ASN ** F 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 345 GLN G 130 ASN ** G 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 259 ASN ** I 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** I 284 GLN ** I 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 345 GLN J 368 HIS ** K 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 259 ASN ** K 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** K 284 GLN K 319 ASN K 328 GLN K 342 ASN ** L 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 345 GLN L 368 HIS M 130 ASN ** M 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 130 ASN ** O 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 259 ASN ** Q 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Q 284 GLN ** Q 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 368 HIS ** S 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 345 GLN S 368 HIS ** T 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** T 259 ASN ** T 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** T 284 GLN T 319 ASN T 328 GLN ** U 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 345 GLN U 368 HIS V 130 ASN V 259 ASN ** V 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** V 284 GLN V 319 ASN V 328 GLN ** W 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 130 ASN ** X 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 236 ASN ** Y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 130 ASN 8 164 GLN ** 8 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 8 315 HIS 8 319 ASN ** 8 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 7 315 HIS 7 319 ASN ** 7 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 345 GLN ** 6 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 6 315 HIS 6 319 ASN ** 6 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 345 GLN ** 5 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 5 315 HIS 5 319 ASN ** 5 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 345 GLN ** 4 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 4 315 HIS 4 319 ASN ** 4 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 345 GLN ** 3 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 3 315 HIS 3 319 ASN ** 3 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 345 GLN ** a 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 259 ASN ** a 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** a 284 GLN ** a 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 328 GLN b 130 ASN ** b 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 342 ASN ** c 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 130 ASN ** f 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 259 ASN ** g 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** g 284 GLN g 319 ASN g 328 GLN ** h 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** h 315 HIS h 319 ASN ** h 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 345 GLN i 130 ASN ** i 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 130 ASN j 259 ASN ** j 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** j 284 GLN ** j 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 328 GLN ** k 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 368 HIS ** l 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 345 GLN l 368 HIS ** m 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 368 HIS n 130 ASN ** n 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 259 ASN ** o 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** o 284 GLN o 319 ASN ** o 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** p 315 HIS p 319 ASN ** p 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 345 GLN q 130 ASN ** q 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 259 ASN ** r 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** r 284 GLN r 319 ASN ** r 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 164 GLN ** s 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** s 315 HIS s 319 ASN ** s 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 345 GLN t 368 HIS ** u 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 345 GLN u 368 HIS ** v 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 345 GLN v 368 HIS ** w 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** w 315 HIS w 319 ASN ** w 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 345 GLN ** x 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 259 ASN ** x 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** x 284 GLN x 328 GLN ** y 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 271 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 130 ASN ** 2 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 113 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8407 moved from start: 0.3127 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.035 161760 Z= 0.201 Angle : 0.550 5.224 220140 Z= 0.298 Chirality : 0.047 0.162 24060 Planarity : 0.003 0.031 28500 Dihedral : 5.452 19.231 21660 Min Nonbonded Distance : 2.096 Molprobity Statistics. All-atom Clashscore : 14.35 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.40 % Favored : 95.60 % Rotamer: Outliers : 4.51 % Allowed : 15.91 % Favored : 79.57 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.15 (0.06), residues: 19920 helix: -3.05 (0.13), residues: 1200 sheet: -0.23 (0.06), residues: 6060 loop : -0.78 (0.05), residues: 12660 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.019 0.001 TRP i 211 HIS 0.008 0.001 HIS O 159 PHE 0.031 0.002 PHE Q 366 TYR 0.012 0.001 TYR w 330 ARG 0.002 0.000 ARG n 279 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 39840 Ramachandran restraints generated. 19920 Oldfield, 0 Emsley, 19920 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 39840 Ramachandran restraints generated. 19920 Oldfield, 0 Emsley, 19920 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3704 residues out of total 17520 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 791 poor density : 2913 time to evaluate : 12.381 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: A 61 ARG cc_start: 0.7661 (OUTLIER) cc_final: 0.7427 (mtt90) REVERT: A 80 MET cc_start: 0.9068 (OUTLIER) cc_final: 0.8718 (ptt) REVERT: A 284 GLN cc_start: 0.8395 (OUTLIER) cc_final: 0.7927 (mp10) REVERT: B 61 ARG cc_start: 0.7602 (OUTLIER) cc_final: 0.7323 (mtt90) REVERT: C 88 MET cc_start: 0.9093 (mmm) cc_final: 0.8883 (mmm) REVERT: C 284 GLN cc_start: 0.8148 (OUTLIER) cc_final: 0.7780 (mp-120) REVERT: D 48 GLN cc_start: 0.8508 (OUTLIER) cc_final: 0.8244 (mt0) REVERT: D 80 MET cc_start: 0.8967 (OUTLIER) cc_final: 0.8691 (ptp) REVERT: D 110 TYR cc_start: 0.7971 (t80) cc_final: 0.7374 (t80) REVERT: D 112 MET cc_start: 0.8627 (ppp) cc_final: 0.8382 (tmt) REVERT: D 280 THR cc_start: 0.8473 (p) cc_final: 0.8248 (p) REVERT: D 284 GLN cc_start: 0.8369 (OUTLIER) cc_final: 0.7541 (mp10) REVERT: E 80 MET cc_start: 0.8976 (ptt) cc_final: 0.8543 (ptt) REVERT: E 207 LYS cc_start: 0.8511 (OUTLIER) cc_final: 0.8308 (mtpp) REVERT: F 61 ARG cc_start: 0.7650 (OUTLIER) cc_final: 0.7418 (mtt90) REVERT: F 80 MET cc_start: 0.9082 (OUTLIER) cc_final: 0.8713 (ptt) REVERT: F 284 GLN cc_start: 0.8387 (OUTLIER) cc_final: 0.7903 (mp10) REVERT: G 80 MET cc_start: 0.8984 (ptt) cc_final: 0.8556 (ptt) REVERT: G 207 LYS cc_start: 0.8513 (OUTLIER) cc_final: 0.8309 (mtpp) REVERT: H 48 GLN cc_start: 0.8517 (pt0) cc_final: 0.8296 (mt0) REVERT: H 80 MET cc_start: 0.8963 (OUTLIER) cc_final: 0.8706 (ptp) REVERT: H 110 TYR cc_start: 0.8063 (t80) cc_final: 0.7441 (t80) REVERT: H 112 MET cc_start: 0.8622 (ppp) cc_final: 0.8375 (tmt) REVERT: H 280 THR cc_start: 0.8470 (p) cc_final: 0.8233 (p) REVERT: H 284 GLN cc_start: 0.8335 (OUTLIER) cc_final: 0.7512 (mp10) REVERT: I 80 MET cc_start: 0.9051 (ptt) cc_final: 0.8683 (ptt) REVERT: I 88 MET cc_start: 0.9092 (mmm) cc_final: 0.8874 (mmm) REVERT: I 207 LYS cc_start: 0.8685 (OUTLIER) cc_final: 0.8394 (mtpp) REVERT: I 284 GLN cc_start: 0.8128 (OUTLIER) cc_final: 0.7755 (mp-120) REVERT: J 61 ARG cc_start: 0.7592 (OUTLIER) cc_final: 0.7313 (mtt90) REVERT: K 88 MET cc_start: 0.9089 (mmm) cc_final: 0.8877 (mmm) REVERT: K 284 GLN cc_start: 0.8126 (OUTLIER) cc_final: 0.7763 (mp-120) REVERT: L 61 ARG cc_start: 0.7592 (OUTLIER) cc_final: 0.7315 (mtt90) REVERT: M 80 MET cc_start: 0.8972 (ptt) cc_final: 0.8542 (ptt) REVERT: M 207 LYS cc_start: 0.8519 (OUTLIER) cc_final: 0.8318 (mtpp) REVERT: M 268 MET cc_start: 0.8959 (mtp) cc_final: 0.8743 (mtp) REVERT: N 48 GLN cc_start: 0.8527 (pt0) cc_final: 0.8304 (mt0) REVERT: N 80 MET cc_start: 0.8973 (OUTLIER) cc_final: 0.8692 (ptp) REVERT: N 110 TYR cc_start: 0.7970 (t80) cc_final: 0.7376 (t80) REVERT: N 112 MET cc_start: 0.8627 (ppp) cc_final: 0.8381 (tmt) REVERT: N 284 GLN cc_start: 0.8331 (OUTLIER) cc_final: 0.7525 (mp10) REVERT: O 80 MET cc_start: 0.8983 (ptt) cc_final: 0.8552 (ptt) REVERT: O 207 LYS cc_start: 0.8510 (OUTLIER) cc_final: 0.8302 (mtpp) REVERT: P 48 GLN cc_start: 0.8526 (pt0) cc_final: 0.8306 (mt0) REVERT: P 80 MET cc_start: 0.8964 (OUTLIER) cc_final: 0.8708 (ptp) REVERT: P 110 TYR cc_start: 0.8068 (t80) cc_final: 0.7440 (t80) REVERT: P 112 MET cc_start: 0.8623 (ppp) cc_final: 0.8379 (tmt) REVERT: P 280 THR cc_start: 0.8490 (p) cc_final: 0.8241 (p) REVERT: P 284 GLN cc_start: 0.8343 (OUTLIER) cc_final: 0.7505 (mp10) REVERT: Q 80 MET cc_start: 0.9026 (ptt) cc_final: 0.8688 (ptt) REVERT: Q 88 MET cc_start: 0.9094 (mmm) cc_final: 0.8880 (mmm) REVERT: Q 207 LYS cc_start: 0.8686 (OUTLIER) cc_final: 0.8391 (mtpp) REVERT: Q 284 GLN cc_start: 0.8125 (OUTLIER) cc_final: 0.7756 (mp-120) REVERT: R 61 ARG cc_start: 0.7604 (OUTLIER) cc_final: 0.7326 (mtt90) REVERT: S 61 ARG cc_start: 0.7600 (OUTLIER) cc_final: 0.7323 (mtt90) REVERT: T 88 MET cc_start: 0.9091 (mmm) cc_final: 0.8880 (mmm) REVERT: T 284 GLN cc_start: 0.8127 (OUTLIER) cc_final: 0.7760 (mp-120) REVERT: U 61 ARG cc_start: 0.7594 (OUTLIER) cc_final: 0.7317 (mtt90) REVERT: V 284 GLN cc_start: 0.8127 (OUTLIER) cc_final: 0.7760 (mp-120) REVERT: W 48 GLN cc_start: 0.8504 (OUTLIER) cc_final: 0.8238 (mt0) REVERT: W 80 MET cc_start: 0.8963 (OUTLIER) cc_final: 0.8680 (ptp) REVERT: W 110 TYR cc_start: 0.7967 (t80) cc_final: 0.7363 (t80) REVERT: W 112 MET cc_start: 0.8628 (ppp) cc_final: 0.8378 (tmt) REVERT: W 280 THR cc_start: 0.8488 (p) cc_final: 0.8266 (p) REVERT: W 284 GLN cc_start: 0.8369 (OUTLIER) cc_final: 0.7540 (mp10) REVERT: X 80 MET cc_start: 0.8985 (ptt) cc_final: 0.8555 (ptt) REVERT: X 207 LYS cc_start: 0.8515 (OUTLIER) cc_final: 0.8310 (mtpp) REVERT: Y 48 GLN cc_start: 0.8520 (pt0) cc_final: 0.8303 (mt0) REVERT: Y 80 MET cc_start: 0.8963 (OUTLIER) cc_final: 0.8693 (ptp) REVERT: Y 110 TYR cc_start: 0.8009 (t80) cc_final: 0.7372 (t80) REVERT: Y 112 MET cc_start: 0.8627 (ppp) cc_final: 0.8381 (tmt) REVERT: Y 284 GLN cc_start: 0.8336 (OUTLIER) cc_final: 0.7528 (mp10) REVERT: Z 80 MET cc_start: 0.8986 (ptt) cc_final: 0.8566 (ptt) REVERT: Z 207 LYS cc_start: 0.8512 (OUTLIER) cc_final: 0.8304 (mtpp) REVERT: 8 61 ARG cc_start: 0.7619 (OUTLIER) cc_final: 0.7250 (mtt90) REVERT: 8 80 MET cc_start: 0.9105 (OUTLIER) cc_final: 0.8768 (ptt) REVERT: 8 284 GLN cc_start: 0.8394 (OUTLIER) cc_final: 0.7928 (mp10) REVERT: 7 61 ARG cc_start: 0.7599 (OUTLIER) cc_final: 0.7225 (mtt90) REVERT: 7 284 GLN cc_start: 0.8398 (OUTLIER) cc_final: 0.7928 (mp10) REVERT: 6 61 ARG cc_start: 0.7646 (OUTLIER) cc_final: 0.7417 (mtt90) REVERT: 6 80 MET cc_start: 0.9076 (OUTLIER) cc_final: 0.8709 (ptt) REVERT: 6 284 GLN cc_start: 0.8389 (OUTLIER) cc_final: 0.7921 (mp10) REVERT: 5 61 ARG cc_start: 0.7612 (OUTLIER) cc_final: 0.7249 (mtt90) REVERT: 5 284 GLN cc_start: 0.8389 (OUTLIER) cc_final: 0.7908 (mp10) REVERT: 4 61 ARG cc_start: 0.7656 (OUTLIER) cc_final: 0.7426 (mtt90) REVERT: 4 284 GLN cc_start: 0.8391 (OUTLIER) cc_final: 0.7921 (mp10) REVERT: 3 61 ARG cc_start: 0.7659 (OUTLIER) cc_final: 0.7425 (mtt90) REVERT: 3 80 MET cc_start: 0.9079 (OUTLIER) cc_final: 0.8710 (ptt) REVERT: 3 284 GLN cc_start: 0.8389 (OUTLIER) cc_final: 0.7919 (mp10) REVERT: 3 322 ASN cc_start: 0.8485 (p0) cc_final: 0.8279 (p0) REVERT: a 88 MET cc_start: 0.9092 (mmm) cc_final: 0.8876 (mmm) REVERT: a 284 GLN cc_start: 0.8150 (OUTLIER) cc_final: 0.7785 (mp-120) REVERT: b 80 MET cc_start: 0.8985 (ptt) cc_final: 0.8555 (ptt) REVERT: b 207 LYS cc_start: 0.8513 (OUTLIER) cc_final: 0.8306 (mtpp) REVERT: c 48 GLN cc_start: 0.8524 (pt0) cc_final: 0.8300 (mt0) REVERT: c 80 MET cc_start: 0.8966 (OUTLIER) cc_final: 0.8692 (ptp) REVERT: c 110 TYR cc_start: 0.7971 (t80) cc_final: 0.7376 (t80) REVERT: c 112 MET cc_start: 0.8627 (ppp) cc_final: 0.8375 (tmt) REVERT: c 280 THR cc_start: 0.8495 (p) cc_final: 0.8276 (p) REVERT: c 284 GLN cc_start: 0.8367 (OUTLIER) cc_final: 0.7537 (mp10) REVERT: d 48 GLN cc_start: 0.8528 (pt0) cc_final: 0.8306 (mt0) REVERT: d 80 MET cc_start: 0.8963 (OUTLIER) cc_final: 0.8708 (ptp) REVERT: d 110 TYR cc_start: 0.8071 (t80) cc_final: 0.7440 (t80) REVERT: d 112 MET cc_start: 0.8626 (ppp) cc_final: 0.8377 (tmt) REVERT: d 284 GLN cc_start: 0.8333 (OUTLIER) cc_final: 0.7531 (mp10) REVERT: e 48 GLN cc_start: 0.8510 (OUTLIER) cc_final: 0.8244 (mt0) REVERT: e 80 MET cc_start: 0.8975 (OUTLIER) cc_final: 0.8699 (ptp) REVERT: e 110 TYR cc_start: 0.8012 (t80) cc_final: 0.7370 (t80) REVERT: e 112 MET cc_start: 0.8627 (ppp) cc_final: 0.8384 (tmt) REVERT: e 280 THR cc_start: 0.8470 (p) cc_final: 0.8245 (p) REVERT: e 284 GLN cc_start: 0.8370 (OUTLIER) cc_final: 0.7542 (mp10) REVERT: f 80 MET cc_start: 0.8986 (ptt) cc_final: 0.8562 (ptt) REVERT: f 207 LYS cc_start: 0.8511 (OUTLIER) cc_final: 0.8298 (mtpp) REVERT: g 88 MET cc_start: 0.9095 (mmm) cc_final: 0.8884 (mmm) REVERT: g 284 GLN cc_start: 0.8126 (OUTLIER) cc_final: 0.7762 (mp-120) REVERT: h 61 ARG cc_start: 0.7628 (OUTLIER) cc_final: 0.7240 (mtt90) REVERT: h 80 MET cc_start: 0.9101 (OUTLIER) cc_final: 0.8766 (ptt) REVERT: h 284 GLN cc_start: 0.8389 (OUTLIER) cc_final: 0.7910 (mp10) REVERT: i 80 MET cc_start: 0.8974 (ptt) cc_final: 0.8533 (ptt) REVERT: i 207 LYS cc_start: 0.8519 (OUTLIER) cc_final: 0.8305 (mtpp) REVERT: j 284 GLN cc_start: 0.8147 (OUTLIER) cc_final: 0.7780 (mp-120) REVERT: k 61 ARG cc_start: 0.7597 (OUTLIER) cc_final: 0.7321 (mtt90) REVERT: l 61 ARG cc_start: 0.7599 (OUTLIER) cc_final: 0.7319 (mtt90) REVERT: m 61 ARG cc_start: 0.7592 (OUTLIER) cc_final: 0.7318 (mtt90) REVERT: n 80 MET cc_start: 0.8977 (ptt) cc_final: 0.8527 (ptt) REVERT: n 207 LYS cc_start: 0.8517 (OUTLIER) cc_final: 0.8300 (mtpp) REVERT: o 80 MET cc_start: 0.9054 (ptt) cc_final: 0.8688 (ptt) REVERT: o 88 MET cc_start: 0.9094 (mmm) cc_final: 0.8879 (mmm) REVERT: o 207 LYS cc_start: 0.8682 (OUTLIER) cc_final: 0.8394 (mtpp) REVERT: o 284 GLN cc_start: 0.8126 (OUTLIER) cc_final: 0.7754 (mp-120) REVERT: p 61 ARG cc_start: 0.7620 (OUTLIER) cc_final: 0.7247 (mtt90) REVERT: p 80 MET cc_start: 0.9095 (OUTLIER) cc_final: 0.8761 (ptt) REVERT: p 246 MET cc_start: 0.9200 (ptp) cc_final: 0.8957 (ptp) REVERT: p 284 GLN cc_start: 0.8387 (OUTLIER) cc_final: 0.7912 (mp10) REVERT: q 80 MET cc_start: 0.8987 (ptt) cc_final: 0.8559 (ptt) REVERT: q 207 LYS cc_start: 0.8508 (OUTLIER) cc_final: 0.8306 (mtpp) REVERT: r 80 MET cc_start: 0.9052 (ptt) cc_final: 0.8683 (ptt) REVERT: r 88 MET cc_start: 0.9090 (mmm) cc_final: 0.8864 (mmm) REVERT: r 207 LYS cc_start: 0.8683 (OUTLIER) cc_final: 0.8387 (mtpp) REVERT: r 284 GLN cc_start: 0.8128 (OUTLIER) cc_final: 0.7755 (mp-120) REVERT: s 61 ARG cc_start: 0.7638 (OUTLIER) cc_final: 0.7411 (mtt90) REVERT: s 284 GLN cc_start: 0.8397 (OUTLIER) cc_final: 0.7918 (mp10) REVERT: t 61 ARG cc_start: 0.7593 (OUTLIER) cc_final: 0.7317 (mtt90) REVERT: u 61 ARG cc_start: 0.7597 (OUTLIER) cc_final: 0.7318 (mtt90) REVERT: v 61 ARG cc_start: 0.7597 (OUTLIER) cc_final: 0.7321 (mtt90) REVERT: w 61 ARG cc_start: 0.7621 (OUTLIER) cc_final: 0.7251 (mtt90) REVERT: w 80 MET cc_start: 0.9061 (ptt) cc_final: 0.8723 (ptt) REVERT: w 284 GLN cc_start: 0.8397 (OUTLIER) cc_final: 0.7927 (mp10) REVERT: x 88 MET cc_start: 0.9095 (mmm) cc_final: 0.8883 (mmm) REVERT: x 284 GLN cc_start: 0.8126 (OUTLIER) cc_final: 0.7760 (mp-120) REVERT: y 48 GLN cc_start: 0.8527 (pt0) cc_final: 0.8308 (mt0) REVERT: y 80 MET cc_start: 0.8962 (OUTLIER) cc_final: 0.8707 (ptp) REVERT: y 110 TYR cc_start: 0.8069 (t80) cc_final: 0.7442 (t80) REVERT: y 112 MET cc_start: 0.8623 (ppp) cc_final: 0.8377 (tmt) REVERT: y 284 GLN cc_start: 0.8334 (OUTLIER) cc_final: 0.7530 (mp10) REVERT: z 48 GLN cc_start: 0.8507 (OUTLIER) cc_final: 0.8240 (mt0) REVERT: z 80 MET cc_start: 0.8967 (OUTLIER) cc_final: 0.8689 (ptp) REVERT: z 110 TYR cc_start: 0.8012 (t80) cc_final: 0.7372 (t80) REVERT: z 112 MET cc_start: 0.8629 (ppp) cc_final: 0.8378 (tmt) REVERT: z 280 THR cc_start: 0.8478 (p) cc_final: 0.8255 (p) REVERT: z 284 GLN cc_start: 0.8368 (OUTLIER) cc_final: 0.7542 (mp10) REVERT: 1 48 GLN cc_start: 0.8531 (pt0) cc_final: 0.8305 (mt0) REVERT: 1 80 MET cc_start: 0.8974 (OUTLIER) cc_final: 0.8693 (ptp) REVERT: 1 110 TYR cc_start: 0.7970 (t80) cc_final: 0.7372 (t80) REVERT: 1 112 MET cc_start: 0.8628 (ppp) cc_final: 0.8377 (tmt) REVERT: 1 280 THR cc_start: 0.8491 (p) cc_final: 0.8272 (p) REVERT: 1 284 GLN cc_start: 0.8334 (OUTLIER) cc_final: 0.7533 (mp10) REVERT: 2 80 MET cc_start: 0.8974 (ptt) cc_final: 0.8533 (ptt) outliers start: 791 outliers final: 414 residues processed: 3329 average time/residue: 1.7573 time to fit residues: 9079.5933 Evaluate side-chains 3247 residues out of total 17520 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 512 poor density : 2735 time to evaluate : 11.657 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 50 THR Chi-restraints excluded: chain A residue 61 ARG Chi-restraints excluded: chain A residue 80 MET Chi-restraints excluded: chain A residue 112 MET Chi-restraints excluded: chain A residue 147 THR Chi-restraints excluded: chain A residue 148 THR Chi-restraints excluded: chain A residue 239 VAL Chi-restraints excluded: chain A residue 258 ILE Chi-restraints excluded: chain A residue 259 ASN Chi-restraints excluded: chain A residue 260 VAL Chi-restraints excluded: chain A residue 284 GLN Chi-restraints excluded: chain B residue 57 MET Chi-restraints excluded: chain B residue 61 ARG Chi-restraints excluded: chain B residue 129 SER Chi-restraints excluded: chain B residue 147 THR Chi-restraints excluded: chain B residue 191 SER Chi-restraints excluded: chain B residue 232 SER Chi-restraints excluded: chain B residue 239 VAL Chi-restraints excluded: chain B residue 260 VAL Chi-restraints excluded: chain B residue 281 ASN Chi-restraints excluded: chain B residue 350 CYS Chi-restraints excluded: chain C residue 148 THR Chi-restraints excluded: chain C residue 232 SER Chi-restraints excluded: chain C residue 239 VAL Chi-restraints excluded: chain C residue 243 ASN Chi-restraints excluded: chain C residue 260 VAL Chi-restraints excluded: chain C residue 284 GLN Chi-restraints excluded: chain D residue 48 GLN Chi-restraints excluded: chain D residue 57 MET Chi-restraints excluded: chain D residue 80 MET Chi-restraints excluded: chain D residue 148 THR Chi-restraints excluded: chain D residue 239 VAL Chi-restraints excluded: chain D residue 260 VAL Chi-restraints excluded: chain D residue 284 GLN Chi-restraints excluded: chain E residue 124 VAL Chi-restraints excluded: chain E residue 148 THR Chi-restraints excluded: chain E residue 182 SER Chi-restraints excluded: chain E residue 186 LEU Chi-restraints excluded: chain E residue 207 LYS Chi-restraints excluded: chain E residue 239 VAL Chi-restraints excluded: chain E residue 260 VAL Chi-restraints excluded: chain E residue 281 ASN Chi-restraints excluded: chain F residue 50 THR Chi-restraints excluded: chain F residue 61 ARG Chi-restraints excluded: chain F residue 80 MET Chi-restraints excluded: chain F residue 112 MET Chi-restraints excluded: chain F residue 135 SER Chi-restraints excluded: chain F residue 147 THR Chi-restraints excluded: chain F residue 148 THR Chi-restraints excluded: chain F residue 191 SER Chi-restraints excluded: chain F residue 239 VAL Chi-restraints excluded: chain F residue 258 ILE Chi-restraints excluded: chain F residue 259 ASN Chi-restraints excluded: chain F residue 260 VAL Chi-restraints excluded: chain F residue 284 GLN Chi-restraints excluded: chain G residue 124 VAL Chi-restraints excluded: chain G residue 129 SER Chi-restraints excluded: chain G residue 148 THR Chi-restraints excluded: chain G residue 182 SER Chi-restraints excluded: chain G residue 186 LEU Chi-restraints excluded: chain G residue 207 LYS Chi-restraints excluded: chain G residue 239 VAL Chi-restraints excluded: chain G residue 260 VAL Chi-restraints excluded: chain G residue 281 ASN Chi-restraints excluded: chain H residue 57 MET Chi-restraints excluded: chain H residue 80 MET Chi-restraints excluded: chain H residue 148 THR Chi-restraints excluded: chain H residue 239 VAL Chi-restraints excluded: chain H residue 259 ASN Chi-restraints excluded: chain H residue 260 VAL Chi-restraints excluded: chain H residue 284 GLN Chi-restraints excluded: chain I residue 148 THR Chi-restraints excluded: chain I residue 207 LYS Chi-restraints excluded: chain I residue 232 SER Chi-restraints excluded: chain I residue 239 VAL Chi-restraints excluded: chain I residue 260 VAL Chi-restraints excluded: chain I residue 284 GLN Chi-restraints excluded: chain J residue 57 MET Chi-restraints excluded: chain J residue 61 ARG Chi-restraints excluded: chain J residue 129 SER Chi-restraints excluded: chain J residue 147 THR Chi-restraints excluded: chain J residue 191 SER Chi-restraints excluded: chain J residue 232 SER Chi-restraints excluded: chain J residue 239 VAL Chi-restraints excluded: chain J residue 260 VAL Chi-restraints excluded: chain J residue 281 ASN Chi-restraints excluded: chain J residue 350 CYS Chi-restraints excluded: chain K residue 148 THR Chi-restraints excluded: chain K residue 232 SER Chi-restraints excluded: chain K residue 239 VAL Chi-restraints excluded: chain K residue 243 ASN Chi-restraints excluded: chain K residue 260 VAL Chi-restraints excluded: chain K residue 284 GLN Chi-restraints excluded: chain L residue 57 MET Chi-restraints excluded: chain L residue 61 ARG Chi-restraints excluded: chain L residue 129 SER Chi-restraints excluded: chain L residue 147 THR Chi-restraints excluded: chain L residue 191 SER Chi-restraints excluded: chain L residue 232 SER Chi-restraints excluded: chain L residue 239 VAL Chi-restraints excluded: chain L residue 260 VAL Chi-restraints excluded: chain L residue 281 ASN Chi-restraints excluded: chain L residue 350 CYS Chi-restraints excluded: chain M residue 124 VAL Chi-restraints excluded: chain M residue 129 SER Chi-restraints excluded: chain M residue 148 THR Chi-restraints excluded: chain M residue 182 SER Chi-restraints excluded: chain M residue 186 LEU Chi-restraints excluded: chain M residue 207 LYS Chi-restraints excluded: chain M residue 239 VAL Chi-restraints excluded: chain M residue 260 VAL Chi-restraints excluded: chain M residue 281 ASN Chi-restraints excluded: chain N residue 57 MET Chi-restraints excluded: chain N residue 80 MET Chi-restraints excluded: chain N residue 129 SER Chi-restraints excluded: chain N residue 148 THR Chi-restraints excluded: chain N residue 239 VAL Chi-restraints excluded: chain N residue 259 ASN Chi-restraints excluded: chain N residue 284 GLN Chi-restraints excluded: chain O residue 124 VAL Chi-restraints excluded: chain O residue 148 THR Chi-restraints excluded: chain O residue 182 SER Chi-restraints excluded: chain O residue 186 LEU Chi-restraints excluded: chain O residue 207 LYS Chi-restraints excluded: chain O residue 239 VAL Chi-restraints excluded: chain O residue 260 VAL Chi-restraints excluded: chain O residue 281 ASN Chi-restraints excluded: chain O residue 353 VAL Chi-restraints excluded: chain P residue 57 MET Chi-restraints excluded: chain P residue 80 MET Chi-restraints excluded: chain P residue 148 THR Chi-restraints excluded: chain P residue 239 VAL Chi-restraints excluded: chain P residue 259 ASN Chi-restraints excluded: chain P residue 284 GLN Chi-restraints excluded: chain Q residue 148 THR Chi-restraints excluded: chain Q residue 207 LYS Chi-restraints excluded: chain Q residue 232 SER Chi-restraints excluded: chain Q residue 239 VAL Chi-restraints excluded: chain Q residue 260 VAL Chi-restraints excluded: chain Q residue 284 GLN Chi-restraints excluded: chain R residue 57 MET Chi-restraints excluded: chain R residue 61 ARG Chi-restraints excluded: chain R residue 129 SER Chi-restraints excluded: chain R residue 147 THR Chi-restraints excluded: chain R residue 191 SER Chi-restraints excluded: chain R residue 232 SER Chi-restraints excluded: chain R residue 239 VAL Chi-restraints excluded: chain R residue 260 VAL Chi-restraints excluded: chain R residue 281 ASN Chi-restraints excluded: chain R residue 350 CYS Chi-restraints excluded: chain S residue 57 MET Chi-restraints excluded: chain S residue 61 ARG Chi-restraints excluded: chain S residue 129 SER Chi-restraints excluded: chain S residue 147 THR Chi-restraints excluded: chain S residue 191 SER Chi-restraints excluded: chain S residue 232 SER Chi-restraints excluded: chain S residue 239 VAL Chi-restraints excluded: chain S residue 260 VAL Chi-restraints excluded: chain S residue 281 ASN Chi-restraints excluded: chain S residue 350 CYS Chi-restraints excluded: chain T residue 148 THR Chi-restraints excluded: chain T residue 232 SER Chi-restraints excluded: chain T residue 239 VAL Chi-restraints excluded: chain T residue 243 ASN Chi-restraints excluded: chain T residue 260 VAL Chi-restraints excluded: chain T residue 284 GLN Chi-restraints excluded: chain U residue 57 MET Chi-restraints excluded: chain U residue 61 ARG Chi-restraints excluded: chain U residue 129 SER Chi-restraints excluded: chain U residue 147 THR Chi-restraints excluded: chain U residue 191 SER Chi-restraints excluded: chain U residue 232 SER Chi-restraints excluded: chain U residue 239 VAL Chi-restraints excluded: chain U residue 260 VAL Chi-restraints excluded: chain U residue 281 ASN Chi-restraints excluded: chain U residue 350 CYS Chi-restraints excluded: chain V residue 148 THR Chi-restraints excluded: chain V residue 232 SER Chi-restraints excluded: chain V residue 239 VAL Chi-restraints excluded: chain V residue 243 ASN Chi-restraints excluded: chain V residue 260 VAL Chi-restraints excluded: chain V residue 284 GLN Chi-restraints excluded: chain W residue 48 GLN Chi-restraints excluded: chain W residue 57 MET Chi-restraints excluded: chain W residue 80 MET Chi-restraints excluded: chain W residue 148 THR Chi-restraints excluded: chain W residue 239 VAL Chi-restraints excluded: chain W residue 260 VAL Chi-restraints excluded: chain W residue 284 GLN Chi-restraints excluded: chain X residue 124 VAL Chi-restraints excluded: chain X residue 148 THR Chi-restraints excluded: chain X residue 182 SER Chi-restraints excluded: chain X residue 186 LEU Chi-restraints excluded: chain X residue 207 LYS Chi-restraints excluded: chain X residue 239 VAL Chi-restraints excluded: chain X residue 260 VAL Chi-restraints excluded: chain X residue 281 ASN Chi-restraints excluded: chain Y residue 57 MET Chi-restraints excluded: chain Y residue 80 MET Chi-restraints excluded: chain Y residue 129 SER Chi-restraints excluded: chain Y residue 148 THR Chi-restraints excluded: chain Y residue 239 VAL Chi-restraints excluded: chain Y residue 284 GLN Chi-restraints excluded: chain Z residue 124 VAL Chi-restraints excluded: chain Z residue 148 THR Chi-restraints excluded: chain Z residue 182 SER Chi-restraints excluded: chain Z residue 186 LEU Chi-restraints excluded: chain Z residue 207 LYS Chi-restraints excluded: chain Z residue 239 VAL Chi-restraints excluded: chain Z residue 260 VAL Chi-restraints excluded: chain Z residue 281 ASN Chi-restraints excluded: chain Z residue 353 VAL Chi-restraints excluded: chain 8 residue 50 THR Chi-restraints excluded: chain 8 residue 61 ARG Chi-restraints excluded: chain 8 residue 80 MET Chi-restraints excluded: chain 8 residue 112 MET Chi-restraints excluded: chain 8 residue 135 SER Chi-restraints excluded: chain 8 residue 147 THR Chi-restraints excluded: chain 8 residue 148 THR Chi-restraints excluded: chain 8 residue 239 VAL Chi-restraints excluded: chain 8 residue 258 ILE Chi-restraints excluded: chain 8 residue 259 ASN Chi-restraints excluded: chain 8 residue 260 VAL Chi-restraints excluded: chain 8 residue 284 GLN Chi-restraints excluded: chain 7 residue 61 ARG Chi-restraints excluded: chain 7 residue 80 MET Chi-restraints excluded: chain 7 residue 112 MET Chi-restraints excluded: chain 7 residue 147 THR Chi-restraints excluded: chain 7 residue 148 THR Chi-restraints excluded: chain 7 residue 182 SER Chi-restraints excluded: chain 7 residue 239 VAL Chi-restraints excluded: chain 7 residue 258 ILE Chi-restraints excluded: chain 7 residue 259 ASN Chi-restraints excluded: chain 7 residue 260 VAL Chi-restraints excluded: chain 7 residue 284 GLN Chi-restraints excluded: chain 6 residue 61 ARG Chi-restraints excluded: chain 6 residue 80 MET Chi-restraints excluded: chain 6 residue 112 MET Chi-restraints excluded: chain 6 residue 135 SER Chi-restraints excluded: chain 6 residue 147 THR Chi-restraints excluded: chain 6 residue 148 THR Chi-restraints excluded: chain 6 residue 191 SER Chi-restraints excluded: chain 6 residue 239 VAL Chi-restraints excluded: chain 6 residue 258 ILE Chi-restraints excluded: chain 6 residue 259 ASN Chi-restraints excluded: chain 6 residue 260 VAL Chi-restraints excluded: chain 6 residue 284 GLN Chi-restraints excluded: chain 5 residue 50 THR Chi-restraints excluded: chain 5 residue 61 ARG Chi-restraints excluded: chain 5 residue 112 MET Chi-restraints excluded: chain 5 residue 135 SER Chi-restraints excluded: chain 5 residue 147 THR Chi-restraints excluded: chain 5 residue 148 THR Chi-restraints excluded: chain 5 residue 191 SER Chi-restraints excluded: chain 5 residue 239 VAL Chi-restraints excluded: chain 5 residue 258 ILE Chi-restraints excluded: chain 5 residue 259 ASN Chi-restraints excluded: chain 5 residue 260 VAL Chi-restraints excluded: chain 5 residue 284 GLN Chi-restraints excluded: chain 4 residue 50 THR Chi-restraints excluded: chain 4 residue 61 ARG Chi-restraints excluded: chain 4 residue 112 MET Chi-restraints excluded: chain 4 residue 135 SER Chi-restraints excluded: chain 4 residue 147 THR Chi-restraints excluded: chain 4 residue 148 THR Chi-restraints excluded: chain 4 residue 239 VAL Chi-restraints excluded: chain 4 residue 258 ILE Chi-restraints excluded: chain 4 residue 259 ASN Chi-restraints excluded: chain 4 residue 260 VAL Chi-restraints excluded: chain 4 residue 284 GLN Chi-restraints excluded: chain 3 residue 50 THR Chi-restraints excluded: chain 3 residue 61 ARG Chi-restraints excluded: chain 3 residue 80 MET Chi-restraints excluded: chain 3 residue 112 MET Chi-restraints excluded: chain 3 residue 135 SER Chi-restraints excluded: chain 3 residue 147 THR Chi-restraints excluded: chain 3 residue 148 THR Chi-restraints excluded: chain 3 residue 191 SER Chi-restraints excluded: chain 3 residue 239 VAL Chi-restraints excluded: chain 3 residue 258 ILE Chi-restraints excluded: chain 3 residue 259 ASN Chi-restraints excluded: chain 3 residue 260 VAL Chi-restraints excluded: chain 3 residue 284 GLN Chi-restraints excluded: chain a residue 148 THR Chi-restraints excluded: chain a residue 232 SER Chi-restraints excluded: chain a residue 239 VAL Chi-restraints excluded: chain a residue 243 ASN Chi-restraints excluded: chain a residue 260 VAL Chi-restraints excluded: chain a residue 284 GLN Chi-restraints excluded: chain b residue 124 VAL Chi-restraints excluded: chain b residue 148 THR Chi-restraints excluded: chain b residue 182 SER Chi-restraints excluded: chain b residue 186 LEU Chi-restraints excluded: chain b residue 207 LYS Chi-restraints excluded: chain b residue 239 VAL Chi-restraints excluded: chain b residue 260 VAL Chi-restraints excluded: chain b residue 281 ASN Chi-restraints excluded: chain c residue 57 MET Chi-restraints excluded: chain c residue 80 MET Chi-restraints excluded: chain c residue 148 THR Chi-restraints excluded: chain c residue 239 VAL Chi-restraints excluded: chain c residue 259 ASN Chi-restraints excluded: chain c residue 284 GLN Chi-restraints excluded: chain d residue 57 MET Chi-restraints excluded: chain d residue 80 MET Chi-restraints excluded: chain d residue 148 THR Chi-restraints excluded: chain d residue 239 VAL Chi-restraints excluded: chain d residue 259 ASN Chi-restraints excluded: chain d residue 284 GLN Chi-restraints excluded: chain e residue 48 GLN Chi-restraints excluded: chain e residue 57 MET Chi-restraints excluded: chain e residue 80 MET Chi-restraints excluded: chain e residue 148 THR Chi-restraints excluded: chain e residue 239 VAL Chi-restraints excluded: chain e residue 259 ASN Chi-restraints excluded: chain e residue 284 GLN Chi-restraints excluded: chain f residue 124 VAL Chi-restraints excluded: chain f residue 148 THR Chi-restraints excluded: chain f residue 182 SER Chi-restraints excluded: chain f residue 186 LEU Chi-restraints excluded: chain f residue 207 LYS Chi-restraints excluded: chain f residue 239 VAL Chi-restraints excluded: chain f residue 260 VAL Chi-restraints excluded: chain f residue 281 ASN Chi-restraints excluded: chain f residue 353 VAL Chi-restraints excluded: chain g residue 148 THR Chi-restraints excluded: chain g residue 232 SER Chi-restraints excluded: chain g residue 239 VAL Chi-restraints excluded: chain g residue 243 ASN Chi-restraints excluded: chain g residue 260 VAL Chi-restraints excluded: chain g residue 284 GLN Chi-restraints excluded: chain h residue 50 THR Chi-restraints excluded: chain h residue 61 ARG Chi-restraints excluded: chain h residue 80 MET Chi-restraints excluded: chain h residue 112 MET Chi-restraints excluded: chain h residue 135 SER Chi-restraints excluded: chain h residue 147 THR Chi-restraints excluded: chain h residue 148 THR Chi-restraints excluded: chain h residue 239 VAL Chi-restraints excluded: chain h residue 258 ILE Chi-restraints excluded: chain h residue 259 ASN Chi-restraints excluded: chain h residue 260 VAL Chi-restraints excluded: chain h residue 284 GLN Chi-restraints excluded: chain i residue 124 VAL Chi-restraints excluded: chain i residue 148 THR Chi-restraints excluded: chain i residue 182 SER Chi-restraints excluded: chain i residue 186 LEU Chi-restraints excluded: chain i residue 207 LYS Chi-restraints excluded: chain i residue 239 VAL Chi-restraints excluded: chain i residue 260 VAL Chi-restraints excluded: chain i residue 281 ASN Chi-restraints excluded: chain j residue 148 THR Chi-restraints excluded: chain j residue 232 SER Chi-restraints excluded: chain j residue 239 VAL Chi-restraints excluded: chain j residue 243 ASN Chi-restraints excluded: chain j residue 260 VAL Chi-restraints excluded: chain j residue 284 GLN Chi-restraints excluded: chain k residue 57 MET Chi-restraints excluded: chain k residue 61 ARG Chi-restraints excluded: chain k residue 129 SER Chi-restraints excluded: chain k residue 147 THR Chi-restraints excluded: chain k residue 191 SER Chi-restraints excluded: chain k residue 232 SER Chi-restraints excluded: chain k residue 239 VAL Chi-restraints excluded: chain k residue 260 VAL Chi-restraints excluded: chain k residue 281 ASN Chi-restraints excluded: chain k residue 350 CYS Chi-restraints excluded: chain l residue 57 MET Chi-restraints excluded: chain l residue 61 ARG Chi-restraints excluded: chain l residue 129 SER Chi-restraints excluded: chain l residue 147 THR Chi-restraints excluded: chain l residue 191 SER Chi-restraints excluded: chain l residue 232 SER Chi-restraints excluded: chain l residue 239 VAL Chi-restraints excluded: chain l residue 260 VAL Chi-restraints excluded: chain l residue 281 ASN Chi-restraints excluded: chain l residue 350 CYS Chi-restraints excluded: chain m residue 57 MET Chi-restraints excluded: chain m residue 61 ARG Chi-restraints excluded: chain m residue 129 SER Chi-restraints excluded: chain m residue 147 THR Chi-restraints excluded: chain m residue 191 SER Chi-restraints excluded: chain m residue 232 SER Chi-restraints excluded: chain m residue 239 VAL Chi-restraints excluded: chain m residue 260 VAL Chi-restraints excluded: chain m residue 281 ASN Chi-restraints excluded: chain m residue 350 CYS Chi-restraints excluded: chain n residue 124 VAL Chi-restraints excluded: chain n residue 148 THR Chi-restraints excluded: chain n residue 186 LEU Chi-restraints excluded: chain n residue 207 LYS Chi-restraints excluded: chain n residue 239 VAL Chi-restraints excluded: chain n residue 260 VAL Chi-restraints excluded: chain n residue 281 ASN Chi-restraints excluded: chain n residue 353 VAL Chi-restraints excluded: chain o residue 148 THR Chi-restraints excluded: chain o residue 207 LYS Chi-restraints excluded: chain o residue 232 SER Chi-restraints excluded: chain o residue 239 VAL Chi-restraints excluded: chain o residue 260 VAL Chi-restraints excluded: chain o residue 284 GLN Chi-restraints excluded: chain p residue 50 THR Chi-restraints excluded: chain p residue 61 ARG Chi-restraints excluded: chain p residue 80 MET Chi-restraints excluded: chain p residue 112 MET Chi-restraints excluded: chain p residue 147 THR Chi-restraints excluded: chain p residue 148 THR Chi-restraints excluded: chain p residue 258 ILE Chi-restraints excluded: chain p residue 259 ASN Chi-restraints excluded: chain p residue 260 VAL Chi-restraints excluded: chain p residue 284 GLN Chi-restraints excluded: chain q residue 124 VAL Chi-restraints excluded: chain q residue 148 THR Chi-restraints excluded: chain q residue 186 LEU Chi-restraints excluded: chain q residue 207 LYS Chi-restraints excluded: chain q residue 239 VAL Chi-restraints excluded: chain q residue 260 VAL Chi-restraints excluded: chain q residue 281 ASN Chi-restraints excluded: chain r residue 148 THR Chi-restraints excluded: chain r residue 207 LYS Chi-restraints excluded: chain r residue 232 SER Chi-restraints excluded: chain r residue 239 VAL Chi-restraints excluded: chain r residue 260 VAL Chi-restraints excluded: chain r residue 284 GLN Chi-restraints excluded: chain s residue 50 THR Chi-restraints excluded: chain s residue 61 ARG Chi-restraints excluded: chain s residue 112 MET Chi-restraints excluded: chain s residue 135 SER Chi-restraints excluded: chain s residue 147 THR Chi-restraints excluded: chain s residue 148 THR Chi-restraints excluded: chain s residue 239 VAL Chi-restraints excluded: chain s residue 258 ILE Chi-restraints excluded: chain s residue 259 ASN Chi-restraints excluded: chain s residue 260 VAL Chi-restraints excluded: chain s residue 284 GLN Chi-restraints excluded: chain t residue 57 MET Chi-restraints excluded: chain t residue 61 ARG Chi-restraints excluded: chain t residue 129 SER Chi-restraints excluded: chain t residue 147 THR Chi-restraints excluded: chain t residue 191 SER Chi-restraints excluded: chain t residue 232 SER Chi-restraints excluded: chain t residue 239 VAL Chi-restraints excluded: chain t residue 260 VAL Chi-restraints excluded: chain t residue 281 ASN Chi-restraints excluded: chain t residue 350 CYS Chi-restraints excluded: chain u residue 57 MET Chi-restraints excluded: chain u residue 61 ARG Chi-restraints excluded: chain u residue 129 SER Chi-restraints excluded: chain u residue 147 THR Chi-restraints excluded: chain u residue 191 SER Chi-restraints excluded: chain u residue 232 SER Chi-restraints excluded: chain u residue 239 VAL Chi-restraints excluded: chain u residue 260 VAL Chi-restraints excluded: chain u residue 281 ASN Chi-restraints excluded: chain u residue 350 CYS Chi-restraints excluded: chain v residue 57 MET Chi-restraints excluded: chain v residue 61 ARG Chi-restraints excluded: chain v residue 129 SER Chi-restraints excluded: chain v residue 147 THR Chi-restraints excluded: chain v residue 191 SER Chi-restraints excluded: chain v residue 232 SER Chi-restraints excluded: chain v residue 239 VAL Chi-restraints excluded: chain v residue 260 VAL Chi-restraints excluded: chain v residue 281 ASN Chi-restraints excluded: chain v residue 350 CYS Chi-restraints excluded: chain w residue 50 THR Chi-restraints excluded: chain w residue 61 ARG Chi-restraints excluded: chain w residue 112 MET Chi-restraints excluded: chain w residue 135 SER Chi-restraints excluded: chain w residue 147 THR Chi-restraints excluded: chain w residue 148 THR Chi-restraints excluded: chain w residue 191 SER Chi-restraints excluded: chain w residue 239 VAL Chi-restraints excluded: chain w residue 258 ILE Chi-restraints excluded: chain w residue 259 ASN Chi-restraints excluded: chain w residue 260 VAL Chi-restraints excluded: chain w residue 284 GLN Chi-restraints excluded: chain x residue 148 THR Chi-restraints excluded: chain x residue 232 SER Chi-restraints excluded: chain x residue 239 VAL Chi-restraints excluded: chain x residue 243 ASN Chi-restraints excluded: chain x residue 260 VAL Chi-restraints excluded: chain x residue 284 GLN Chi-restraints excluded: chain y residue 57 MET Chi-restraints excluded: chain y residue 80 MET Chi-restraints excluded: chain y residue 148 THR Chi-restraints excluded: chain y residue 239 VAL Chi-restraints excluded: chain y residue 259 ASN Chi-restraints excluded: chain y residue 284 GLN Chi-restraints excluded: chain z residue 48 GLN Chi-restraints excluded: chain z residue 57 MET Chi-restraints excluded: chain z residue 80 MET Chi-restraints excluded: chain z residue 148 THR Chi-restraints excluded: chain z residue 239 VAL Chi-restraints excluded: chain z residue 259 ASN Chi-restraints excluded: chain z residue 284 GLN Chi-restraints excluded: chain 1 residue 57 MET Chi-restraints excluded: chain 1 residue 80 MET Chi-restraints excluded: chain 1 residue 129 SER Chi-restraints excluded: chain 1 residue 148 THR Chi-restraints excluded: chain 1 residue 239 VAL Chi-restraints excluded: chain 1 residue 259 ASN Chi-restraints excluded: chain 1 residue 260 VAL Chi-restraints excluded: chain 1 residue 284 GLN Chi-restraints excluded: chain 2 residue 124 VAL Chi-restraints excluded: chain 2 residue 148 THR Chi-restraints excluded: chain 2 residue 182 SER Chi-restraints excluded: chain 2 residue 186 LEU Chi-restraints excluded: chain 2 residue 239 VAL Chi-restraints excluded: chain 2 residue 260 VAL Chi-restraints excluded: chain 2 residue 281 ASN Chi-restraints excluded: chain 2 residue 353 VAL Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1980 random chunks: chunk 1593 optimal weight: 4.9990 chunk 1086 optimal weight: 5.9990 chunk 27 optimal weight: 7.9990 chunk 1425 optimal weight: 9.9990 chunk 789 optimal weight: 6.9990 chunk 1633 optimal weight: 8.9990 chunk 1322 optimal weight: 8.9990 chunk 2 optimal weight: 0.9980 chunk 977 optimal weight: 6.9990 chunk 1717 optimal weight: 6.9990 chunk 482 optimal weight: 0.9990 overall best weight: 3.9988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 159 HIS ** A 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 236 ASN ** A 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 259 ASN A 271 HIS A 319 ASN ** A 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 68 ASN B 236 ASN ** B 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 368 HIS ** C 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 236 ASN C 271 HIS C 284 GLN C 342 ASN D 68 ASN ** D 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 236 ASN ** D 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 259 ASN D 271 HIS ** D 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 236 ASN E 259 ASN F 159 HIS ** F 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 259 ASN F 271 HIS F 319 ASN G 236 ASN G 259 ASN H 68 ASN ** H 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 236 ASN ** H 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 259 ASN ** H 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 236 ASN ** I 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 271 HIS I 284 GLN I 319 ASN ** I 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 342 ASN J 68 ASN J 236 ASN J 259 ASN J 312 ASN ** J 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 368 HIS ** K 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 236 ASN K 271 HIS K 284 GLN K 342 ASN L 68 ASN L 236 ASN ** L 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 368 HIS ** M 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 236 ASN M 259 ASN N 68 ASN ** N 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 236 ASN ** N 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 259 ASN N 271 HIS O 236 ASN ** O 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 259 ASN P 68 ASN ** P 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 236 ASN ** P 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 259 ASN ** P 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 236 ASN ** Q 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 271 HIS Q 284 GLN Q 319 ASN ** Q 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 68 ASN R 236 ASN ** R 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 368 HIS S 68 ASN S 259 ASN ** S 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 368 HIS ** T 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** T 236 ASN T 271 HIS T 284 GLN U 68 ASN U 236 ASN ** U 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 368 HIS V 236 ASN V 271 HIS V 284 GLN W 68 ASN ** W 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 236 ASN ** W 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 259 ASN X 236 ASN ** X 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 259 ASN X 342 ASN Y 68 ASN ** Y 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 259 ASN ** Y 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 236 ASN Z 259 ASN Z 342 ASN 8 159 HIS ** 8 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 236 ASN ** 8 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 259 ASN 8 271 HIS 8 319 ASN 7 159 HIS 7 164 GLN ** 7 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 236 ASN ** 7 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 259 ASN 7 271 HIS 7 319 ASN ** 7 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 159 HIS ** 6 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 236 ASN ** 6 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 259 ASN 6 271 HIS 6 319 ASN ** 6 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 159 HIS 5 164 GLN ** 5 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 236 ASN ** 5 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 259 ASN 5 271 HIS 5 319 ASN ** 5 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 159 HIS 4 164 GLN ** 4 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 236 ASN ** 4 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 259 ASN 4 271 HIS 4 319 ASN ** 4 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 159 HIS ** 3 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 236 ASN ** 3 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 259 ASN 3 271 HIS 3 319 ASN 3 342 ASN ** a 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 236 ASN ** a 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 271 HIS a 284 GLN a 319 ASN b 236 ASN b 259 ASN b 342 ASN c 68 ASN ** c 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 236 ASN ** c 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 259 ASN d 68 ASN ** d 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 236 ASN ** d 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 259 ASN ** d 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 68 ASN ** e 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 236 ASN ** e 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 259 ASN ** e 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 236 ASN f 259 ASN f 342 ASN ** g 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 236 ASN g 271 HIS g 284 GLN h 159 HIS h 164 GLN ** h 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 236 ASN ** h 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 259 ASN h 271 HIS h 319 ASN ** h 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 236 ASN i 259 ASN j 236 ASN j 271 HIS j 284 GLN j 319 ASN j 342 ASN k 68 ASN k 236 ASN ** k 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 368 HIS l 68 ASN l 236 ASN ** l 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 259 ASN l 312 ASN ** l 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 368 HIS m 68 ASN m 236 ASN ** m 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 368 HIS n 236 ASN n 259 ASN ** o 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 236 ASN ** o 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 271 HIS o 284 GLN ** o 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 159 HIS p 164 GLN ** p 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 236 ASN p 259 ASN p 271 HIS p 319 ASN ** p 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 236 ASN q 259 ASN ** r 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 236 ASN ** r 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 271 HIS r 284 GLN ** r 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 342 ASN s 159 HIS ** s 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 236 ASN ** s 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 259 ASN s 271 HIS s 319 ASN t 68 ASN t 236 ASN ** t 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 368 HIS u 68 ASN u 236 ASN u 259 ASN ** u 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 368 HIS v 68 ASN ** v 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 368 HIS w 159 HIS ** w 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 236 ASN ** w 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 259 ASN w 271 HIS w 319 ASN ** w 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 236 ASN x 271 HIS x 284 GLN x 319 ASN y 68 ASN ** y 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 236 ASN ** y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 259 ASN z 68 ASN ** z 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 236 ASN ** z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 259 ASN z 271 HIS ** z 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 68 ASN ** 1 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 236 ASN ** 1 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 259 ASN 1 271 HIS ** 1 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 236 ASN 2 259 ASN Total number of N/Q/H flips: 218 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8583 moved from start: 0.3065 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.008 0.068 161760 Z= 0.543 Angle : 0.709 5.603 220140 Z= 0.382 Chirality : 0.056 0.260 24060 Planarity : 0.005 0.036 28500 Dihedral : 6.092 21.359 21660 Min Nonbonded Distance : 2.080 Molprobity Statistics. All-atom Clashscore : 16.96 Ramachandran Plot: Outliers : 0.00 % Allowed : 6.11 % Favored : 93.89 % Rotamer: Outliers : 6.49 % Allowed : 16.04 % Favored : 77.47 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.34 (0.06), residues: 19920 helix: -3.13 (0.12), residues: 1200 sheet: -0.53 (0.06), residues: 5820 loop : -0.82 (0.05), residues: 12900 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.023 0.002 TRP 4 211 HIS 0.010 0.002 HIS X 159 PHE 0.030 0.003 PHE I 366 TYR 0.020 0.002 TYR s 210 ARG 0.006 0.001 ARG y 302 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 39840 Ramachandran restraints generated. 19920 Oldfield, 0 Emsley, 19920 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 39840 Ramachandran restraints generated. 19920 Oldfield, 0 Emsley, 19920 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3693 residues out of total 17520 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1137 poor density : 2556 time to evaluate : 11.840 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: A 284 GLN cc_start: 0.8516 (OUTLIER) cc_final: 0.8092 (mp10) REVERT: B 236 ASN cc_start: 0.8647 (OUTLIER) cc_final: 0.8403 (p0) REVERT: C 88 MET cc_start: 0.9095 (mmm) cc_final: 0.8895 (mmm) REVERT: C 236 ASN cc_start: 0.8637 (OUTLIER) cc_final: 0.8215 (p0) REVERT: D 61 ARG cc_start: 0.8165 (OUTLIER) cc_final: 0.7874 (mtt90) REVERT: D 80 MET cc_start: 0.9089 (OUTLIER) cc_final: 0.8717 (ptt) REVERT: D 112 MET cc_start: 0.8599 (ppp) cc_final: 0.8195 (tmt) REVERT: D 233 ASP cc_start: 0.7999 (t70) cc_final: 0.7491 (t70) REVERT: D 284 GLN cc_start: 0.8583 (OUTLIER) cc_final: 0.7785 (mp10) REVERT: F 284 GLN cc_start: 0.8503 (OUTLIER) cc_final: 0.8077 (mp10) REVERT: G 151 PHE cc_start: 0.9091 (m-80) cc_final: 0.8885 (m-80) REVERT: H 61 ARG cc_start: 0.8164 (OUTLIER) cc_final: 0.7875 (mtt90) REVERT: H 112 MET cc_start: 0.8593 (ppp) cc_final: 0.8196 (tmt) REVERT: H 233 ASP cc_start: 0.8003 (t70) cc_final: 0.7487 (t70) REVERT: H 284 GLN cc_start: 0.8578 (OUTLIER) cc_final: 0.7764 (mp10) REVERT: I 80 MET cc_start: 0.9248 (ptt) cc_final: 0.8753 (ptt) REVERT: I 88 MET cc_start: 0.9101 (mmm) cc_final: 0.8901 (mmm) REVERT: I 207 LYS cc_start: 0.8767 (OUTLIER) cc_final: 0.8367 (mtpp) REVERT: I 236 ASN cc_start: 0.8638 (OUTLIER) cc_final: 0.8220 (p0) REVERT: J 236 ASN cc_start: 0.8652 (OUTLIER) cc_final: 0.8416 (p0) REVERT: K 88 MET cc_start: 0.9096 (mmm) cc_final: 0.8893 (mmm) REVERT: K 236 ASN cc_start: 0.8636 (OUTLIER) cc_final: 0.8213 (p0) REVERT: L 236 ASN cc_start: 0.8653 (OUTLIER) cc_final: 0.8416 (p0) REVERT: M 259 ASN cc_start: 0.8730 (OUTLIER) cc_final: 0.8489 (m-40) REVERT: N 61 ARG cc_start: 0.8164 (OUTLIER) cc_final: 0.7871 (mtt90) REVERT: N 112 MET cc_start: 0.8603 (ppp) cc_final: 0.8194 (tmt) REVERT: N 233 ASP cc_start: 0.8005 (t70) cc_final: 0.7495 (t70) REVERT: N 284 GLN cc_start: 0.8595 (OUTLIER) cc_final: 0.7860 (mp10) REVERT: P 61 ARG cc_start: 0.8162 (OUTLIER) cc_final: 0.7873 (mtt90) REVERT: P 112 MET cc_start: 0.8597 (ppp) cc_final: 0.8194 (tmt) REVERT: P 233 ASP cc_start: 0.8001 (t70) cc_final: 0.7496 (t70) REVERT: P 284 GLN cc_start: 0.8579 (OUTLIER) cc_final: 0.7768 (mp10) REVERT: Q 80 MET cc_start: 0.9229 (ptt) cc_final: 0.8983 (ptt) REVERT: Q 88 MET cc_start: 0.9101 (mmm) cc_final: 0.8896 (mmm) REVERT: Q 207 LYS cc_start: 0.8767 (OUTLIER) cc_final: 0.8370 (mtpp) REVERT: Q 236 ASN cc_start: 0.8635 (OUTLIER) cc_final: 0.8219 (p0) REVERT: R 236 ASN cc_start: 0.8647 (OUTLIER) cc_final: 0.8414 (p0) REVERT: T 88 MET cc_start: 0.9099 (mmm) cc_final: 0.8896 (mmm) REVERT: T 236 ASN cc_start: 0.8639 (OUTLIER) cc_final: 0.8213 (p0) REVERT: U 236 ASN cc_start: 0.8654 (OUTLIER) cc_final: 0.8412 (p0) REVERT: V 236 ASN cc_start: 0.8637 (OUTLIER) cc_final: 0.8215 (p0) REVERT: W 61 ARG cc_start: 0.8160 (OUTLIER) cc_final: 0.7875 (mtt90) REVERT: W 112 MET cc_start: 0.8599 (ppp) cc_final: 0.8188 (tmt) REVERT: W 233 ASP cc_start: 0.7998 (t70) cc_final: 0.7492 (t70) REVERT: W 284 GLN cc_start: 0.8577 (OUTLIER) cc_final: 0.7768 (mp10) REVERT: X 151 PHE cc_start: 0.9090 (m-80) cc_final: 0.8882 (m-80) REVERT: Y 61 ARG cc_start: 0.8169 (OUTLIER) cc_final: 0.7874 (mtt90) REVERT: Y 112 MET cc_start: 0.8597 (ppp) cc_final: 0.8199 (tmt) REVERT: Y 233 ASP cc_start: 0.8016 (t70) cc_final: 0.7506 (t70) REVERT: Y 284 GLN cc_start: 0.8594 (OUTLIER) cc_final: 0.7858 (mp10) REVERT: 8 61 ARG cc_start: 0.8126 (OUTLIER) cc_final: 0.7042 (mtm180) REVERT: 8 284 GLN cc_start: 0.8520 (OUTLIER) cc_final: 0.8100 (mp10) REVERT: 7 61 ARG cc_start: 0.8113 (OUTLIER) cc_final: 0.7026 (mtm180) REVERT: 7 284 GLN cc_start: 0.8520 (OUTLIER) cc_final: 0.8094 (mp10) REVERT: 6 284 GLN cc_start: 0.8512 (OUTLIER) cc_final: 0.8092 (mp10) REVERT: 5 61 ARG cc_start: 0.8120 (OUTLIER) cc_final: 0.7026 (mtm180) REVERT: 5 284 GLN cc_start: 0.8511 (OUTLIER) cc_final: 0.8071 (mp10) REVERT: 4 284 GLN cc_start: 0.8524 (OUTLIER) cc_final: 0.8104 (mp10) REVERT: 3 284 GLN cc_start: 0.8514 (OUTLIER) cc_final: 0.8095 (mp10) REVERT: a 88 MET cc_start: 0.9087 (mmm) cc_final: 0.8887 (mmm) REVERT: a 236 ASN cc_start: 0.8634 (OUTLIER) cc_final: 0.8212 (p0) REVERT: b 259 ASN cc_start: 0.8711 (OUTLIER) cc_final: 0.8498 (m-40) REVERT: c 61 ARG cc_start: 0.8171 (OUTLIER) cc_final: 0.7883 (mtt90) REVERT: c 112 MET cc_start: 0.8595 (ppp) cc_final: 0.8198 (tmt) REVERT: c 233 ASP cc_start: 0.8008 (t70) cc_final: 0.7492 (t70) REVERT: c 284 GLN cc_start: 0.8575 (OUTLIER) cc_final: 0.7782 (mp10) REVERT: d 61 ARG cc_start: 0.8161 (OUTLIER) cc_final: 0.7865 (mtt90) REVERT: d 112 MET cc_start: 0.8595 (ppp) cc_final: 0.8189 (tmt) REVERT: d 233 ASP cc_start: 0.8005 (t70) cc_final: 0.7492 (t70) REVERT: d 284 GLN cc_start: 0.8594 (OUTLIER) cc_final: 0.7855 (mp10) REVERT: e 61 ARG cc_start: 0.8163 (OUTLIER) cc_final: 0.7878 (mtt90) REVERT: e 112 MET cc_start: 0.8592 (ppp) cc_final: 0.8188 (tmt) REVERT: e 233 ASP cc_start: 0.8005 (t70) cc_final: 0.7498 (t70) REVERT: e 284 GLN cc_start: 0.8582 (OUTLIER) cc_final: 0.7778 (mp10) REVERT: g 88 MET cc_start: 0.9099 (mmm) cc_final: 0.8896 (mmm) REVERT: g 236 ASN cc_start: 0.8631 (OUTLIER) cc_final: 0.8211 (p0) REVERT: h 61 ARG cc_start: 0.8128 (OUTLIER) cc_final: 0.7034 (mtm180) REVERT: h 284 GLN cc_start: 0.8513 (OUTLIER) cc_final: 0.8078 (mp10) REVERT: j 236 ASN cc_start: 0.8635 (OUTLIER) cc_final: 0.8209 (p0) REVERT: k 236 ASN cc_start: 0.8647 (OUTLIER) cc_final: 0.8419 (p0) REVERT: l 236 ASN cc_start: 0.8658 (OUTLIER) cc_final: 0.8418 (p0) REVERT: m 236 ASN cc_start: 0.8647 (OUTLIER) cc_final: 0.8413 (p0) REVERT: o 80 MET cc_start: 0.9249 (ptt) cc_final: 0.8756 (ptt) REVERT: o 207 LYS cc_start: 0.8767 (OUTLIER) cc_final: 0.8367 (mtpp) REVERT: o 236 ASN cc_start: 0.8632 (OUTLIER) cc_final: 0.8219 (p0) REVERT: p 61 ARG cc_start: 0.8123 (OUTLIER) cc_final: 0.7020 (mtm180) REVERT: p 284 GLN cc_start: 0.8506 (OUTLIER) cc_final: 0.8072 (mp10) REVERT: r 80 MET cc_start: 0.9246 (ptt) cc_final: 0.8761 (ptt) REVERT: r 183 MET cc_start: 0.9216 (OUTLIER) cc_final: 0.9014 (ttp) REVERT: r 207 LYS cc_start: 0.8761 (OUTLIER) cc_final: 0.8360 (mtpp) REVERT: r 236 ASN cc_start: 0.8610 (OUTLIER) cc_final: 0.8400 (p0) REVERT: s 284 GLN cc_start: 0.8506 (OUTLIER) cc_final: 0.8077 (mp10) REVERT: t 236 ASN cc_start: 0.8646 (OUTLIER) cc_final: 0.8410 (p0) REVERT: u 236 ASN cc_start: 0.8648 (OUTLIER) cc_final: 0.8416 (p0) REVERT: w 61 ARG cc_start: 0.8126 (OUTLIER) cc_final: 0.7043 (mtm180) REVERT: w 284 GLN cc_start: 0.8518 (OUTLIER) cc_final: 0.8100 (mp10) REVERT: x 88 MET cc_start: 0.9095 (mmm) cc_final: 0.8895 (mmm) REVERT: x 236 ASN cc_start: 0.8633 (OUTLIER) cc_final: 0.8207 (p0) REVERT: y 61 ARG cc_start: 0.8161 (OUTLIER) cc_final: 0.7874 (mtt90) REVERT: y 110 TYR cc_start: 0.8428 (t80) cc_final: 0.8226 (t80) REVERT: y 112 MET cc_start: 0.8596 (ppp) cc_final: 0.8192 (tmt) REVERT: y 233 ASP cc_start: 0.8005 (t70) cc_final: 0.7495 (t70) REVERT: y 284 GLN cc_start: 0.8594 (OUTLIER) cc_final: 0.7856 (mp10) REVERT: z 61 ARG cc_start: 0.8167 (OUTLIER) cc_final: 0.7882 (mtt90) REVERT: z 112 MET cc_start: 0.8593 (ppp) cc_final: 0.8199 (tmt) REVERT: z 233 ASP cc_start: 0.8000 (t70) cc_final: 0.7492 (t70) REVERT: z 284 GLN cc_start: 0.8582 (OUTLIER) cc_final: 0.7782 (mp10) REVERT: 1 61 ARG cc_start: 0.8167 (OUTLIER) cc_final: 0.7879 (mtt90) REVERT: 1 112 MET cc_start: 0.8596 (ppp) cc_final: 0.8197 (tmt) REVERT: 1 233 ASP cc_start: 0.8005 (t70) cc_final: 0.7494 (t70) REVERT: 1 284 GLN cc_start: 0.8573 (OUTLIER) cc_final: 0.7779 (mp10) outliers start: 1137 outliers final: 689 residues processed: 3279 average time/residue: 1.6784 time to fit residues: 8307.0494 Evaluate side-chains 3106 residues out of total 17520 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 761 poor density : 2345 time to evaluate : 11.459 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 50 THR Chi-restraints excluded: chain A residue 61 ARG Chi-restraints excluded: chain A residue 80 MET Chi-restraints excluded: chain A residue 112 MET Chi-restraints excluded: chain A residue 129 SER Chi-restraints excluded: chain A residue 147 THR Chi-restraints excluded: chain A residue 176 THR Chi-restraints excluded: chain A residue 191 SER Chi-restraints excluded: chain A residue 239 VAL Chi-restraints excluded: chain A residue 249 VAL Chi-restraints excluded: chain A residue 258 ILE Chi-restraints excluded: chain A residue 259 ASN Chi-restraints excluded: chain A residue 260 VAL Chi-restraints excluded: chain A residue 284 GLN Chi-restraints excluded: chain A residue 292 THR Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 340 LYS Chi-restraints excluded: chain A residue 350 CYS Chi-restraints excluded: chain B residue 57 MET Chi-restraints excluded: chain B residue 61 ARG Chi-restraints excluded: chain B residue 105 VAL Chi-restraints excluded: chain B residue 124 VAL Chi-restraints excluded: chain B residue 129 SER Chi-restraints excluded: chain B residue 147 THR Chi-restraints excluded: chain B residue 176 THR Chi-restraints excluded: chain B residue 191 SER Chi-restraints excluded: chain B residue 236 ASN Chi-restraints excluded: chain B residue 239 VAL Chi-restraints excluded: chain B residue 259 ASN Chi-restraints excluded: chain B residue 260 VAL Chi-restraints excluded: chain B residue 284 GLN Chi-restraints excluded: chain B residue 314 VAL Chi-restraints excluded: chain B residue 350 CYS Chi-restraints excluded: chain C residue 176 THR Chi-restraints excluded: chain C residue 236 ASN Chi-restraints excluded: chain C residue 239 VAL Chi-restraints excluded: chain C residue 260 VAL Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 314 VAL Chi-restraints excluded: chain C residue 317 ASN Chi-restraints excluded: chain C residue 350 CYS Chi-restraints excluded: chain D residue 57 MET Chi-restraints excluded: chain D residue 61 ARG Chi-restraints excluded: chain D residue 80 MET Chi-restraints excluded: chain D residue 101 LEU Chi-restraints excluded: chain D residue 129 SER Chi-restraints excluded: chain D residue 135 SER Chi-restraints excluded: chain D residue 167 LEU Chi-restraints excluded: chain D residue 191 SER Chi-restraints excluded: chain D residue 239 VAL Chi-restraints excluded: chain D residue 260 VAL Chi-restraints excluded: chain D residue 284 GLN Chi-restraints excluded: chain D residue 350 CYS Chi-restraints excluded: chain E residue 112 MET Chi-restraints excluded: chain E residue 124 VAL Chi-restraints excluded: chain E residue 182 SER Chi-restraints excluded: chain E residue 186 LEU Chi-restraints excluded: chain E residue 207 LYS Chi-restraints excluded: chain E residue 239 VAL Chi-restraints excluded: chain E residue 245 SER Chi-restraints excluded: chain E residue 314 VAL Chi-restraints excluded: chain E residue 353 VAL Chi-restraints excluded: chain F residue 50 THR Chi-restraints excluded: chain F residue 61 ARG Chi-restraints excluded: chain F residue 80 MET Chi-restraints excluded: chain F residue 112 MET Chi-restraints excluded: chain F residue 129 SER Chi-restraints excluded: chain F residue 135 SER Chi-restraints excluded: chain F residue 147 THR Chi-restraints excluded: chain F residue 176 THR Chi-restraints excluded: chain F residue 182 SER Chi-restraints excluded: chain F residue 191 SER Chi-restraints excluded: chain F residue 239 VAL Chi-restraints excluded: chain F residue 249 VAL Chi-restraints excluded: chain F residue 258 ILE Chi-restraints excluded: chain F residue 259 ASN Chi-restraints excluded: chain F residue 260 VAL Chi-restraints excluded: chain F residue 284 GLN Chi-restraints excluded: chain F residue 292 THR Chi-restraints excluded: chain F residue 313 SER Chi-restraints excluded: chain F residue 340 LYS Chi-restraints excluded: chain F residue 350 CYS Chi-restraints excluded: chain G residue 112 MET Chi-restraints excluded: chain G residue 124 VAL Chi-restraints excluded: chain G residue 182 SER Chi-restraints excluded: chain G residue 186 LEU Chi-restraints excluded: chain G residue 191 SER Chi-restraints excluded: chain G residue 207 LYS Chi-restraints excluded: chain G residue 239 VAL Chi-restraints excluded: chain G residue 245 SER Chi-restraints excluded: chain G residue 314 VAL Chi-restraints excluded: chain G residue 353 VAL Chi-restraints excluded: chain H residue 57 MET Chi-restraints excluded: chain H residue 61 ARG Chi-restraints excluded: chain H residue 101 LEU Chi-restraints excluded: chain H residue 129 SER Chi-restraints excluded: chain H residue 135 SER Chi-restraints excluded: chain H residue 191 SER Chi-restraints excluded: chain H residue 239 VAL Chi-restraints excluded: chain H residue 260 VAL Chi-restraints excluded: chain H residue 284 GLN Chi-restraints excluded: chain H residue 350 CYS Chi-restraints excluded: chain I residue 176 THR Chi-restraints excluded: chain I residue 207 LYS Chi-restraints excluded: chain I residue 236 ASN Chi-restraints excluded: chain I residue 239 VAL Chi-restraints excluded: chain I residue 260 VAL Chi-restraints excluded: chain I residue 313 SER Chi-restraints excluded: chain I residue 314 VAL Chi-restraints excluded: chain I residue 317 ASN Chi-restraints excluded: chain I residue 350 CYS Chi-restraints excluded: chain J residue 57 MET Chi-restraints excluded: chain J residue 61 ARG Chi-restraints excluded: chain J residue 105 VAL Chi-restraints excluded: chain J residue 124 VAL Chi-restraints excluded: chain J residue 129 SER Chi-restraints excluded: chain J residue 147 THR Chi-restraints excluded: chain J residue 176 THR Chi-restraints excluded: chain J residue 191 SER Chi-restraints excluded: chain J residue 236 ASN Chi-restraints excluded: chain J residue 239 VAL Chi-restraints excluded: chain J residue 260 VAL Chi-restraints excluded: chain J residue 284 GLN Chi-restraints excluded: chain J residue 313 SER Chi-restraints excluded: chain J residue 314 VAL Chi-restraints excluded: chain J residue 350 CYS Chi-restraints excluded: chain K residue 176 THR Chi-restraints excluded: chain K residue 236 ASN Chi-restraints excluded: chain K residue 239 VAL Chi-restraints excluded: chain K residue 260 VAL Chi-restraints excluded: chain K residue 313 SER Chi-restraints excluded: chain K residue 314 VAL Chi-restraints excluded: chain K residue 317 ASN Chi-restraints excluded: chain L residue 57 MET Chi-restraints excluded: chain L residue 61 ARG Chi-restraints excluded: chain L residue 105 VAL Chi-restraints excluded: chain L residue 124 VAL Chi-restraints excluded: chain L residue 129 SER Chi-restraints excluded: chain L residue 147 THR Chi-restraints excluded: chain L residue 176 THR Chi-restraints excluded: chain L residue 191 SER Chi-restraints excluded: chain L residue 236 ASN Chi-restraints excluded: chain L residue 239 VAL Chi-restraints excluded: chain L residue 259 ASN Chi-restraints excluded: chain L residue 260 VAL Chi-restraints excluded: chain L residue 284 GLN Chi-restraints excluded: chain L residue 313 SER Chi-restraints excluded: chain L residue 314 VAL Chi-restraints excluded: chain L residue 350 CYS Chi-restraints excluded: chain M residue 112 MET Chi-restraints excluded: chain M residue 124 VAL Chi-restraints excluded: chain M residue 182 SER Chi-restraints excluded: chain M residue 186 LEU Chi-restraints excluded: chain M residue 191 SER Chi-restraints excluded: chain M residue 207 LYS Chi-restraints excluded: chain M residue 239 VAL Chi-restraints excluded: chain M residue 259 ASN Chi-restraints excluded: chain M residue 260 VAL Chi-restraints excluded: chain M residue 313 SER Chi-restraints excluded: chain M residue 314 VAL Chi-restraints excluded: chain M residue 318 LEU Chi-restraints excluded: chain M residue 353 VAL Chi-restraints excluded: chain N residue 57 MET Chi-restraints excluded: chain N residue 61 ARG Chi-restraints excluded: chain N residue 101 LEU Chi-restraints excluded: chain N residue 129 SER Chi-restraints excluded: chain N residue 135 SER Chi-restraints excluded: chain N residue 167 LEU Chi-restraints excluded: chain N residue 182 SER Chi-restraints excluded: chain N residue 191 SER Chi-restraints excluded: chain N residue 239 VAL Chi-restraints excluded: chain N residue 260 VAL Chi-restraints excluded: chain N residue 284 GLN Chi-restraints excluded: chain N residue 350 CYS Chi-restraints excluded: chain O residue 112 MET Chi-restraints excluded: chain O residue 124 VAL Chi-restraints excluded: chain O residue 182 SER Chi-restraints excluded: chain O residue 186 LEU Chi-restraints excluded: chain O residue 191 SER Chi-restraints excluded: chain O residue 207 LYS Chi-restraints excluded: chain O residue 239 VAL Chi-restraints excluded: chain O residue 313 SER Chi-restraints excluded: chain O residue 314 VAL Chi-restraints excluded: chain O residue 318 LEU Chi-restraints excluded: chain O residue 353 VAL Chi-restraints excluded: chain P residue 57 MET Chi-restraints excluded: chain P residue 61 ARG Chi-restraints excluded: chain P residue 101 LEU Chi-restraints excluded: chain P residue 129 SER Chi-restraints excluded: chain P residue 135 SER Chi-restraints excluded: chain P residue 191 SER Chi-restraints excluded: chain P residue 239 VAL Chi-restraints excluded: chain P residue 260 VAL Chi-restraints excluded: chain P residue 284 GLN Chi-restraints excluded: chain P residue 350 CYS Chi-restraints excluded: chain Q residue 176 THR Chi-restraints excluded: chain Q residue 207 LYS Chi-restraints excluded: chain Q residue 236 ASN Chi-restraints excluded: chain Q residue 239 VAL Chi-restraints excluded: chain Q residue 260 VAL Chi-restraints excluded: chain Q residue 313 SER Chi-restraints excluded: chain Q residue 314 VAL Chi-restraints excluded: chain Q residue 317 ASN Chi-restraints excluded: chain Q residue 350 CYS Chi-restraints excluded: chain R residue 57 MET Chi-restraints excluded: chain R residue 61 ARG Chi-restraints excluded: chain R residue 105 VAL Chi-restraints excluded: chain R residue 124 VAL Chi-restraints excluded: chain R residue 129 SER Chi-restraints excluded: chain R residue 147 THR Chi-restraints excluded: chain R residue 176 THR Chi-restraints excluded: chain R residue 191 SER Chi-restraints excluded: chain R residue 236 ASN Chi-restraints excluded: chain R residue 239 VAL Chi-restraints excluded: chain R residue 259 ASN Chi-restraints excluded: chain R residue 260 VAL Chi-restraints excluded: chain R residue 284 GLN Chi-restraints excluded: chain R residue 314 VAL Chi-restraints excluded: chain R residue 350 CYS Chi-restraints excluded: chain S residue 57 MET Chi-restraints excluded: chain S residue 61 ARG Chi-restraints excluded: chain S residue 105 VAL Chi-restraints excluded: chain S residue 124 VAL Chi-restraints excluded: chain S residue 129 SER Chi-restraints excluded: chain S residue 147 THR Chi-restraints excluded: chain S residue 176 THR Chi-restraints excluded: chain S residue 191 SER Chi-restraints excluded: chain S residue 239 VAL Chi-restraints excluded: chain S residue 260 VAL Chi-restraints excluded: chain S residue 284 GLN Chi-restraints excluded: chain S residue 313 SER Chi-restraints excluded: chain S residue 314 VAL Chi-restraints excluded: chain S residue 350 CYS Chi-restraints excluded: chain T residue 176 THR Chi-restraints excluded: chain T residue 236 ASN Chi-restraints excluded: chain T residue 239 VAL Chi-restraints excluded: chain T residue 260 VAL Chi-restraints excluded: chain T residue 313 SER Chi-restraints excluded: chain T residue 314 VAL Chi-restraints excluded: chain T residue 317 ASN Chi-restraints excluded: chain U residue 57 MET Chi-restraints excluded: chain U residue 61 ARG Chi-restraints excluded: chain U residue 105 VAL Chi-restraints excluded: chain U residue 124 VAL Chi-restraints excluded: chain U residue 129 SER Chi-restraints excluded: chain U residue 147 THR Chi-restraints excluded: chain U residue 176 THR Chi-restraints excluded: chain U residue 191 SER Chi-restraints excluded: chain U residue 236 ASN Chi-restraints excluded: chain U residue 239 VAL Chi-restraints excluded: chain U residue 259 ASN Chi-restraints excluded: chain U residue 260 VAL Chi-restraints excluded: chain U residue 284 GLN Chi-restraints excluded: chain U residue 313 SER Chi-restraints excluded: chain U residue 314 VAL Chi-restraints excluded: chain U residue 350 CYS Chi-restraints excluded: chain V residue 176 THR Chi-restraints excluded: chain V residue 236 ASN Chi-restraints excluded: chain V residue 239 VAL Chi-restraints excluded: chain V residue 260 VAL Chi-restraints excluded: chain V residue 313 SER Chi-restraints excluded: chain V residue 314 VAL Chi-restraints excluded: chain V residue 317 ASN Chi-restraints excluded: chain V residue 350 CYS Chi-restraints excluded: chain W residue 57 MET Chi-restraints excluded: chain W residue 61 ARG Chi-restraints excluded: chain W residue 101 LEU Chi-restraints excluded: chain W residue 129 SER Chi-restraints excluded: chain W residue 135 SER Chi-restraints excluded: chain W residue 167 LEU Chi-restraints excluded: chain W residue 191 SER Chi-restraints excluded: chain W residue 239 VAL Chi-restraints excluded: chain W residue 260 VAL Chi-restraints excluded: chain W residue 284 GLN Chi-restraints excluded: chain W residue 350 CYS Chi-restraints excluded: chain X residue 112 MET Chi-restraints excluded: chain X residue 124 VAL Chi-restraints excluded: chain X residue 182 SER Chi-restraints excluded: chain X residue 186 LEU Chi-restraints excluded: chain X residue 191 SER Chi-restraints excluded: chain X residue 207 LYS Chi-restraints excluded: chain X residue 239 VAL Chi-restraints excluded: chain X residue 313 SER Chi-restraints excluded: chain X residue 314 VAL Chi-restraints excluded: chain X residue 318 LEU Chi-restraints excluded: chain X residue 353 VAL Chi-restraints excluded: chain Y residue 57 MET Chi-restraints excluded: chain Y residue 61 ARG Chi-restraints excluded: chain Y residue 101 LEU Chi-restraints excluded: chain Y residue 129 SER Chi-restraints excluded: chain Y residue 135 SER Chi-restraints excluded: chain Y residue 167 LEU Chi-restraints excluded: chain Y residue 191 SER Chi-restraints excluded: chain Y residue 239 VAL Chi-restraints excluded: chain Y residue 260 VAL Chi-restraints excluded: chain Y residue 284 GLN Chi-restraints excluded: chain Y residue 350 CYS Chi-restraints excluded: chain Z residue 112 MET Chi-restraints excluded: chain Z residue 124 VAL Chi-restraints excluded: chain Z residue 182 SER Chi-restraints excluded: chain Z residue 186 LEU Chi-restraints excluded: chain Z residue 191 SER Chi-restraints excluded: chain Z residue 207 LYS Chi-restraints excluded: chain Z residue 239 VAL Chi-restraints excluded: chain Z residue 313 SER Chi-restraints excluded: chain Z residue 314 VAL Chi-restraints excluded: chain Z residue 318 LEU Chi-restraints excluded: chain Z residue 353 VAL Chi-restraints excluded: chain 8 residue 50 THR Chi-restraints excluded: chain 8 residue 61 ARG Chi-restraints excluded: chain 8 residue 80 MET Chi-restraints excluded: chain 8 residue 112 MET Chi-restraints excluded: chain 8 residue 129 SER Chi-restraints excluded: chain 8 residue 135 SER Chi-restraints excluded: chain 8 residue 147 THR Chi-restraints excluded: chain 8 residue 176 THR Chi-restraints excluded: chain 8 residue 182 SER Chi-restraints excluded: chain 8 residue 191 SER Chi-restraints excluded: chain 8 residue 239 VAL Chi-restraints excluded: chain 8 residue 258 ILE Chi-restraints excluded: chain 8 residue 259 ASN Chi-restraints excluded: chain 8 residue 260 VAL Chi-restraints excluded: chain 8 residue 284 GLN Chi-restraints excluded: chain 8 residue 292 THR Chi-restraints excluded: chain 8 residue 313 SER Chi-restraints excluded: chain 7 residue 50 THR Chi-restraints excluded: chain 7 residue 61 ARG Chi-restraints excluded: chain 7 residue 80 MET Chi-restraints excluded: chain 7 residue 112 MET Chi-restraints excluded: chain 7 residue 129 SER Chi-restraints excluded: chain 7 residue 147 THR Chi-restraints excluded: chain 7 residue 176 THR Chi-restraints excluded: chain 7 residue 182 SER Chi-restraints excluded: chain 7 residue 191 SER Chi-restraints excluded: chain 7 residue 239 VAL Chi-restraints excluded: chain 7 residue 249 VAL Chi-restraints excluded: chain 7 residue 258 ILE Chi-restraints excluded: chain 7 residue 259 ASN Chi-restraints excluded: chain 7 residue 260 VAL Chi-restraints excluded: chain 7 residue 284 GLN Chi-restraints excluded: chain 7 residue 292 THR Chi-restraints excluded: chain 7 residue 313 SER Chi-restraints excluded: chain 6 residue 61 ARG Chi-restraints excluded: chain 6 residue 80 MET Chi-restraints excluded: chain 6 residue 112 MET Chi-restraints excluded: chain 6 residue 129 SER Chi-restraints excluded: chain 6 residue 135 SER Chi-restraints excluded: chain 6 residue 147 THR Chi-restraints excluded: chain 6 residue 176 THR Chi-restraints excluded: chain 6 residue 191 SER Chi-restraints excluded: chain 6 residue 239 VAL Chi-restraints excluded: chain 6 residue 249 VAL Chi-restraints excluded: chain 6 residue 258 ILE Chi-restraints excluded: chain 6 residue 259 ASN Chi-restraints excluded: chain 6 residue 260 VAL Chi-restraints excluded: chain 6 residue 284 GLN Chi-restraints excluded: chain 6 residue 292 THR Chi-restraints excluded: chain 6 residue 313 SER Chi-restraints excluded: chain 6 residue 350 CYS Chi-restraints excluded: chain 5 residue 50 THR Chi-restraints excluded: chain 5 residue 61 ARG Chi-restraints excluded: chain 5 residue 80 MET Chi-restraints excluded: chain 5 residue 112 MET Chi-restraints excluded: chain 5 residue 129 SER Chi-restraints excluded: chain 5 residue 135 SER Chi-restraints excluded: chain 5 residue 147 THR Chi-restraints excluded: chain 5 residue 176 THR Chi-restraints excluded: chain 5 residue 182 SER Chi-restraints excluded: chain 5 residue 191 SER Chi-restraints excluded: chain 5 residue 239 VAL Chi-restraints excluded: chain 5 residue 249 VAL Chi-restraints excluded: chain 5 residue 258 ILE Chi-restraints excluded: chain 5 residue 259 ASN Chi-restraints excluded: chain 5 residue 260 VAL Chi-restraints excluded: chain 5 residue 284 GLN Chi-restraints excluded: chain 5 residue 292 THR Chi-restraints excluded: chain 5 residue 313 SER Chi-restraints excluded: chain 4 residue 50 THR Chi-restraints excluded: chain 4 residue 61 ARG Chi-restraints excluded: chain 4 residue 80 MET Chi-restraints excluded: chain 4 residue 112 MET Chi-restraints excluded: chain 4 residue 129 SER Chi-restraints excluded: chain 4 residue 135 SER Chi-restraints excluded: chain 4 residue 147 THR Chi-restraints excluded: chain 4 residue 176 THR Chi-restraints excluded: chain 4 residue 182 SER Chi-restraints excluded: chain 4 residue 191 SER Chi-restraints excluded: chain 4 residue 239 VAL Chi-restraints excluded: chain 4 residue 249 VAL Chi-restraints excluded: chain 4 residue 258 ILE Chi-restraints excluded: chain 4 residue 259 ASN Chi-restraints excluded: chain 4 residue 260 VAL Chi-restraints excluded: chain 4 residue 284 GLN Chi-restraints excluded: chain 4 residue 292 THR Chi-restraints excluded: chain 4 residue 313 SER Chi-restraints excluded: chain 4 residue 340 LYS Chi-restraints excluded: chain 3 residue 50 THR Chi-restraints excluded: chain 3 residue 61 ARG Chi-restraints excluded: chain 3 residue 80 MET Chi-restraints excluded: chain 3 residue 112 MET Chi-restraints excluded: chain 3 residue 129 SER Chi-restraints excluded: chain 3 residue 135 SER Chi-restraints excluded: chain 3 residue 147 THR Chi-restraints excluded: chain 3 residue 176 THR Chi-restraints excluded: chain 3 residue 182 SER Chi-restraints excluded: chain 3 residue 191 SER Chi-restraints excluded: chain 3 residue 239 VAL Chi-restraints excluded: chain 3 residue 249 VAL Chi-restraints excluded: chain 3 residue 258 ILE Chi-restraints excluded: chain 3 residue 259 ASN Chi-restraints excluded: chain 3 residue 260 VAL Chi-restraints excluded: chain 3 residue 284 GLN Chi-restraints excluded: chain 3 residue 292 THR Chi-restraints excluded: chain 3 residue 313 SER Chi-restraints excluded: chain 3 residue 350 CYS Chi-restraints excluded: chain a residue 176 THR Chi-restraints excluded: chain a residue 236 ASN Chi-restraints excluded: chain a residue 239 VAL Chi-restraints excluded: chain a residue 260 VAL Chi-restraints excluded: chain a residue 313 SER Chi-restraints excluded: chain a residue 314 VAL Chi-restraints excluded: chain a residue 317 ASN Chi-restraints excluded: chain a residue 350 CYS Chi-restraints excluded: chain b residue 112 MET Chi-restraints excluded: chain b residue 124 VAL Chi-restraints excluded: chain b residue 182 SER Chi-restraints excluded: chain b residue 186 LEU Chi-restraints excluded: chain b residue 191 SER Chi-restraints excluded: chain b residue 207 LYS Chi-restraints excluded: chain b residue 239 VAL Chi-restraints excluded: chain b residue 259 ASN Chi-restraints excluded: chain b residue 313 SER Chi-restraints excluded: chain b residue 314 VAL Chi-restraints excluded: chain b residue 318 LEU Chi-restraints excluded: chain b residue 353 VAL Chi-restraints excluded: chain c residue 57 MET Chi-restraints excluded: chain c residue 61 ARG Chi-restraints excluded: chain c residue 101 LEU Chi-restraints excluded: chain c residue 129 SER Chi-restraints excluded: chain c residue 135 SER Chi-restraints excluded: chain c residue 167 LEU Chi-restraints excluded: chain c residue 182 SER Chi-restraints excluded: chain c residue 191 SER Chi-restraints excluded: chain c residue 239 VAL Chi-restraints excluded: chain c residue 260 VAL Chi-restraints excluded: chain c residue 284 GLN Chi-restraints excluded: chain c residue 350 CYS Chi-restraints excluded: chain d residue 57 MET Chi-restraints excluded: chain d residue 61 ARG Chi-restraints excluded: chain d residue 101 LEU Chi-restraints excluded: chain d residue 129 SER Chi-restraints excluded: chain d residue 135 SER Chi-restraints excluded: chain d residue 191 SER Chi-restraints excluded: chain d residue 239 VAL Chi-restraints excluded: chain d residue 260 VAL Chi-restraints excluded: chain d residue 284 GLN Chi-restraints excluded: chain d residue 350 CYS Chi-restraints excluded: chain e residue 57 MET Chi-restraints excluded: chain e residue 61 ARG Chi-restraints excluded: chain e residue 101 LEU Chi-restraints excluded: chain e residue 129 SER Chi-restraints excluded: chain e residue 135 SER Chi-restraints excluded: chain e residue 167 LEU Chi-restraints excluded: chain e residue 182 SER Chi-restraints excluded: chain e residue 191 SER Chi-restraints excluded: chain e residue 239 VAL Chi-restraints excluded: chain e residue 260 VAL Chi-restraints excluded: chain e residue 284 GLN Chi-restraints excluded: chain e residue 350 CYS Chi-restraints excluded: chain f residue 112 MET Chi-restraints excluded: chain f residue 124 VAL Chi-restraints excluded: chain f residue 182 SER Chi-restraints excluded: chain f residue 186 LEU Chi-restraints excluded: chain f residue 191 SER Chi-restraints excluded: chain f residue 207 LYS Chi-restraints excluded: chain f residue 239 VAL Chi-restraints excluded: chain f residue 313 SER Chi-restraints excluded: chain f residue 314 VAL Chi-restraints excluded: chain f residue 318 LEU Chi-restraints excluded: chain f residue 353 VAL Chi-restraints excluded: chain g residue 176 THR Chi-restraints excluded: chain g residue 236 ASN Chi-restraints excluded: chain g residue 239 VAL Chi-restraints excluded: chain g residue 260 VAL Chi-restraints excluded: chain g residue 313 SER Chi-restraints excluded: chain g residue 314 VAL Chi-restraints excluded: chain g residue 317 ASN Chi-restraints excluded: chain h residue 50 THR Chi-restraints excluded: chain h residue 61 ARG Chi-restraints excluded: chain h residue 80 MET Chi-restraints excluded: chain h residue 112 MET Chi-restraints excluded: chain h residue 129 SER Chi-restraints excluded: chain h residue 135 SER Chi-restraints excluded: chain h residue 147 THR Chi-restraints excluded: chain h residue 176 THR Chi-restraints excluded: chain h residue 182 SER Chi-restraints excluded: chain h residue 191 SER Chi-restraints excluded: chain h residue 239 VAL Chi-restraints excluded: chain h residue 249 VAL Chi-restraints excluded: chain h residue 258 ILE Chi-restraints excluded: chain h residue 259 ASN Chi-restraints excluded: chain h residue 260 VAL Chi-restraints excluded: chain h residue 284 GLN Chi-restraints excluded: chain h residue 292 THR Chi-restraints excluded: chain h residue 313 SER Chi-restraints excluded: chain i residue 112 MET Chi-restraints excluded: chain i residue 124 VAL Chi-restraints excluded: chain i residue 182 SER Chi-restraints excluded: chain i residue 186 LEU Chi-restraints excluded: chain i residue 191 SER Chi-restraints excluded: chain i residue 207 LYS Chi-restraints excluded: chain i residue 239 VAL Chi-restraints excluded: chain i residue 313 SER Chi-restraints excluded: chain i residue 314 VAL Chi-restraints excluded: chain i residue 318 LEU Chi-restraints excluded: chain i residue 353 VAL Chi-restraints excluded: chain j residue 176 THR Chi-restraints excluded: chain j residue 236 ASN Chi-restraints excluded: chain j residue 239 VAL Chi-restraints excluded: chain j residue 260 VAL Chi-restraints excluded: chain j residue 313 SER Chi-restraints excluded: chain j residue 314 VAL Chi-restraints excluded: chain j residue 317 ASN Chi-restraints excluded: chain j residue 350 CYS Chi-restraints excluded: chain k residue 57 MET Chi-restraints excluded: chain k residue 61 ARG Chi-restraints excluded: chain k residue 105 VAL Chi-restraints excluded: chain k residue 124 VAL Chi-restraints excluded: chain k residue 129 SER Chi-restraints excluded: chain k residue 147 THR Chi-restraints excluded: chain k residue 176 THR Chi-restraints excluded: chain k residue 191 SER Chi-restraints excluded: chain k residue 236 ASN Chi-restraints excluded: chain k residue 239 VAL Chi-restraints excluded: chain k residue 259 ASN Chi-restraints excluded: chain k residue 260 VAL Chi-restraints excluded: chain k residue 284 GLN Chi-restraints excluded: chain k residue 314 VAL Chi-restraints excluded: chain k residue 350 CYS Chi-restraints excluded: chain l residue 57 MET Chi-restraints excluded: chain l residue 61 ARG Chi-restraints excluded: chain l residue 105 VAL Chi-restraints excluded: chain l residue 124 VAL Chi-restraints excluded: chain l residue 129 SER Chi-restraints excluded: chain l residue 147 THR Chi-restraints excluded: chain l residue 176 THR Chi-restraints excluded: chain l residue 191 SER Chi-restraints excluded: chain l residue 236 ASN Chi-restraints excluded: chain l residue 239 VAL Chi-restraints excluded: chain l residue 260 VAL Chi-restraints excluded: chain l residue 284 GLN Chi-restraints excluded: chain l residue 313 SER Chi-restraints excluded: chain l residue 314 VAL Chi-restraints excluded: chain l residue 350 CYS Chi-restraints excluded: chain m residue 57 MET Chi-restraints excluded: chain m residue 61 ARG Chi-restraints excluded: chain m residue 105 VAL Chi-restraints excluded: chain m residue 124 VAL Chi-restraints excluded: chain m residue 129 SER Chi-restraints excluded: chain m residue 147 THR Chi-restraints excluded: chain m residue 176 THR Chi-restraints excluded: chain m residue 191 SER Chi-restraints excluded: chain m residue 236 ASN Chi-restraints excluded: chain m residue 239 VAL Chi-restraints excluded: chain m residue 259 ASN Chi-restraints excluded: chain m residue 260 VAL Chi-restraints excluded: chain m residue 284 GLN Chi-restraints excluded: chain m residue 313 SER Chi-restraints excluded: chain m residue 314 VAL Chi-restraints excluded: chain m residue 350 CYS Chi-restraints excluded: chain n residue 112 MET Chi-restraints excluded: chain n residue 124 VAL Chi-restraints excluded: chain n residue 182 SER Chi-restraints excluded: chain n residue 186 LEU Chi-restraints excluded: chain n residue 191 SER Chi-restraints excluded: chain n residue 207 LYS Chi-restraints excluded: chain n residue 239 VAL Chi-restraints excluded: chain n residue 245 SER Chi-restraints excluded: chain n residue 314 VAL Chi-restraints excluded: chain n residue 353 VAL Chi-restraints excluded: chain o residue 176 THR Chi-restraints excluded: chain o residue 207 LYS Chi-restraints excluded: chain o residue 236 ASN Chi-restraints excluded: chain o residue 239 VAL Chi-restraints excluded: chain o residue 260 VAL Chi-restraints excluded: chain o residue 313 SER Chi-restraints excluded: chain o residue 314 VAL Chi-restraints excluded: chain o residue 317 ASN Chi-restraints excluded: chain o residue 318 LEU Chi-restraints excluded: chain o residue 350 CYS Chi-restraints excluded: chain p residue 50 THR Chi-restraints excluded: chain p residue 61 ARG Chi-restraints excluded: chain p residue 80 MET Chi-restraints excluded: chain p residue 112 MET Chi-restraints excluded: chain p residue 129 SER Chi-restraints excluded: chain p residue 147 THR Chi-restraints excluded: chain p residue 176 THR Chi-restraints excluded: chain p residue 182 SER Chi-restraints excluded: chain p residue 191 SER Chi-restraints excluded: chain p residue 239 VAL Chi-restraints excluded: chain p residue 249 VAL Chi-restraints excluded: chain p residue 258 ILE Chi-restraints excluded: chain p residue 259 ASN Chi-restraints excluded: chain p residue 260 VAL Chi-restraints excluded: chain p residue 284 GLN Chi-restraints excluded: chain p residue 292 THR Chi-restraints excluded: chain p residue 313 SER Chi-restraints excluded: chain p residue 340 LYS Chi-restraints excluded: chain p residue 350 CYS Chi-restraints excluded: chain q residue 112 MET Chi-restraints excluded: chain q residue 124 VAL Chi-restraints excluded: chain q residue 182 SER Chi-restraints excluded: chain q residue 186 LEU Chi-restraints excluded: chain q residue 191 SER Chi-restraints excluded: chain q residue 207 LYS Chi-restraints excluded: chain q residue 239 VAL Chi-restraints excluded: chain q residue 245 SER Chi-restraints excluded: chain q residue 314 VAL Chi-restraints excluded: chain q residue 353 VAL Chi-restraints excluded: chain r residue 176 THR Chi-restraints excluded: chain r residue 183 MET Chi-restraints excluded: chain r residue 207 LYS Chi-restraints excluded: chain r residue 236 ASN Chi-restraints excluded: chain r residue 239 VAL Chi-restraints excluded: chain r residue 260 VAL Chi-restraints excluded: chain r residue 313 SER Chi-restraints excluded: chain r residue 314 VAL Chi-restraints excluded: chain r residue 317 ASN Chi-restraints excluded: chain r residue 350 CYS Chi-restraints excluded: chain s residue 50 THR Chi-restraints excluded: chain s residue 61 ARG Chi-restraints excluded: chain s residue 80 MET Chi-restraints excluded: chain s residue 112 MET Chi-restraints excluded: chain s residue 129 SER Chi-restraints excluded: chain s residue 135 SER Chi-restraints excluded: chain s residue 147 THR Chi-restraints excluded: chain s residue 176 THR Chi-restraints excluded: chain s residue 191 SER Chi-restraints excluded: chain s residue 239 VAL Chi-restraints excluded: chain s residue 258 ILE Chi-restraints excluded: chain s residue 259 ASN Chi-restraints excluded: chain s residue 260 VAL Chi-restraints excluded: chain s residue 284 GLN Chi-restraints excluded: chain s residue 292 THR Chi-restraints excluded: chain s residue 313 SER Chi-restraints excluded: chain s residue 340 LYS Chi-restraints excluded: chain s residue 350 CYS Chi-restraints excluded: chain t residue 57 MET Chi-restraints excluded: chain t residue 61 ARG Chi-restraints excluded: chain t residue 105 VAL Chi-restraints excluded: chain t residue 124 VAL Chi-restraints excluded: chain t residue 129 SER Chi-restraints excluded: chain t residue 147 THR Chi-restraints excluded: chain t residue 176 THR Chi-restraints excluded: chain t residue 191 SER Chi-restraints excluded: chain t residue 236 ASN Chi-restraints excluded: chain t residue 239 VAL Chi-restraints excluded: chain t residue 259 ASN Chi-restraints excluded: chain t residue 260 VAL Chi-restraints excluded: chain t residue 284 GLN Chi-restraints excluded: chain t residue 313 SER Chi-restraints excluded: chain t residue 314 VAL Chi-restraints excluded: chain t residue 350 CYS Chi-restraints excluded: chain u residue 57 MET Chi-restraints excluded: chain u residue 61 ARG Chi-restraints excluded: chain u residue 105 VAL Chi-restraints excluded: chain u residue 124 VAL Chi-restraints excluded: chain u residue 129 SER Chi-restraints excluded: chain u residue 147 THR Chi-restraints excluded: chain u residue 176 THR Chi-restraints excluded: chain u residue 191 SER Chi-restraints excluded: chain u residue 236 ASN Chi-restraints excluded: chain u residue 239 VAL Chi-restraints excluded: chain u residue 260 VAL Chi-restraints excluded: chain u residue 284 GLN Chi-restraints excluded: chain u residue 313 SER Chi-restraints excluded: chain u residue 314 VAL Chi-restraints excluded: chain u residue 350 CYS Chi-restraints excluded: chain v residue 57 MET Chi-restraints excluded: chain v residue 61 ARG Chi-restraints excluded: chain v residue 105 VAL Chi-restraints excluded: chain v residue 124 VAL Chi-restraints excluded: chain v residue 129 SER Chi-restraints excluded: chain v residue 147 THR Chi-restraints excluded: chain v residue 176 THR Chi-restraints excluded: chain v residue 191 SER Chi-restraints excluded: chain v residue 239 VAL Chi-restraints excluded: chain v residue 259 ASN Chi-restraints excluded: chain v residue 260 VAL Chi-restraints excluded: chain v residue 284 GLN Chi-restraints excluded: chain v residue 313 SER Chi-restraints excluded: chain v residue 314 VAL Chi-restraints excluded: chain v residue 350 CYS Chi-restraints excluded: chain w residue 50 THR Chi-restraints excluded: chain w residue 61 ARG Chi-restraints excluded: chain w residue 80 MET Chi-restraints excluded: chain w residue 112 MET Chi-restraints excluded: chain w residue 129 SER Chi-restraints excluded: chain w residue 135 SER Chi-restraints excluded: chain w residue 147 THR Chi-restraints excluded: chain w residue 176 THR Chi-restraints excluded: chain w residue 182 SER Chi-restraints excluded: chain w residue 191 SER Chi-restraints excluded: chain w residue 239 VAL Chi-restraints excluded: chain w residue 249 VAL Chi-restraints excluded: chain w residue 258 ILE Chi-restraints excluded: chain w residue 259 ASN Chi-restraints excluded: chain w residue 260 VAL Chi-restraints excluded: chain w residue 284 GLN Chi-restraints excluded: chain w residue 292 THR Chi-restraints excluded: chain w residue 313 SER Chi-restraints excluded: chain w residue 350 CYS Chi-restraints excluded: chain x residue 176 THR Chi-restraints excluded: chain x residue 236 ASN Chi-restraints excluded: chain x residue 239 VAL Chi-restraints excluded: chain x residue 260 VAL Chi-restraints excluded: chain x residue 313 SER Chi-restraints excluded: chain x residue 314 VAL Chi-restraints excluded: chain x residue 317 ASN Chi-restraints excluded: chain y residue 57 MET Chi-restraints excluded: chain y residue 61 ARG Chi-restraints excluded: chain y residue 101 LEU Chi-restraints excluded: chain y residue 129 SER Chi-restraints excluded: chain y residue 135 SER Chi-restraints excluded: chain y residue 191 SER Chi-restraints excluded: chain y residue 239 VAL Chi-restraints excluded: chain y residue 260 VAL Chi-restraints excluded: chain y residue 284 GLN Chi-restraints excluded: chain y residue 350 CYS Chi-restraints excluded: chain z residue 57 MET Chi-restraints excluded: chain z residue 61 ARG Chi-restraints excluded: chain z residue 101 LEU Chi-restraints excluded: chain z residue 129 SER Chi-restraints excluded: chain z residue 135 SER Chi-restraints excluded: chain z residue 167 LEU Chi-restraints excluded: chain z residue 191 SER Chi-restraints excluded: chain z residue 239 VAL Chi-restraints excluded: chain z residue 260 VAL Chi-restraints excluded: chain z residue 284 GLN Chi-restraints excluded: chain z residue 350 CYS Chi-restraints excluded: chain 1 residue 57 MET Chi-restraints excluded: chain 1 residue 61 ARG Chi-restraints excluded: chain 1 residue 101 LEU Chi-restraints excluded: chain 1 residue 129 SER Chi-restraints excluded: chain 1 residue 135 SER Chi-restraints excluded: chain 1 residue 167 LEU Chi-restraints excluded: chain 1 residue 191 SER Chi-restraints excluded: chain 1 residue 239 VAL Chi-restraints excluded: chain 1 residue 260 VAL Chi-restraints excluded: chain 1 residue 284 GLN Chi-restraints excluded: chain 1 residue 350 CYS Chi-restraints excluded: chain 2 residue 112 MET Chi-restraints excluded: chain 2 residue 124 VAL Chi-restraints excluded: chain 2 residue 182 SER Chi-restraints excluded: chain 2 residue 186 LEU Chi-restraints excluded: chain 2 residue 191 SER Chi-restraints excluded: chain 2 residue 239 VAL Chi-restraints excluded: chain 2 residue 313 SER Chi-restraints excluded: chain 2 residue 314 VAL Chi-restraints excluded: chain 2 residue 318 LEU Chi-restraints excluded: chain 2 residue 353 VAL Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1980 random chunks: chunk 643 optimal weight: 0.9980 chunk 1723 optimal weight: 2.9990 chunk 378 optimal weight: 0.9990 chunk 1123 optimal weight: 2.9990 chunk 472 optimal weight: 10.0000 chunk 1915 optimal weight: 1.9990 chunk 1590 optimal weight: 10.0000 chunk 886 optimal weight: 8.9990 chunk 159 optimal weight: 6.9990 chunk 633 optimal weight: 9.9990 chunk 1005 optimal weight: 0.9980 overall best weight: 1.5986 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 259 ASN A 312 ASN ** A 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 345 GLN B 68 ASN B 130 ASN ** B 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 368 HIS ** C 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 284 GLN C 328 GLN ** D 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 130 ASN ** F 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 236 ASN ** F 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 259 ASN F 312 ASN F 345 GLN ** G 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 290 GLN ** H 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 284 GLN ** I 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 68 ASN J 130 ASN ** J 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 368 HIS ** K 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 284 GLN K 328 GLN L 68 ASN ** L 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 368 HIS ** M 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 290 GLN ** P 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 130 ASN ** Q 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 284 GLN ** Q 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 68 ASN R 130 ASN ** R 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 345 GLN R 368 HIS S 68 ASN S 130 ASN ** S 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 368 HIS ** T 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** T 284 GLN T 328 GLN U 68 ASN U 130 ASN ** U 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 368 HIS V 284 GLN V 328 GLN ** W 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 290 GLN ** Y 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 345 GLN 7 164 GLN ** 7 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 345 GLN ** 6 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 259 ASN 6 312 ASN ** 6 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 345 GLN ** 5 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 312 ASN ** 5 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 345 GLN ** 4 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 259 ASN ** 4 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 345 GLN ** 3 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 259 ASN 3 312 ASN ** 3 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 345 GLN ** a 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 241 GLN a 284 GLN a 328 GLN ** b 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 259 ASN c 290 GLN ** c 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 290 GLN ** d 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 259 ASN ** e 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 284 GLN g 328 GLN ** h 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 345 GLN ** i 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 284 GLN j 328 GLN k 68 ASN k 130 ASN ** k 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 345 GLN k 368 HIS l 68 ASN l 130 ASN ** l 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 368 HIS m 68 ASN m 130 ASN ** m 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 345 GLN m 368 HIS ** n 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 130 ASN ** o 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 284 GLN ** o 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 345 GLN ** q 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 284 GLN ** r 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 259 ASN s 312 ASN s 345 GLN t 68 ASN t 130 ASN ** t 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 368 HIS u 68 ASN ** u 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 368 HIS v 68 ASN v 130 ASN ** v 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 368 HIS ** w 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 312 ASN ** w 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 345 GLN ** x 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 284 GLN x 328 GLN ** y 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 259 ASN y 290 GLN ** y 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 97 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8515 moved from start: 0.3262 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.052 161760 Z= 0.281 Angle : 0.601 5.805 220140 Z= 0.326 Chirality : 0.050 0.184 24060 Planarity : 0.004 0.034 28500 Dihedral : 5.738 20.464 21660 Min Nonbonded Distance : 2.068 Molprobity Statistics. All-atom Clashscore : 15.37 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.20 % Favored : 94.80 % Rotamer: Outliers : 5.65 % Allowed : 16.32 % Favored : 78.03 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.31 (0.06), residues: 19920 helix: -2.99 (0.13), residues: 1200 sheet: -0.55 (0.06), residues: 6000 loop : -0.78 (0.05), residues: 12720 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.017 0.001 TRP R 211 HIS 0.008 0.001 HIS W 159 PHE 0.030 0.002 PHE x 366 TYR 0.013 0.002 TYR y 110 ARG 0.004 0.000 ARG M 356 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 39840 Ramachandran restraints generated. 19920 Oldfield, 0 Emsley, 19920 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 39840 Ramachandran restraints generated. 19920 Oldfield, 0 Emsley, 19920 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3728 residues out of total 17520 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 990 poor density : 2738 time to evaluate : 11.762 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: A 80 MET cc_start: 0.9227 (OUTLIER) cc_final: 0.8983 (ptt) REVERT: A 127 THR cc_start: 0.8942 (m) cc_final: 0.8646 (m) REVERT: A 284 GLN cc_start: 0.8511 (OUTLIER) cc_final: 0.8100 (mp10) REVERT: B 61 ARG cc_start: 0.7898 (OUTLIER) cc_final: 0.7627 (mtt90) REVERT: C 88 MET cc_start: 0.9135 (mmm) cc_final: 0.8886 (mmm) REVERT: C 112 MET cc_start: 0.8746 (ppp) cc_final: 0.8546 (tmt) REVERT: D 61 ARG cc_start: 0.7942 (OUTLIER) cc_final: 0.7680 (mtt90) REVERT: D 80 MET cc_start: 0.9078 (OUTLIER) cc_final: 0.8695 (ptt) REVERT: D 112 MET cc_start: 0.8557 (ppp) cc_final: 0.8139 (tmt) REVERT: D 284 GLN cc_start: 0.8560 (OUTLIER) cc_final: 0.7851 (mp10) REVERT: E 61 ARG cc_start: 0.7895 (ttm110) cc_final: 0.7639 (mtt90) REVERT: E 127 THR cc_start: 0.9032 (m) cc_final: 0.8704 (m) REVERT: F 127 THR cc_start: 0.8929 (m) cc_final: 0.8640 (m) REVERT: F 284 GLN cc_start: 0.8497 (OUTLIER) cc_final: 0.8087 (mp10) REVERT: G 61 ARG cc_start: 0.7895 (ttm110) cc_final: 0.7639 (mtt90) REVERT: G 80 MET cc_start: 0.9232 (OUTLIER) cc_final: 0.8678 (ptt) REVERT: G 127 THR cc_start: 0.9018 (m) cc_final: 0.8682 (m) REVERT: H 61 ARG cc_start: 0.7964 (OUTLIER) cc_final: 0.7704 (mtt90) REVERT: H 88 MET cc_start: 0.8924 (mmm) cc_final: 0.8417 (mmm) REVERT: H 112 MET cc_start: 0.8556 (ppp) cc_final: 0.8134 (tmt) REVERT: H 284 GLN cc_start: 0.8543 (OUTLIER) cc_final: 0.7825 (mp10) REVERT: I 88 MET cc_start: 0.9134 (mmm) cc_final: 0.8893 (mmm) REVERT: I 112 MET cc_start: 0.8745 (ppp) cc_final: 0.8544 (tmt) REVERT: I 207 LYS cc_start: 0.8688 (OUTLIER) cc_final: 0.8373 (mtpp) REVERT: J 61 ARG cc_start: 0.7890 (OUTLIER) cc_final: 0.7620 (mtt90) REVERT: K 88 MET cc_start: 0.9132 (mmm) cc_final: 0.8897 (mmm) REVERT: K 112 MET cc_start: 0.8746 (ppp) cc_final: 0.8488 (tmt) REVERT: L 61 ARG cc_start: 0.7896 (OUTLIER) cc_final: 0.7621 (mtt90) REVERT: M 61 ARG cc_start: 0.7879 (ttm110) cc_final: 0.7623 (mtt90) REVERT: M 127 THR cc_start: 0.9030 (m) cc_final: 0.8697 (m) REVERT: N 61 ARG cc_start: 0.7940 (OUTLIER) cc_final: 0.7679 (mtt90) REVERT: N 112 MET cc_start: 0.8558 (ppp) cc_final: 0.8136 (tmt) REVERT: N 284 GLN cc_start: 0.8556 (OUTLIER) cc_final: 0.7869 (mp10) REVERT: O 61 ARG cc_start: 0.7899 (ttm110) cc_final: 0.7645 (mtt90) REVERT: O 80 MET cc_start: 0.9228 (OUTLIER) cc_final: 0.8673 (ptt) REVERT: O 127 THR cc_start: 0.9029 (m) cc_final: 0.8700 (m) REVERT: P 61 ARG cc_start: 0.7967 (OUTLIER) cc_final: 0.7702 (mtt90) REVERT: P 112 MET cc_start: 0.8557 (ppp) cc_final: 0.8136 (tmt) REVERT: P 284 GLN cc_start: 0.8541 (OUTLIER) cc_final: 0.7816 (mp10) REVERT: Q 80 MET cc_start: 0.9155 (ptt) cc_final: 0.8762 (ptt) REVERT: Q 88 MET cc_start: 0.9133 (mmm) cc_final: 0.8891 (mmm) REVERT: Q 112 MET cc_start: 0.8745 (ppp) cc_final: 0.8544 (tmt) REVERT: Q 207 LYS cc_start: 0.8685 (OUTLIER) cc_final: 0.8374 (mtpp) REVERT: R 61 ARG cc_start: 0.7899 (OUTLIER) cc_final: 0.7627 (mtt90) REVERT: S 61 ARG cc_start: 0.7895 (OUTLIER) cc_final: 0.7616 (mtt90) REVERT: T 88 MET cc_start: 0.9137 (mmm) cc_final: 0.8901 (mmm) REVERT: T 112 MET cc_start: 0.8746 (ppp) cc_final: 0.8491 (tmt) REVERT: U 61 ARG cc_start: 0.7889 (OUTLIER) cc_final: 0.7624 (mtt90) REVERT: W 61 ARG cc_start: 0.7945 (OUTLIER) cc_final: 0.7686 (mtt90) REVERT: W 112 MET cc_start: 0.8558 (ppp) cc_final: 0.8127 (tmt) REVERT: W 284 GLN cc_start: 0.8549 (OUTLIER) cc_final: 0.7845 (mp10) REVERT: X 61 ARG cc_start: 0.7892 (ttm110) cc_final: 0.7634 (mtt90) REVERT: X 127 THR cc_start: 0.9010 (m) cc_final: 0.8670 (m) REVERT: Y 61 ARG cc_start: 0.7942 (OUTLIER) cc_final: 0.7686 (mtt90) REVERT: Y 112 MET cc_start: 0.8556 (ppp) cc_final: 0.8136 (tmt) REVERT: Y 284 GLN cc_start: 0.8559 (OUTLIER) cc_final: 0.7879 (mp10) REVERT: Z 61 ARG cc_start: 0.7890 (ttm110) cc_final: 0.7636 (mtt90) REVERT: Z 127 THR cc_start: 0.9026 (m) cc_final: 0.8699 (m) REVERT: 8 61 ARG cc_start: 0.7886 (OUTLIER) cc_final: 0.6871 (mtm180) REVERT: 8 127 THR cc_start: 0.8930 (m) cc_final: 0.8641 (m) REVERT: 8 284 GLN cc_start: 0.8508 (OUTLIER) cc_final: 0.8083 (mp10) REVERT: 7 61 ARG cc_start: 0.7873 (OUTLIER) cc_final: 0.6866 (mtm180) REVERT: 7 284 GLN cc_start: 0.8499 (OUTLIER) cc_final: 0.8083 (mp10) REVERT: 7 322 ASN cc_start: 0.8558 (p0) cc_final: 0.8347 (p0) REVERT: 6 284 GLN cc_start: 0.8521 (OUTLIER) cc_final: 0.8107 (mp10) REVERT: 5 61 ARG cc_start: 0.7889 (OUTLIER) cc_final: 0.6885 (mtm180) REVERT: 5 284 GLN cc_start: 0.8485 (OUTLIER) cc_final: 0.8076 (mp10) REVERT: 4 284 GLN cc_start: 0.8507 (OUTLIER) cc_final: 0.8102 (mp10) REVERT: 3 284 GLN cc_start: 0.8522 (OUTLIER) cc_final: 0.8107 (mp10) REVERT: a 88 MET cc_start: 0.9132 (mmm) cc_final: 0.8901 (mmm) REVERT: a 112 MET cc_start: 0.8743 (ppp) cc_final: 0.8489 (tmt) REVERT: b 61 ARG cc_start: 0.7873 (ttm110) cc_final: 0.7619 (mtt90) REVERT: b 127 THR cc_start: 0.9017 (m) cc_final: 0.8689 (m) REVERT: c 61 ARG cc_start: 0.7958 (OUTLIER) cc_final: 0.7705 (mtt90) REVERT: c 88 MET cc_start: 0.8920 (mmm) cc_final: 0.8418 (mmm) REVERT: c 112 MET cc_start: 0.8559 (ppp) cc_final: 0.8135 (tmt) REVERT: c 284 GLN cc_start: 0.8554 (OUTLIER) cc_final: 0.7851 (mp10) REVERT: d 61 ARG cc_start: 0.7971 (OUTLIER) cc_final: 0.7710 (mtt90) REVERT: d 80 MET cc_start: 0.8799 (OUTLIER) cc_final: 0.8127 (ptt) REVERT: d 112 MET cc_start: 0.8549 (ppp) cc_final: 0.8134 (tmt) REVERT: d 284 GLN cc_start: 0.8557 (OUTLIER) cc_final: 0.7864 (mp10) REVERT: e 61 ARG cc_start: 0.7951 (OUTLIER) cc_final: 0.7704 (mtt90) REVERT: e 112 MET cc_start: 0.8551 (ppp) cc_final: 0.8123 (tmt) REVERT: e 284 GLN cc_start: 0.8556 (OUTLIER) cc_final: 0.7850 (mp10) REVERT: f 61 ARG cc_start: 0.7890 (ttm110) cc_final: 0.7637 (mtt90) REVERT: f 127 THR cc_start: 0.9021 (m) cc_final: 0.8693 (m) REVERT: g 88 MET cc_start: 0.9135 (mmm) cc_final: 0.8900 (mmm) REVERT: g 112 MET cc_start: 0.8743 (ppp) cc_final: 0.8489 (tmt) REVERT: h 61 ARG cc_start: 0.7882 (OUTLIER) cc_final: 0.6890 (mtm180) REVERT: h 127 THR cc_start: 0.8930 (m) cc_final: 0.8642 (m) REVERT: h 284 GLN cc_start: 0.8483 (OUTLIER) cc_final: 0.8070 (mp10) REVERT: i 61 ARG cc_start: 0.7873 (ttm110) cc_final: 0.7618 (mtt90) REVERT: i 80 MET cc_start: 0.9230 (OUTLIER) cc_final: 0.8652 (ptt) REVERT: i 127 THR cc_start: 0.9025 (m) cc_final: 0.8688 (m) REVERT: k 61 ARG cc_start: 0.7895 (OUTLIER) cc_final: 0.7622 (mtt90) REVERT: l 61 ARG cc_start: 0.7892 (OUTLIER) cc_final: 0.7619 (mtt90) REVERT: m 61 ARG cc_start: 0.7894 (OUTLIER) cc_final: 0.7627 (mtt90) REVERT: n 61 ARG cc_start: 0.7884 (ttm110) cc_final: 0.7626 (mtt90) REVERT: n 80 MET cc_start: 0.9230 (OUTLIER) cc_final: 0.8670 (ptt) REVERT: n 127 THR cc_start: 0.9029 (m) cc_final: 0.8695 (m) REVERT: n 284 GLN cc_start: 0.8444 (OUTLIER) cc_final: 0.7831 (mp10) REVERT: o 80 MET cc_start: 0.9175 (ptt) cc_final: 0.8724 (ptt) REVERT: o 207 LYS cc_start: 0.8687 (OUTLIER) cc_final: 0.8370 (mtpp) REVERT: p 61 ARG cc_start: 0.7878 (OUTLIER) cc_final: 0.6895 (mtm180) REVERT: p 284 GLN cc_start: 0.8470 (OUTLIER) cc_final: 0.8067 (mp10) REVERT: q 61 ARG cc_start: 0.7895 (ttm110) cc_final: 0.7638 (mtt90) REVERT: q 127 THR cc_start: 0.9020 (m) cc_final: 0.8666 (m) REVERT: r 183 MET cc_start: 0.9237 (OUTLIER) cc_final: 0.9000 (ttp) REVERT: r 207 LYS cc_start: 0.8686 (OUTLIER) cc_final: 0.8374 (mtpp) REVERT: s 127 THR cc_start: 0.8930 (m) cc_final: 0.8643 (m) REVERT: s 284 GLN cc_start: 0.8517 (OUTLIER) cc_final: 0.8100 (mp10) REVERT: t 61 ARG cc_start: 0.7900 (OUTLIER) cc_final: 0.7619 (mtt90) REVERT: u 61 ARG cc_start: 0.7895 (OUTLIER) cc_final: 0.7628 (mtt90) REVERT: v 61 ARG cc_start: 0.7897 (OUTLIER) cc_final: 0.7618 (mtt90) REVERT: w 61 ARG cc_start: 0.7886 (OUTLIER) cc_final: 0.6870 (mtm180) REVERT: w 127 THR cc_start: 0.8930 (m) cc_final: 0.8641 (m) REVERT: w 284 GLN cc_start: 0.8503 (OUTLIER) cc_final: 0.8084 (mp10) REVERT: x 88 MET cc_start: 0.9136 (mmm) cc_final: 0.8899 (mmm) REVERT: x 112 MET cc_start: 0.8744 (ppp) cc_final: 0.8488 (tmt) REVERT: y 61 ARG cc_start: 0.7968 (OUTLIER) cc_final: 0.7706 (mtt90) REVERT: y 110 TYR cc_start: 0.8367 (t80) cc_final: 0.8157 (t80) REVERT: y 112 MET cc_start: 0.8537 (ppp) cc_final: 0.8116 (tmt) REVERT: y 233 ASP cc_start: 0.7900 (t70) cc_final: 0.7357 (t70) REVERT: y 284 GLN cc_start: 0.8557 (OUTLIER) cc_final: 0.7864 (mp10) REVERT: z 61 ARG cc_start: 0.7951 (OUTLIER) cc_final: 0.7703 (mtt90) REVERT: z 112 MET cc_start: 0.8557 (ppp) cc_final: 0.8134 (tmt) REVERT: z 284 GLN cc_start: 0.8557 (OUTLIER) cc_final: 0.7849 (mp10) REVERT: 1 61 ARG cc_start: 0.7956 (OUTLIER) cc_final: 0.7692 (mtt90) REVERT: 1 88 MET cc_start: 0.8914 (mmm) cc_final: 0.8403 (mmm) REVERT: 1 112 MET cc_start: 0.8557 (ppp) cc_final: 0.8133 (tmt) REVERT: 1 284 GLN cc_start: 0.8551 (OUTLIER) cc_final: 0.7843 (mp10) REVERT: 2 61 ARG cc_start: 0.7899 (ttm110) cc_final: 0.7640 (mtt90) REVERT: 2 80 MET cc_start: 0.9231 (OUTLIER) cc_final: 0.8680 (ptt) REVERT: 2 127 THR cc_start: 0.9024 (m) cc_final: 0.8694 (m) outliers start: 990 outliers final: 607 residues processed: 3360 average time/residue: 1.6929 time to fit residues: 8587.0708 Evaluate side-chains 3317 residues out of total 17520 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 675 poor density : 2642 time to evaluate : 11.672 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 61 ARG Chi-restraints excluded: chain A residue 80 MET Chi-restraints excluded: chain A residue 87 VAL Chi-restraints excluded: chain A residue 112 MET Chi-restraints excluded: chain A residue 147 THR Chi-restraints excluded: chain A residue 176 THR Chi-restraints excluded: chain A residue 182 SER Chi-restraints excluded: chain A residue 191 SER Chi-restraints excluded: chain A residue 239 VAL Chi-restraints excluded: chain A residue 259 ASN Chi-restraints excluded: chain A residue 260 VAL Chi-restraints excluded: chain A residue 284 GLN Chi-restraints excluded: chain A residue 292 THR Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 340 LYS Chi-restraints excluded: chain B residue 57 MET Chi-restraints excluded: chain B residue 61 ARG Chi-restraints excluded: chain B residue 105 VAL Chi-restraints excluded: chain B residue 124 VAL Chi-restraints excluded: chain B residue 129 SER Chi-restraints excluded: chain B residue 147 THR Chi-restraints excluded: chain B residue 176 THR Chi-restraints excluded: chain B residue 191 SER Chi-restraints excluded: chain B residue 239 VAL Chi-restraints excluded: chain B residue 259 ASN Chi-restraints excluded: chain B residue 260 VAL Chi-restraints excluded: chain B residue 284 GLN Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 350 CYS Chi-restraints excluded: chain C residue 176 THR Chi-restraints excluded: chain C residue 191 SER Chi-restraints excluded: chain C residue 232 SER Chi-restraints excluded: chain C residue 239 VAL Chi-restraints excluded: chain C residue 243 ASN Chi-restraints excluded: chain C residue 260 VAL Chi-restraints excluded: chain C residue 350 CYS Chi-restraints excluded: chain D residue 61 ARG Chi-restraints excluded: chain D residue 80 MET Chi-restraints excluded: chain D residue 124 VAL Chi-restraints excluded: chain D residue 129 SER Chi-restraints excluded: chain D residue 182 SER Chi-restraints excluded: chain D residue 191 SER Chi-restraints excluded: chain D residue 239 VAL Chi-restraints excluded: chain D residue 259 ASN Chi-restraints excluded: chain D residue 260 VAL Chi-restraints excluded: chain D residue 284 GLN Chi-restraints excluded: chain D residue 350 CYS Chi-restraints excluded: chain E residue 112 MET Chi-restraints excluded: chain E residue 116 CYS Chi-restraints excluded: chain E residue 124 VAL Chi-restraints excluded: chain E residue 182 SER Chi-restraints excluded: chain E residue 186 LEU Chi-restraints excluded: chain E residue 191 SER Chi-restraints excluded: chain E residue 207 LYS Chi-restraints excluded: chain E residue 239 VAL Chi-restraints excluded: chain E residue 260 VAL Chi-restraints excluded: chain E residue 313 SER Chi-restraints excluded: chain E residue 353 VAL Chi-restraints excluded: chain F residue 61 ARG Chi-restraints excluded: chain F residue 85 TRP Chi-restraints excluded: chain F residue 87 VAL Chi-restraints excluded: chain F residue 112 MET Chi-restraints excluded: chain F residue 135 SER Chi-restraints excluded: chain F residue 147 THR Chi-restraints excluded: chain F residue 176 THR Chi-restraints excluded: chain F residue 191 SER Chi-restraints excluded: chain F residue 239 VAL Chi-restraints excluded: chain F residue 258 ILE Chi-restraints excluded: chain F residue 259 ASN Chi-restraints excluded: chain F residue 260 VAL Chi-restraints excluded: chain F residue 284 GLN Chi-restraints excluded: chain F residue 313 SER Chi-restraints excluded: chain F residue 340 LYS Chi-restraints excluded: chain F residue 350 CYS Chi-restraints excluded: chain G residue 80 MET Chi-restraints excluded: chain G residue 112 MET Chi-restraints excluded: chain G residue 116 CYS Chi-restraints excluded: chain G residue 124 VAL Chi-restraints excluded: chain G residue 147 THR Chi-restraints excluded: chain G residue 182 SER Chi-restraints excluded: chain G residue 186 LEU Chi-restraints excluded: chain G residue 207 LYS Chi-restraints excluded: chain G residue 239 VAL Chi-restraints excluded: chain G residue 260 VAL Chi-restraints excluded: chain G residue 313 SER Chi-restraints excluded: chain G residue 353 VAL Chi-restraints excluded: chain H residue 61 ARG Chi-restraints excluded: chain H residue 124 VAL Chi-restraints excluded: chain H residue 129 SER Chi-restraints excluded: chain H residue 182 SER Chi-restraints excluded: chain H residue 191 SER Chi-restraints excluded: chain H residue 239 VAL Chi-restraints excluded: chain H residue 259 ASN Chi-restraints excluded: chain H residue 260 VAL Chi-restraints excluded: chain H residue 284 GLN Chi-restraints excluded: chain H residue 350 CYS Chi-restraints excluded: chain I residue 176 THR Chi-restraints excluded: chain I residue 191 SER Chi-restraints excluded: chain I residue 207 LYS Chi-restraints excluded: chain I residue 232 SER Chi-restraints excluded: chain I residue 239 VAL Chi-restraints excluded: chain I residue 243 ASN Chi-restraints excluded: chain I residue 260 VAL Chi-restraints excluded: chain I residue 350 CYS Chi-restraints excluded: chain J residue 57 MET Chi-restraints excluded: chain J residue 61 ARG Chi-restraints excluded: chain J residue 105 VAL Chi-restraints excluded: chain J residue 124 VAL Chi-restraints excluded: chain J residue 129 SER Chi-restraints excluded: chain J residue 147 THR Chi-restraints excluded: chain J residue 176 THR Chi-restraints excluded: chain J residue 191 SER Chi-restraints excluded: chain J residue 239 VAL Chi-restraints excluded: chain J residue 259 ASN Chi-restraints excluded: chain J residue 260 VAL Chi-restraints excluded: chain J residue 284 GLN Chi-restraints excluded: chain J residue 313 SER Chi-restraints excluded: chain J residue 350 CYS Chi-restraints excluded: chain K residue 176 THR Chi-restraints excluded: chain K residue 191 SER Chi-restraints excluded: chain K residue 232 SER Chi-restraints excluded: chain K residue 239 VAL Chi-restraints excluded: chain K residue 243 ASN Chi-restraints excluded: chain K residue 260 VAL Chi-restraints excluded: chain L residue 57 MET Chi-restraints excluded: chain L residue 61 ARG Chi-restraints excluded: chain L residue 105 VAL Chi-restraints excluded: chain L residue 123 LYS Chi-restraints excluded: chain L residue 124 VAL Chi-restraints excluded: chain L residue 129 SER Chi-restraints excluded: chain L residue 147 THR Chi-restraints excluded: chain L residue 176 THR Chi-restraints excluded: chain L residue 239 VAL Chi-restraints excluded: chain L residue 259 ASN Chi-restraints excluded: chain L residue 260 VAL Chi-restraints excluded: chain L residue 284 GLN Chi-restraints excluded: chain L residue 313 SER Chi-restraints excluded: chain L residue 350 CYS Chi-restraints excluded: chain M residue 112 MET Chi-restraints excluded: chain M residue 116 CYS Chi-restraints excluded: chain M residue 124 VAL Chi-restraints excluded: chain M residue 182 SER Chi-restraints excluded: chain M residue 186 LEU Chi-restraints excluded: chain M residue 207 LYS Chi-restraints excluded: chain M residue 239 VAL Chi-restraints excluded: chain M residue 260 VAL Chi-restraints excluded: chain M residue 318 LEU Chi-restraints excluded: chain M residue 353 VAL Chi-restraints excluded: chain N residue 61 ARG Chi-restraints excluded: chain N residue 124 VAL Chi-restraints excluded: chain N residue 129 SER Chi-restraints excluded: chain N residue 191 SER Chi-restraints excluded: chain N residue 239 VAL Chi-restraints excluded: chain N residue 260 VAL Chi-restraints excluded: chain N residue 284 GLN Chi-restraints excluded: chain N residue 318 LEU Chi-restraints excluded: chain N residue 350 CYS Chi-restraints excluded: chain O residue 80 MET Chi-restraints excluded: chain O residue 112 MET Chi-restraints excluded: chain O residue 116 CYS Chi-restraints excluded: chain O residue 124 VAL Chi-restraints excluded: chain O residue 182 SER Chi-restraints excluded: chain O residue 186 LEU Chi-restraints excluded: chain O residue 207 LYS Chi-restraints excluded: chain O residue 239 VAL Chi-restraints excluded: chain O residue 260 VAL Chi-restraints excluded: chain O residue 318 LEU Chi-restraints excluded: chain O residue 353 VAL Chi-restraints excluded: chain P residue 61 ARG Chi-restraints excluded: chain P residue 124 VAL Chi-restraints excluded: chain P residue 129 SER Chi-restraints excluded: chain P residue 182 SER Chi-restraints excluded: chain P residue 191 SER Chi-restraints excluded: chain P residue 239 VAL Chi-restraints excluded: chain P residue 260 VAL Chi-restraints excluded: chain P residue 284 GLN Chi-restraints excluded: chain P residue 350 CYS Chi-restraints excluded: chain Q residue 176 THR Chi-restraints excluded: chain Q residue 191 SER Chi-restraints excluded: chain Q residue 207 LYS Chi-restraints excluded: chain Q residue 232 SER Chi-restraints excluded: chain Q residue 239 VAL Chi-restraints excluded: chain Q residue 243 ASN Chi-restraints excluded: chain Q residue 260 VAL Chi-restraints excluded: chain Q residue 350 CYS Chi-restraints excluded: chain R residue 57 MET Chi-restraints excluded: chain R residue 61 ARG Chi-restraints excluded: chain R residue 105 VAL Chi-restraints excluded: chain R residue 124 VAL Chi-restraints excluded: chain R residue 129 SER Chi-restraints excluded: chain R residue 147 THR Chi-restraints excluded: chain R residue 176 THR Chi-restraints excluded: chain R residue 191 SER Chi-restraints excluded: chain R residue 239 VAL Chi-restraints excluded: chain R residue 259 ASN Chi-restraints excluded: chain R residue 260 VAL Chi-restraints excluded: chain R residue 284 GLN Chi-restraints excluded: chain R residue 313 SER Chi-restraints excluded: chain R residue 350 CYS Chi-restraints excluded: chain S residue 57 MET Chi-restraints excluded: chain S residue 61 ARG Chi-restraints excluded: chain S residue 105 VAL Chi-restraints excluded: chain S residue 124 VAL Chi-restraints excluded: chain S residue 129 SER Chi-restraints excluded: chain S residue 147 THR Chi-restraints excluded: chain S residue 176 THR Chi-restraints excluded: chain S residue 191 SER Chi-restraints excluded: chain S residue 239 VAL Chi-restraints excluded: chain S residue 259 ASN Chi-restraints excluded: chain S residue 260 VAL Chi-restraints excluded: chain S residue 284 GLN Chi-restraints excluded: chain S residue 313 SER Chi-restraints excluded: chain S residue 350 CYS Chi-restraints excluded: chain T residue 176 THR Chi-restraints excluded: chain T residue 191 SER Chi-restraints excluded: chain T residue 232 SER Chi-restraints excluded: chain T residue 239 VAL Chi-restraints excluded: chain T residue 243 ASN Chi-restraints excluded: chain T residue 260 VAL Chi-restraints excluded: chain U residue 57 MET Chi-restraints excluded: chain U residue 61 ARG Chi-restraints excluded: chain U residue 105 VAL Chi-restraints excluded: chain U residue 124 VAL Chi-restraints excluded: chain U residue 129 SER Chi-restraints excluded: chain U residue 147 THR Chi-restraints excluded: chain U residue 176 THR Chi-restraints excluded: chain U residue 191 SER Chi-restraints excluded: chain U residue 239 VAL Chi-restraints excluded: chain U residue 259 ASN Chi-restraints excluded: chain U residue 260 VAL Chi-restraints excluded: chain U residue 284 GLN Chi-restraints excluded: chain U residue 313 SER Chi-restraints excluded: chain U residue 350 CYS Chi-restraints excluded: chain V residue 176 THR Chi-restraints excluded: chain V residue 191 SER Chi-restraints excluded: chain V residue 232 SER Chi-restraints excluded: chain V residue 239 VAL Chi-restraints excluded: chain V residue 243 ASN Chi-restraints excluded: chain V residue 260 VAL Chi-restraints excluded: chain V residue 350 CYS Chi-restraints excluded: chain W residue 61 ARG Chi-restraints excluded: chain W residue 124 VAL Chi-restraints excluded: chain W residue 129 SER Chi-restraints excluded: chain W residue 182 SER Chi-restraints excluded: chain W residue 191 SER Chi-restraints excluded: chain W residue 239 VAL Chi-restraints excluded: chain W residue 259 ASN Chi-restraints excluded: chain W residue 260 VAL Chi-restraints excluded: chain W residue 284 GLN Chi-restraints excluded: chain W residue 318 LEU Chi-restraints excluded: chain W residue 350 CYS Chi-restraints excluded: chain X residue 112 MET Chi-restraints excluded: chain X residue 116 CYS Chi-restraints excluded: chain X residue 124 VAL Chi-restraints excluded: chain X residue 182 SER Chi-restraints excluded: chain X residue 186 LEU Chi-restraints excluded: chain X residue 207 LYS Chi-restraints excluded: chain X residue 239 VAL Chi-restraints excluded: chain X residue 260 VAL Chi-restraints excluded: chain X residue 318 LEU Chi-restraints excluded: chain X residue 353 VAL Chi-restraints excluded: chain Y residue 61 ARG Chi-restraints excluded: chain Y residue 124 VAL Chi-restraints excluded: chain Y residue 129 SER Chi-restraints excluded: chain Y residue 167 LEU Chi-restraints excluded: chain Y residue 182 SER Chi-restraints excluded: chain Y residue 191 SER Chi-restraints excluded: chain Y residue 239 VAL Chi-restraints excluded: chain Y residue 260 VAL Chi-restraints excluded: chain Y residue 284 GLN Chi-restraints excluded: chain Y residue 350 CYS Chi-restraints excluded: chain Z residue 112 MET Chi-restraints excluded: chain Z residue 116 CYS Chi-restraints excluded: chain Z residue 124 VAL Chi-restraints excluded: chain Z residue 182 SER Chi-restraints excluded: chain Z residue 186 LEU Chi-restraints excluded: chain Z residue 207 LYS Chi-restraints excluded: chain Z residue 239 VAL Chi-restraints excluded: chain Z residue 260 VAL Chi-restraints excluded: chain Z residue 318 LEU Chi-restraints excluded: chain Z residue 353 VAL Chi-restraints excluded: chain 8 residue 50 THR Chi-restraints excluded: chain 8 residue 61 ARG Chi-restraints excluded: chain 8 residue 87 VAL Chi-restraints excluded: chain 8 residue 112 MET Chi-restraints excluded: chain 8 residue 135 SER Chi-restraints excluded: chain 8 residue 147 THR Chi-restraints excluded: chain 8 residue 176 THR Chi-restraints excluded: chain 8 residue 191 SER Chi-restraints excluded: chain 8 residue 239 VAL Chi-restraints excluded: chain 8 residue 258 ILE Chi-restraints excluded: chain 8 residue 260 VAL Chi-restraints excluded: chain 8 residue 284 GLN Chi-restraints excluded: chain 8 residue 292 THR Chi-restraints excluded: chain 8 residue 313 SER Chi-restraints excluded: chain 7 residue 61 ARG Chi-restraints excluded: chain 7 residue 87 VAL Chi-restraints excluded: chain 7 residue 112 MET Chi-restraints excluded: chain 7 residue 147 THR Chi-restraints excluded: chain 7 residue 176 THR Chi-restraints excluded: chain 7 residue 182 SER Chi-restraints excluded: chain 7 residue 239 VAL Chi-restraints excluded: chain 7 residue 258 ILE Chi-restraints excluded: chain 7 residue 260 VAL Chi-restraints excluded: chain 7 residue 284 GLN Chi-restraints excluded: chain 7 residue 313 SER Chi-restraints excluded: chain 6 residue 57 MET Chi-restraints excluded: chain 6 residue 61 ARG Chi-restraints excluded: chain 6 residue 87 VAL Chi-restraints excluded: chain 6 residue 112 MET Chi-restraints excluded: chain 6 residue 135 SER Chi-restraints excluded: chain 6 residue 147 THR Chi-restraints excluded: chain 6 residue 176 THR Chi-restraints excluded: chain 6 residue 182 SER Chi-restraints excluded: chain 6 residue 191 SER Chi-restraints excluded: chain 6 residue 239 VAL Chi-restraints excluded: chain 6 residue 258 ILE Chi-restraints excluded: chain 6 residue 259 ASN Chi-restraints excluded: chain 6 residue 260 VAL Chi-restraints excluded: chain 6 residue 284 GLN Chi-restraints excluded: chain 6 residue 313 SER Chi-restraints excluded: chain 5 residue 50 THR Chi-restraints excluded: chain 5 residue 57 MET Chi-restraints excluded: chain 5 residue 61 ARG Chi-restraints excluded: chain 5 residue 87 VAL Chi-restraints excluded: chain 5 residue 112 MET Chi-restraints excluded: chain 5 residue 135 SER Chi-restraints excluded: chain 5 residue 147 THR Chi-restraints excluded: chain 5 residue 176 THR Chi-restraints excluded: chain 5 residue 191 SER Chi-restraints excluded: chain 5 residue 232 SER Chi-restraints excluded: chain 5 residue 239 VAL Chi-restraints excluded: chain 5 residue 258 ILE Chi-restraints excluded: chain 5 residue 260 VAL Chi-restraints excluded: chain 5 residue 284 GLN Chi-restraints excluded: chain 5 residue 292 THR Chi-restraints excluded: chain 5 residue 313 SER Chi-restraints excluded: chain 4 residue 61 ARG Chi-restraints excluded: chain 4 residue 80 MET Chi-restraints excluded: chain 4 residue 85 TRP Chi-restraints excluded: chain 4 residue 87 VAL Chi-restraints excluded: chain 4 residue 112 MET Chi-restraints excluded: chain 4 residue 135 SER Chi-restraints excluded: chain 4 residue 147 THR Chi-restraints excluded: chain 4 residue 176 THR Chi-restraints excluded: chain 4 residue 191 SER Chi-restraints excluded: chain 4 residue 239 VAL Chi-restraints excluded: chain 4 residue 258 ILE Chi-restraints excluded: chain 4 residue 259 ASN Chi-restraints excluded: chain 4 residue 260 VAL Chi-restraints excluded: chain 4 residue 284 GLN Chi-restraints excluded: chain 4 residue 292 THR Chi-restraints excluded: chain 4 residue 313 SER Chi-restraints excluded: chain 4 residue 340 LYS Chi-restraints excluded: chain 3 residue 61 ARG Chi-restraints excluded: chain 3 residue 85 TRP Chi-restraints excluded: chain 3 residue 87 VAL Chi-restraints excluded: chain 3 residue 112 MET Chi-restraints excluded: chain 3 residue 135 SER Chi-restraints excluded: chain 3 residue 147 THR Chi-restraints excluded: chain 3 residue 176 THR Chi-restraints excluded: chain 3 residue 191 SER Chi-restraints excluded: chain 3 residue 239 VAL Chi-restraints excluded: chain 3 residue 258 ILE Chi-restraints excluded: chain 3 residue 259 ASN Chi-restraints excluded: chain 3 residue 260 VAL Chi-restraints excluded: chain 3 residue 284 GLN Chi-restraints excluded: chain 3 residue 292 THR Chi-restraints excluded: chain 3 residue 313 SER Chi-restraints excluded: chain a residue 176 THR Chi-restraints excluded: chain a residue 191 SER Chi-restraints excluded: chain a residue 232 SER Chi-restraints excluded: chain a residue 239 VAL Chi-restraints excluded: chain a residue 243 ASN Chi-restraints excluded: chain a residue 260 VAL Chi-restraints excluded: chain a residue 350 CYS Chi-restraints excluded: chain b residue 112 MET Chi-restraints excluded: chain b residue 116 CYS Chi-restraints excluded: chain b residue 124 VAL Chi-restraints excluded: chain b residue 182 SER Chi-restraints excluded: chain b residue 186 LEU Chi-restraints excluded: chain b residue 207 LYS Chi-restraints excluded: chain b residue 239 VAL Chi-restraints excluded: chain b residue 260 VAL Chi-restraints excluded: chain b residue 318 LEU Chi-restraints excluded: chain b residue 353 VAL Chi-restraints excluded: chain c residue 61 ARG Chi-restraints excluded: chain c residue 124 VAL Chi-restraints excluded: chain c residue 129 SER Chi-restraints excluded: chain c residue 191 SER Chi-restraints excluded: chain c residue 239 VAL Chi-restraints excluded: chain c residue 260 VAL Chi-restraints excluded: chain c residue 284 GLN Chi-restraints excluded: chain c residue 318 LEU Chi-restraints excluded: chain c residue 350 CYS Chi-restraints excluded: chain d residue 61 ARG Chi-restraints excluded: chain d residue 80 MET Chi-restraints excluded: chain d residue 124 VAL Chi-restraints excluded: chain d residue 129 SER Chi-restraints excluded: chain d residue 182 SER Chi-restraints excluded: chain d residue 191 SER Chi-restraints excluded: chain d residue 239 VAL Chi-restraints excluded: chain d residue 260 VAL Chi-restraints excluded: chain d residue 284 GLN Chi-restraints excluded: chain d residue 350 CYS Chi-restraints excluded: chain e residue 61 ARG Chi-restraints excluded: chain e residue 124 VAL Chi-restraints excluded: chain e residue 129 SER Chi-restraints excluded: chain e residue 167 LEU Chi-restraints excluded: chain e residue 191 SER Chi-restraints excluded: chain e residue 239 VAL Chi-restraints excluded: chain e residue 260 VAL Chi-restraints excluded: chain e residue 284 GLN Chi-restraints excluded: chain e residue 350 CYS Chi-restraints excluded: chain f residue 112 MET Chi-restraints excluded: chain f residue 116 CYS Chi-restraints excluded: chain f residue 124 VAL Chi-restraints excluded: chain f residue 182 SER Chi-restraints excluded: chain f residue 186 LEU Chi-restraints excluded: chain f residue 207 LYS Chi-restraints excluded: chain f residue 239 VAL Chi-restraints excluded: chain f residue 260 VAL Chi-restraints excluded: chain f residue 318 LEU Chi-restraints excluded: chain f residue 353 VAL Chi-restraints excluded: chain g residue 176 THR Chi-restraints excluded: chain g residue 191 SER Chi-restraints excluded: chain g residue 232 SER Chi-restraints excluded: chain g residue 239 VAL Chi-restraints excluded: chain g residue 243 ASN Chi-restraints excluded: chain g residue 260 VAL Chi-restraints excluded: chain h residue 50 THR Chi-restraints excluded: chain h residue 61 ARG Chi-restraints excluded: chain h residue 85 TRP Chi-restraints excluded: chain h residue 87 VAL Chi-restraints excluded: chain h residue 112 MET Chi-restraints excluded: chain h residue 135 SER Chi-restraints excluded: chain h residue 147 THR Chi-restraints excluded: chain h residue 176 THR Chi-restraints excluded: chain h residue 191 SER Chi-restraints excluded: chain h residue 232 SER Chi-restraints excluded: chain h residue 239 VAL Chi-restraints excluded: chain h residue 258 ILE Chi-restraints excluded: chain h residue 260 VAL Chi-restraints excluded: chain h residue 284 GLN Chi-restraints excluded: chain h residue 292 THR Chi-restraints excluded: chain i residue 80 MET Chi-restraints excluded: chain i residue 112 MET Chi-restraints excluded: chain i residue 116 CYS Chi-restraints excluded: chain i residue 124 VAL Chi-restraints excluded: chain i residue 182 SER Chi-restraints excluded: chain i residue 186 LEU Chi-restraints excluded: chain i residue 207 LYS Chi-restraints excluded: chain i residue 239 VAL Chi-restraints excluded: chain i residue 260 VAL Chi-restraints excluded: chain i residue 318 LEU Chi-restraints excluded: chain i residue 353 VAL Chi-restraints excluded: chain j residue 176 THR Chi-restraints excluded: chain j residue 191 SER Chi-restraints excluded: chain j residue 232 SER Chi-restraints excluded: chain j residue 239 VAL Chi-restraints excluded: chain j residue 243 ASN Chi-restraints excluded: chain j residue 260 VAL Chi-restraints excluded: chain j residue 350 CYS Chi-restraints excluded: chain k residue 57 MET Chi-restraints excluded: chain k residue 61 ARG Chi-restraints excluded: chain k residue 105 VAL Chi-restraints excluded: chain k residue 124 VAL Chi-restraints excluded: chain k residue 129 SER Chi-restraints excluded: chain k residue 147 THR Chi-restraints excluded: chain k residue 176 THR Chi-restraints excluded: chain k residue 191 SER Chi-restraints excluded: chain k residue 239 VAL Chi-restraints excluded: chain k residue 259 ASN Chi-restraints excluded: chain k residue 260 VAL Chi-restraints excluded: chain k residue 284 GLN Chi-restraints excluded: chain k residue 313 SER Chi-restraints excluded: chain k residue 350 CYS Chi-restraints excluded: chain l residue 57 MET Chi-restraints excluded: chain l residue 61 ARG Chi-restraints excluded: chain l residue 105 VAL Chi-restraints excluded: chain l residue 124 VAL Chi-restraints excluded: chain l residue 129 SER Chi-restraints excluded: chain l residue 147 THR Chi-restraints excluded: chain l residue 176 THR Chi-restraints excluded: chain l residue 191 SER Chi-restraints excluded: chain l residue 239 VAL Chi-restraints excluded: chain l residue 259 ASN Chi-restraints excluded: chain l residue 260 VAL Chi-restraints excluded: chain l residue 284 GLN Chi-restraints excluded: chain l residue 313 SER Chi-restraints excluded: chain l residue 350 CYS Chi-restraints excluded: chain m residue 57 MET Chi-restraints excluded: chain m residue 61 ARG Chi-restraints excluded: chain m residue 105 VAL Chi-restraints excluded: chain m residue 124 VAL Chi-restraints excluded: chain m residue 129 SER Chi-restraints excluded: chain m residue 147 THR Chi-restraints excluded: chain m residue 176 THR Chi-restraints excluded: chain m residue 191 SER Chi-restraints excluded: chain m residue 239 VAL Chi-restraints excluded: chain m residue 259 ASN Chi-restraints excluded: chain m residue 260 VAL Chi-restraints excluded: chain m residue 284 GLN Chi-restraints excluded: chain m residue 313 SER Chi-restraints excluded: chain m residue 350 CYS Chi-restraints excluded: chain n residue 80 MET Chi-restraints excluded: chain n residue 112 MET Chi-restraints excluded: chain n residue 116 CYS Chi-restraints excluded: chain n residue 124 VAL Chi-restraints excluded: chain n residue 182 SER Chi-restraints excluded: chain n residue 186 LEU Chi-restraints excluded: chain n residue 207 LYS Chi-restraints excluded: chain n residue 239 VAL Chi-restraints excluded: chain n residue 260 VAL Chi-restraints excluded: chain n residue 284 GLN Chi-restraints excluded: chain n residue 313 SER Chi-restraints excluded: chain n residue 353 VAL Chi-restraints excluded: chain o residue 176 THR Chi-restraints excluded: chain o residue 191 SER Chi-restraints excluded: chain o residue 207 LYS Chi-restraints excluded: chain o residue 232 SER Chi-restraints excluded: chain o residue 239 VAL Chi-restraints excluded: chain o residue 243 ASN Chi-restraints excluded: chain o residue 260 VAL Chi-restraints excluded: chain o residue 350 CYS Chi-restraints excluded: chain p residue 61 ARG Chi-restraints excluded: chain p residue 87 VAL Chi-restraints excluded: chain p residue 112 MET Chi-restraints excluded: chain p residue 147 THR Chi-restraints excluded: chain p residue 176 THR Chi-restraints excluded: chain p residue 191 SER Chi-restraints excluded: chain p residue 239 VAL Chi-restraints excluded: chain p residue 258 ILE Chi-restraints excluded: chain p residue 260 VAL Chi-restraints excluded: chain p residue 284 GLN Chi-restraints excluded: chain p residue 313 SER Chi-restraints excluded: chain p residue 340 LYS Chi-restraints excluded: chain q residue 112 MET Chi-restraints excluded: chain q residue 116 CYS Chi-restraints excluded: chain q residue 124 VAL Chi-restraints excluded: chain q residue 182 SER Chi-restraints excluded: chain q residue 186 LEU Chi-restraints excluded: chain q residue 207 LYS Chi-restraints excluded: chain q residue 239 VAL Chi-restraints excluded: chain q residue 260 VAL Chi-restraints excluded: chain q residue 313 SER Chi-restraints excluded: chain q residue 353 VAL Chi-restraints excluded: chain r residue 176 THR Chi-restraints excluded: chain r residue 183 MET Chi-restraints excluded: chain r residue 191 SER Chi-restraints excluded: chain r residue 207 LYS Chi-restraints excluded: chain r residue 232 SER Chi-restraints excluded: chain r residue 239 VAL Chi-restraints excluded: chain r residue 243 ASN Chi-restraints excluded: chain r residue 260 VAL Chi-restraints excluded: chain r residue 350 CYS Chi-restraints excluded: chain s residue 61 ARG Chi-restraints excluded: chain s residue 80 MET Chi-restraints excluded: chain s residue 87 VAL Chi-restraints excluded: chain s residue 112 MET Chi-restraints excluded: chain s residue 135 SER Chi-restraints excluded: chain s residue 147 THR Chi-restraints excluded: chain s residue 176 THR Chi-restraints excluded: chain s residue 182 SER Chi-restraints excluded: chain s residue 191 SER Chi-restraints excluded: chain s residue 239 VAL Chi-restraints excluded: chain s residue 258 ILE Chi-restraints excluded: chain s residue 259 ASN Chi-restraints excluded: chain s residue 260 VAL Chi-restraints excluded: chain s residue 284 GLN Chi-restraints excluded: chain s residue 292 THR Chi-restraints excluded: chain s residue 313 SER Chi-restraints excluded: chain s residue 340 LYS Chi-restraints excluded: chain t residue 57 MET Chi-restraints excluded: chain t residue 61 ARG Chi-restraints excluded: chain t residue 105 VAL Chi-restraints excluded: chain t residue 123 LYS Chi-restraints excluded: chain t residue 124 VAL Chi-restraints excluded: chain t residue 129 SER Chi-restraints excluded: chain t residue 147 THR Chi-restraints excluded: chain t residue 176 THR Chi-restraints excluded: chain t residue 191 SER Chi-restraints excluded: chain t residue 239 VAL Chi-restraints excluded: chain t residue 259 ASN Chi-restraints excluded: chain t residue 260 VAL Chi-restraints excluded: chain t residue 284 GLN Chi-restraints excluded: chain t residue 313 SER Chi-restraints excluded: chain t residue 350 CYS Chi-restraints excluded: chain u residue 57 MET Chi-restraints excluded: chain u residue 61 ARG Chi-restraints excluded: chain u residue 105 VAL Chi-restraints excluded: chain u residue 124 VAL Chi-restraints excluded: chain u residue 129 SER Chi-restraints excluded: chain u residue 147 THR Chi-restraints excluded: chain u residue 176 THR Chi-restraints excluded: chain u residue 191 SER Chi-restraints excluded: chain u residue 239 VAL Chi-restraints excluded: chain u residue 259 ASN Chi-restraints excluded: chain u residue 260 VAL Chi-restraints excluded: chain u residue 284 GLN Chi-restraints excluded: chain u residue 313 SER Chi-restraints excluded: chain u residue 350 CYS Chi-restraints excluded: chain v residue 57 MET Chi-restraints excluded: chain v residue 61 ARG Chi-restraints excluded: chain v residue 105 VAL Chi-restraints excluded: chain v residue 124 VAL Chi-restraints excluded: chain v residue 129 SER Chi-restraints excluded: chain v residue 147 THR Chi-restraints excluded: chain v residue 176 THR Chi-restraints excluded: chain v residue 191 SER Chi-restraints excluded: chain v residue 239 VAL Chi-restraints excluded: chain v residue 259 ASN Chi-restraints excluded: chain v residue 260 VAL Chi-restraints excluded: chain v residue 284 GLN Chi-restraints excluded: chain v residue 313 SER Chi-restraints excluded: chain v residue 350 CYS Chi-restraints excluded: chain w residue 50 THR Chi-restraints excluded: chain w residue 61 ARG Chi-restraints excluded: chain w residue 85 TRP Chi-restraints excluded: chain w residue 87 VAL Chi-restraints excluded: chain w residue 112 MET Chi-restraints excluded: chain w residue 135 SER Chi-restraints excluded: chain w residue 147 THR Chi-restraints excluded: chain w residue 176 THR Chi-restraints excluded: chain w residue 191 SER Chi-restraints excluded: chain w residue 239 VAL Chi-restraints excluded: chain w residue 258 ILE Chi-restraints excluded: chain w residue 260 VAL Chi-restraints excluded: chain w residue 284 GLN Chi-restraints excluded: chain w residue 292 THR Chi-restraints excluded: chain w residue 313 SER Chi-restraints excluded: chain x residue 176 THR Chi-restraints excluded: chain x residue 191 SER Chi-restraints excluded: chain x residue 232 SER Chi-restraints excluded: chain x residue 239 VAL Chi-restraints excluded: chain x residue 243 ASN Chi-restraints excluded: chain x residue 260 VAL Chi-restraints excluded: chain y residue 61 ARG Chi-restraints excluded: chain y residue 124 VAL Chi-restraints excluded: chain y residue 129 SER Chi-restraints excluded: chain y residue 182 SER Chi-restraints excluded: chain y residue 191 SER Chi-restraints excluded: chain y residue 239 VAL Chi-restraints excluded: chain y residue 260 VAL Chi-restraints excluded: chain y residue 284 GLN Chi-restraints excluded: chain y residue 350 CYS Chi-restraints excluded: chain z residue 61 ARG Chi-restraints excluded: chain z residue 124 VAL Chi-restraints excluded: chain z residue 129 SER Chi-restraints excluded: chain z residue 167 LEU Chi-restraints excluded: chain z residue 182 SER Chi-restraints excluded: chain z residue 191 SER Chi-restraints excluded: chain z residue 239 VAL Chi-restraints excluded: chain z residue 260 VAL Chi-restraints excluded: chain z residue 284 GLN Chi-restraints excluded: chain z residue 350 CYS Chi-restraints excluded: chain 1 residue 61 ARG Chi-restraints excluded: chain 1 residue 124 VAL Chi-restraints excluded: chain 1 residue 129 SER Chi-restraints excluded: chain 1 residue 182 SER Chi-restraints excluded: chain 1 residue 191 SER Chi-restraints excluded: chain 1 residue 239 VAL Chi-restraints excluded: chain 1 residue 260 VAL Chi-restraints excluded: chain 1 residue 284 GLN Chi-restraints excluded: chain 1 residue 350 CYS Chi-restraints excluded: chain 2 residue 80 MET Chi-restraints excluded: chain 2 residue 112 MET Chi-restraints excluded: chain 2 residue 116 CYS Chi-restraints excluded: chain 2 residue 124 VAL Chi-restraints excluded: chain 2 residue 182 SER Chi-restraints excluded: chain 2 residue 186 LEU Chi-restraints excluded: chain 2 residue 239 VAL Chi-restraints excluded: chain 2 residue 260 VAL Chi-restraints excluded: chain 2 residue 318 LEU Chi-restraints excluded: chain 2 residue 353 VAL Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1980 random chunks: chunk 1847 optimal weight: 2.9990 chunk 215 optimal weight: 7.9990 chunk 1091 optimal weight: 3.9990 chunk 1398 optimal weight: 2.9990 chunk 1083 optimal weight: 8.9990 chunk 1612 optimal weight: 4.9990 chunk 1069 optimal weight: 5.9990 chunk 1908 optimal weight: 0.6980 chunk 1194 optimal weight: 9.9990 chunk 1163 optimal weight: 4.9990 chunk 881 optimal weight: 7.9990 overall best weight: 3.1388 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 164 GLN ** A 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 259 ASN A 319 ASN ** A 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 342 ASN ** B 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 345 GLN B 368 HIS C 68 ASN C 130 ASN C 284 GLN D 106 HIS ** D 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 259 ASN D 319 ASN ** D 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 259 ASN ** E 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 319 ASN ** G 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 259 ASN ** G 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 106 HIS ** H 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 259 ASN H 319 ASN ** H 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 68 ASN ** I 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 241 GLN I 284 GLN ** I 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 345 GLN J 368 HIS K 68 ASN ** K 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 284 GLN ** L 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 345 GLN L 368 HIS ** M 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 259 ASN ** M 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 106 HIS ** N 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 259 ASN ** N 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 319 ASN ** N 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 259 ASN ** O 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 106 HIS ** P 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 259 ASN ** P 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 68 ASN ** Q 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 241 GLN Q 284 GLN Q 328 GLN ** R 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 312 ASN ** R 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 345 GLN R 368 HIS S 236 ASN ** S 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 345 GLN S 368 HIS T 68 ASN T 130 ASN T 236 ASN T 284 GLN ** U 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 345 GLN U 368 HIS V 68 ASN V 284 GLN W 106 HIS ** W 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 259 ASN W 319 ASN ** W 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 259 ASN ** X 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 106 HIS ** Y 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 259 ASN Y 319 ASN ** Y 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 259 ASN ** Z 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 259 ASN 8 319 ASN ** 8 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 164 GLN ** 7 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 259 ASN 7 319 ASN ** 7 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 319 ASN ** 5 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 259 ASN 5 319 ASN ** 5 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 319 ASN ** 4 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 319 ASN ** a 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 284 GLN a 319 ASN ** b 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 259 ASN ** b 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 106 HIS ** c 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 259 ASN c 319 ASN ** c 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 106 HIS ** d 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 259 ASN d 319 ASN ** d 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 106 HIS ** e 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 259 ASN ** e 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 259 ASN ** f 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 68 ASN g 130 ASN g 284 GLN g 342 ASN ** h 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 259 ASN h 319 ASN ** h 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** i 259 ASN ** i 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 68 ASN j 284 GLN ** k 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 345 GLN k 368 HIS ** l 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 345 GLN l 368 HIS ** m 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 345 GLN m 368 HIS ** n 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 259 ASN ** n 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 68 ASN ** o 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 241 GLN o 284 GLN ** o 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 259 ASN p 319 ASN ** p 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 259 ASN ** q 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 130 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 241 GLN r 284 GLN ** r 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 259 ASN s 319 ASN ** t 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 345 GLN t 368 HIS ** u 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 345 GLN u 368 HIS v 236 ASN ** v 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 345 GLN v 368 HIS w 164 GLN ** w 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 259 ASN w 319 ASN ** w 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 68 ASN x 130 ASN x 236 ASN x 284 GLN x 319 ASN y 106 HIS ** y 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 259 ASN y 319 ASN ** y 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 106 HIS ** z 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 259 ASN z 319 ASN ** z 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 106 HIS ** 1 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 259 ASN 1 319 ASN ** 1 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 259 ASN ** 2 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 133 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8572 moved from start: 0.3281 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.007 0.065 161760 Z= 0.446 Angle : 0.656 5.575 220140 Z= 0.354 Chirality : 0.054 0.199 24060 Planarity : 0.004 0.037 28500 Dihedral : 5.905 21.226 21660 Min Nonbonded Distance : 2.073 Molprobity Statistics. All-atom Clashscore : 16.22 Ramachandran Plot: Outliers : 0.00 % Allowed : 6.47 % Favored : 93.53 % Rotamer: Outliers : 6.45 % Allowed : 15.87 % Favored : 77.68 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.35 (0.06), residues: 19920 helix: -3.01 (0.13), residues: 1200 sheet: -0.58 (0.06), residues: 5940 loop : -0.81 (0.05), residues: 12780 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.021 0.002 TRP S 211 HIS 0.008 0.001 HIS M 159 PHE 0.031 0.003 PHE o 366 TYR 0.015 0.002 TYR y 110 ARG 0.005 0.001 ARG D 120 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 39840 Ramachandran restraints generated. 19920 Oldfield, 0 Emsley, 19920 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 39840 Ramachandran restraints generated. 19920 Oldfield, 0 Emsley, 19920 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3534 residues out of total 17520 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1130 poor density : 2404 time to evaluate : 11.743 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: A 284 GLN cc_start: 0.8480 (OUTLIER) cc_final: 0.8060 (mp10) REVERT: A 345 GLN cc_start: 0.8358 (mt0) cc_final: 0.8144 (mt0) REVERT: B 317 ASN cc_start: 0.8537 (OUTLIER) cc_final: 0.8134 (p0) REVERT: B 338 GLU cc_start: 0.7654 (OUTLIER) cc_final: 0.6629 (mp0) REVERT: C 80 MET cc_start: 0.9253 (OUTLIER) cc_final: 0.8727 (ptt) REVERT: C 88 MET cc_start: 0.9083 (mmm) cc_final: 0.8782 (mmm) REVERT: C 112 MET cc_start: 0.8805 (ppp) cc_final: 0.8347 (tmm) REVERT: D 61 ARG cc_start: 0.8129 (OUTLIER) cc_final: 0.7803 (mtt90) REVERT: D 92 CYS cc_start: 0.8285 (OUTLIER) cc_final: 0.8050 (p) REVERT: D 112 MET cc_start: 0.8509 (OUTLIER) cc_final: 0.8248 (tmt) REVERT: D 123 LYS cc_start: 0.8364 (OUTLIER) cc_final: 0.7792 (tptm) REVERT: D 284 GLN cc_start: 0.8591 (OUTLIER) cc_final: 0.7921 (mp10) REVERT: E 61 ARG cc_start: 0.8076 (OUTLIER) cc_final: 0.7562 (ttm110) REVERT: E 80 MET cc_start: 0.9237 (OUTLIER) cc_final: 0.8866 (ptt) REVERT: E 284 GLN cc_start: 0.8526 (OUTLIER) cc_final: 0.7916 (mp10) REVERT: F 80 MET cc_start: 0.9169 (OUTLIER) cc_final: 0.8450 (pmt) REVERT: F 284 GLN cc_start: 0.8512 (OUTLIER) cc_final: 0.8108 (mp10) REVERT: G 61 ARG cc_start: 0.8076 (OUTLIER) cc_final: 0.7565 (ttm110) REVERT: G 284 GLN cc_start: 0.8540 (OUTLIER) cc_final: 0.7931 (mp10) REVERT: H 61 ARG cc_start: 0.8098 (OUTLIER) cc_final: 0.7782 (mtt90) REVERT: H 80 MET cc_start: 0.8842 (OUTLIER) cc_final: 0.8197 (ptt) REVERT: H 92 CYS cc_start: 0.8263 (OUTLIER) cc_final: 0.8022 (p) REVERT: H 112 MET cc_start: 0.8512 (OUTLIER) cc_final: 0.8251 (tmt) REVERT: H 123 LYS cc_start: 0.8367 (OUTLIER) cc_final: 0.7792 (tptm) REVERT: H 284 GLN cc_start: 0.8599 (OUTLIER) cc_final: 0.7936 (mp10) REVERT: I 80 MET cc_start: 0.9263 (ptt) cc_final: 0.8781 (ptt) REVERT: I 88 MET cc_start: 0.9083 (mmm) cc_final: 0.8791 (mmm) REVERT: I 112 MET cc_start: 0.8799 (ppp) cc_final: 0.8355 (tmm) REVERT: I 207 LYS cc_start: 0.8758 (OUTLIER) cc_final: 0.8385 (mtpp) REVERT: J 338 GLU cc_start: 0.7655 (OUTLIER) cc_final: 0.6629 (mp0) REVERT: K 80 MET cc_start: 0.9258 (OUTLIER) cc_final: 0.8742 (ptt) REVERT: K 88 MET cc_start: 0.9090 (mmm) cc_final: 0.8777 (mmm) REVERT: K 112 MET cc_start: 0.8705 (ppp) cc_final: 0.8375 (tmm) REVERT: L 317 ASN cc_start: 0.8535 (OUTLIER) cc_final: 0.8112 (p0) REVERT: L 338 GLU cc_start: 0.7658 (OUTLIER) cc_final: 0.6588 (mp0) REVERT: M 61 ARG cc_start: 0.8068 (OUTLIER) cc_final: 0.7551 (ttm110) REVERT: M 80 MET cc_start: 0.9230 (OUTLIER) cc_final: 0.8861 (ptt) REVERT: M 284 GLN cc_start: 0.8528 (OUTLIER) cc_final: 0.7902 (mp10) REVERT: N 61 ARG cc_start: 0.8129 (OUTLIER) cc_final: 0.7808 (mtt90) REVERT: N 80 MET cc_start: 0.8839 (OUTLIER) cc_final: 0.8176 (ptt) REVERT: N 92 CYS cc_start: 0.8286 (OUTLIER) cc_final: 0.8039 (p) REVERT: N 112 MET cc_start: 0.8511 (OUTLIER) cc_final: 0.8255 (tmt) REVERT: N 123 LYS cc_start: 0.8362 (OUTLIER) cc_final: 0.7791 (tptm) REVERT: N 284 GLN cc_start: 0.8598 (OUTLIER) cc_final: 0.7936 (mp10) REVERT: O 284 GLN cc_start: 0.8517 (OUTLIER) cc_final: 0.7896 (mp10) REVERT: P 61 ARG cc_start: 0.8101 (OUTLIER) cc_final: 0.7779 (mtt90) REVERT: P 80 MET cc_start: 0.8832 (OUTLIER) cc_final: 0.8177 (ptt) REVERT: P 92 CYS cc_start: 0.8270 (OUTLIER) cc_final: 0.8034 (p) REVERT: P 112 MET cc_start: 0.8512 (OUTLIER) cc_final: 0.8250 (tmt) REVERT: P 123 LYS cc_start: 0.8396 (OUTLIER) cc_final: 0.7825 (tptm) REVERT: P 284 GLN cc_start: 0.8597 (OUTLIER) cc_final: 0.7903 (mp10) REVERT: Q 80 MET cc_start: 0.9220 (ptt) cc_final: 0.8742 (ptt) REVERT: Q 88 MET cc_start: 0.9082 (mmm) cc_final: 0.8786 (mmm) REVERT: Q 112 MET cc_start: 0.8799 (ppp) cc_final: 0.8357 (tmm) REVERT: Q 207 LYS cc_start: 0.8758 (OUTLIER) cc_final: 0.8389 (mtpp) REVERT: R 317 ASN cc_start: 0.8540 (OUTLIER) cc_final: 0.8136 (p0) REVERT: R 338 GLU cc_start: 0.7654 (OUTLIER) cc_final: 0.6581 (mp0) REVERT: S 236 ASN cc_start: 0.8570 (OUTLIER) cc_final: 0.8367 (p0) REVERT: S 317 ASN cc_start: 0.8533 (OUTLIER) cc_final: 0.8114 (p0) REVERT: S 338 GLU cc_start: 0.7608 (OUTLIER) cc_final: 0.6583 (mp0) REVERT: T 80 MET cc_start: 0.9255 (OUTLIER) cc_final: 0.8738 (ptt) REVERT: T 88 MET cc_start: 0.9095 (mmm) cc_final: 0.8780 (mmm) REVERT: T 112 MET cc_start: 0.8702 (ppp) cc_final: 0.8366 (tmm) REVERT: T 236 ASN cc_start: 0.8599 (OUTLIER) cc_final: 0.8181 (p0) REVERT: U 317 ASN cc_start: 0.8541 (OUTLIER) cc_final: 0.8152 (p0) REVERT: U 338 GLU cc_start: 0.7662 (OUTLIER) cc_final: 0.6594 (mp0) REVERT: V 80 MET cc_start: 0.9257 (OUTLIER) cc_final: 0.8744 (ptt) REVERT: V 239 VAL cc_start: 0.9143 (OUTLIER) cc_final: 0.8849 (m) REVERT: W 61 ARG cc_start: 0.8106 (OUTLIER) cc_final: 0.7770 (mtt90) REVERT: W 73 ARG cc_start: 0.9013 (OUTLIER) cc_final: 0.8158 (mtm180) REVERT: W 80 MET cc_start: 0.8774 (OUTLIER) cc_final: 0.8130 (ptt) REVERT: W 92 CYS cc_start: 0.8243 (OUTLIER) cc_final: 0.8001 (p) REVERT: W 112 MET cc_start: 0.8513 (OUTLIER) cc_final: 0.8253 (tmt) REVERT: W 284 GLN cc_start: 0.8586 (OUTLIER) cc_final: 0.7914 (mp10) REVERT: W 318 LEU cc_start: 0.9372 (OUTLIER) cc_final: 0.9138 (mt) REVERT: W 322 ASN cc_start: 0.8506 (p0) cc_final: 0.8279 (p0) REVERT: X 61 ARG cc_start: 0.8072 (OUTLIER) cc_final: 0.7552 (ttm110) REVERT: X 80 MET cc_start: 0.9230 (OUTLIER) cc_final: 0.8859 (ptt) REVERT: X 284 GLN cc_start: 0.8539 (OUTLIER) cc_final: 0.7932 (mp10) REVERT: Y 61 ARG cc_start: 0.8106 (OUTLIER) cc_final: 0.7782 (mtt90) REVERT: Y 80 MET cc_start: 0.8775 (OUTLIER) cc_final: 0.8130 (ptt) REVERT: Y 92 CYS cc_start: 0.8238 (OUTLIER) cc_final: 0.7991 (p) REVERT: Y 112 MET cc_start: 0.8512 (OUTLIER) cc_final: 0.8255 (tmt) REVERT: Y 123 LYS cc_start: 0.8360 (OUTLIER) cc_final: 0.7797 (tptm) REVERT: Y 284 GLN cc_start: 0.8590 (OUTLIER) cc_final: 0.7939 (mp10) REVERT: Z 80 MET cc_start: 0.9232 (OUTLIER) cc_final: 0.8862 (ptt) REVERT: Z 284 GLN cc_start: 0.8542 (OUTLIER) cc_final: 0.7925 (mp10) REVERT: 8 61 ARG cc_start: 0.8078 (OUTLIER) cc_final: 0.7000 (mtm180) REVERT: 8 80 MET cc_start: 0.9155 (OUTLIER) cc_final: 0.8460 (pmt) REVERT: 8 284 GLN cc_start: 0.8526 (OUTLIER) cc_final: 0.8118 (mp10) REVERT: 7 61 ARG cc_start: 0.8071 (OUTLIER) cc_final: 0.6975 (mtm180) REVERT: 7 284 GLN cc_start: 0.8521 (OUTLIER) cc_final: 0.8101 (mp10) REVERT: 6 80 MET cc_start: 0.9163 (OUTLIER) cc_final: 0.8958 (pmt) REVERT: 6 284 GLN cc_start: 0.8519 (OUTLIER) cc_final: 0.8112 (mp10) REVERT: 5 61 ARG cc_start: 0.8080 (OUTLIER) cc_final: 0.6965 (mtm180) REVERT: 5 284 GLN cc_start: 0.8450 (OUTLIER) cc_final: 0.8021 (mp10) REVERT: 4 284 GLN cc_start: 0.8535 (OUTLIER) cc_final: 0.8133 (mp10) REVERT: 3 80 MET cc_start: 0.9172 (OUTLIER) cc_final: 0.8457 (pmt) REVERT: 3 284 GLN cc_start: 0.8519 (OUTLIER) cc_final: 0.8117 (mp10) REVERT: a 80 MET cc_start: 0.9255 (OUTLIER) cc_final: 0.8731 (ptt) REVERT: a 88 MET cc_start: 0.9088 (mmm) cc_final: 0.8778 (mmm) REVERT: a 112 MET cc_start: 0.8729 (ppp) cc_final: 0.8420 (tmm) REVERT: b 61 ARG cc_start: 0.8065 (OUTLIER) cc_final: 0.7547 (ttm110) REVERT: b 80 MET cc_start: 0.9235 (OUTLIER) cc_final: 0.8867 (ptt) REVERT: b 284 GLN cc_start: 0.8522 (OUTLIER) cc_final: 0.7898 (mp10) REVERT: c 61 ARG cc_start: 0.8141 (OUTLIER) cc_final: 0.7832 (mtt90) REVERT: c 80 MET cc_start: 0.8774 (OUTLIER) cc_final: 0.8121 (ptt) REVERT: c 92 CYS cc_start: 0.8267 (OUTLIER) cc_final: 0.8032 (p) REVERT: c 112 MET cc_start: 0.8518 (OUTLIER) cc_final: 0.8254 (tmt) REVERT: c 123 LYS cc_start: 0.8360 (OUTLIER) cc_final: 0.7780 (tptm) REVERT: c 284 GLN cc_start: 0.8589 (OUTLIER) cc_final: 0.7918 (mp10) REVERT: d 61 ARG cc_start: 0.8107 (OUTLIER) cc_final: 0.7780 (mtt90) REVERT: d 80 MET cc_start: 0.8847 (OUTLIER) cc_final: 0.8179 (ptt) REVERT: d 92 CYS cc_start: 0.8270 (OUTLIER) cc_final: 0.8040 (p) REVERT: d 112 MET cc_start: 0.8509 (OUTLIER) cc_final: 0.8253 (tmt) REVERT: d 123 LYS cc_start: 0.8365 (OUTLIER) cc_final: 0.7799 (tptm) REVERT: d 284 GLN cc_start: 0.8596 (OUTLIER) cc_final: 0.7937 (mp10) REVERT: d 322 ASN cc_start: 0.8510 (p0) cc_final: 0.8280 (p0) REVERT: e 61 ARG cc_start: 0.8138 (OUTLIER) cc_final: 0.7822 (mtt90) REVERT: e 80 MET cc_start: 0.8835 (OUTLIER) cc_final: 0.8180 (ptt) REVERT: e 92 CYS cc_start: 0.8271 (OUTLIER) cc_final: 0.8038 (p) REVERT: e 112 MET cc_start: 0.8507 (OUTLIER) cc_final: 0.8249 (tmt) REVERT: e 284 GLN cc_start: 0.8592 (OUTLIER) cc_final: 0.7918 (mp10) REVERT: f 80 MET cc_start: 0.9222 (OUTLIER) cc_final: 0.8845 (ptt) REVERT: f 284 GLN cc_start: 0.8536 (OUTLIER) cc_final: 0.7934 (mp10) REVERT: g 80 MET cc_start: 0.9258 (OUTLIER) cc_final: 0.8743 (ptt) REVERT: g 88 MET cc_start: 0.9094 (mmm) cc_final: 0.8778 (mmm) REVERT: g 112 MET cc_start: 0.8704 (ppp) cc_final: 0.8373 (tmm) REVERT: h 61 ARG cc_start: 0.8075 (OUTLIER) cc_final: 0.6992 (mtm180) REVERT: h 284 GLN cc_start: 0.8505 (OUTLIER) cc_final: 0.8087 (mp10) REVERT: i 61 ARG cc_start: 0.8067 (OUTLIER) cc_final: 0.7549 (ttm110) REVERT: i 284 GLN cc_start: 0.8524 (OUTLIER) cc_final: 0.7915 (mp10) REVERT: j 80 MET cc_start: 0.9257 (OUTLIER) cc_final: 0.8745 (ptt) REVERT: j 239 VAL cc_start: 0.9146 (OUTLIER) cc_final: 0.8854 (m) REVERT: k 317 ASN cc_start: 0.8541 (OUTLIER) cc_final: 0.8142 (p0) REVERT: k 338 GLU cc_start: 0.7657 (OUTLIER) cc_final: 0.6588 (mp0) REVERT: l 317 ASN cc_start: 0.8538 (OUTLIER) cc_final: 0.8148 (p0) REVERT: l 338 GLU cc_start: 0.7657 (OUTLIER) cc_final: 0.6627 (mp0) REVERT: m 317 ASN cc_start: 0.8557 (OUTLIER) cc_final: 0.8148 (p0) REVERT: m 338 GLU cc_start: 0.7661 (OUTLIER) cc_final: 0.6589 (mp0) REVERT: n 61 ARG cc_start: 0.8068 (OUTLIER) cc_final: 0.7557 (ttm110) REVERT: n 284 GLN cc_start: 0.8503 (OUTLIER) cc_final: 0.7896 (mp10) REVERT: o 207 LYS cc_start: 0.8761 (OUTLIER) cc_final: 0.8390 (mtpp) REVERT: o 239 VAL cc_start: 0.9188 (OUTLIER) cc_final: 0.8912 (m) REVERT: p 61 ARG cc_start: 0.8079 (OUTLIER) cc_final: 0.6957 (mtm180) REVERT: p 284 GLN cc_start: 0.8477 (OUTLIER) cc_final: 0.8041 (mp10) REVERT: q 61 ARG cc_start: 0.8075 (OUTLIER) cc_final: 0.7563 (ttm110) REVERT: q 80 MET cc_start: 0.9239 (OUTLIER) cc_final: 0.8868 (ptt) REVERT: q 284 GLN cc_start: 0.8527 (OUTLIER) cc_final: 0.7926 (mp10) REVERT: r 80 MET cc_start: 0.9261 (ptt) cc_final: 0.8779 (ptt) REVERT: r 183 MET cc_start: 0.9237 (OUTLIER) cc_final: 0.9037 (ttp) REVERT: r 207 LYS cc_start: 0.8758 (OUTLIER) cc_final: 0.8387 (mtpp) REVERT: r 239 VAL cc_start: 0.9193 (OUTLIER) cc_final: 0.8913 (m) REVERT: s 284 GLN cc_start: 0.8511 (OUTLIER) cc_final: 0.8102 (mp10) REVERT: t 338 GLU cc_start: 0.7660 (OUTLIER) cc_final: 0.6589 (mp0) REVERT: u 317 ASN cc_start: 0.8535 (OUTLIER) cc_final: 0.8136 (p0) REVERT: u 338 GLU cc_start: 0.7659 (OUTLIER) cc_final: 0.6584 (mp0) REVERT: v 338 GLU cc_start: 0.7608 (OUTLIER) cc_final: 0.6581 (mp0) REVERT: w 61 ARG cc_start: 0.8080 (OUTLIER) cc_final: 0.6999 (mtm180) REVERT: w 284 GLN cc_start: 0.8520 (OUTLIER) cc_final: 0.8112 (mp10) REVERT: w 345 GLN cc_start: 0.8398 (mt0) cc_final: 0.8197 (mt0) REVERT: x 80 MET cc_start: 0.9256 (OUTLIER) cc_final: 0.8737 (ptt) REVERT: x 88 MET cc_start: 0.9092 (mmm) cc_final: 0.8779 (mmm) REVERT: x 112 MET cc_start: 0.8705 (ppp) cc_final: 0.8371 (tmm) REVERT: x 236 ASN cc_start: 0.8602 (OUTLIER) cc_final: 0.8183 (p0) REVERT: y 61 ARG cc_start: 0.8106 (OUTLIER) cc_final: 0.7783 (mtt90) REVERT: y 80 MET cc_start: 0.8840 (OUTLIER) cc_final: 0.8197 (ptt) REVERT: y 92 CYS cc_start: 0.8252 (OUTLIER) cc_final: 0.8040 (p) REVERT: y 110 TYR cc_start: 0.8440 (t80) cc_final: 0.8229 (t80) REVERT: y 112 MET cc_start: 0.8516 (OUTLIER) cc_final: 0.8266 (tmt) REVERT: y 123 LYS cc_start: 0.8398 (OUTLIER) cc_final: 0.7824 (tptm) REVERT: y 233 ASP cc_start: 0.8030 (t70) cc_final: 0.7456 (t70) REVERT: y 284 GLN cc_start: 0.8598 (OUTLIER) cc_final: 0.7936 (mp10) REVERT: y 322 ASN cc_start: 0.8506 (p0) cc_final: 0.8284 (p0) REVERT: z 61 ARG cc_start: 0.8138 (OUTLIER) cc_final: 0.7825 (mtt90) REVERT: z 80 MET cc_start: 0.8834 (OUTLIER) cc_final: 0.8177 (ptt) REVERT: z 92 CYS cc_start: 0.8278 (OUTLIER) cc_final: 0.8040 (p) REVERT: z 112 MET cc_start: 0.8513 (OUTLIER) cc_final: 0.8250 (tmt) REVERT: z 123 LYS cc_start: 0.8360 (OUTLIER) cc_final: 0.7787 (tptm) REVERT: z 284 GLN cc_start: 0.8593 (OUTLIER) cc_final: 0.7922 (mp10) REVERT: 1 61 ARG cc_start: 0.8101 (OUTLIER) cc_final: 0.7786 (mtt90) REVERT: 1 80 MET cc_start: 0.8839 (OUTLIER) cc_final: 0.8174 (ptt) REVERT: 1 92 CYS cc_start: 0.8277 (OUTLIER) cc_final: 0.8044 (p) REVERT: 1 112 MET cc_start: 0.8514 (OUTLIER) cc_final: 0.8257 (tmt) REVERT: 1 123 LYS cc_start: 0.8354 (OUTLIER) cc_final: 0.7789 (tptm) REVERT: 1 284 GLN cc_start: 0.8590 (OUTLIER) cc_final: 0.7919 (mp10) REVERT: 2 284 GLN cc_start: 0.8540 (OUTLIER) cc_final: 0.7922 (mp10) outliers start: 1130 outliers final: 702 residues processed: 3144 average time/residue: 1.7280 time to fit residues: 8164.1491 Evaluate side-chains 3172 residues out of total 17520 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 863 poor density : 2309 time to evaluate : 11.520 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 50 THR Chi-restraints excluded: chain A residue 61 ARG Chi-restraints excluded: chain A residue 80 MET Chi-restraints excluded: chain A residue 87 VAL Chi-restraints excluded: chain A residue 112 MET Chi-restraints excluded: chain A residue 129 SER Chi-restraints excluded: chain A residue 176 THR Chi-restraints excluded: chain A residue 182 SER Chi-restraints excluded: chain A residue 191 SER Chi-restraints excluded: chain A residue 239 VAL Chi-restraints excluded: chain A residue 258 ILE Chi-restraints excluded: chain A residue 259 ASN Chi-restraints excluded: chain A residue 260 VAL Chi-restraints excluded: chain A residue 284 GLN Chi-restraints excluded: chain A residue 292 THR Chi-restraints excluded: chain A residue 313 SER Chi-restraints excluded: chain A residue 317 ASN Chi-restraints excluded: chain A residue 340 LYS Chi-restraints excluded: chain B residue 57 MET Chi-restraints excluded: chain B residue 61 ARG Chi-restraints excluded: chain B residue 105 VAL Chi-restraints excluded: chain B residue 124 VAL Chi-restraints excluded: chain B residue 129 SER Chi-restraints excluded: chain B residue 147 THR Chi-restraints excluded: chain B residue 176 THR Chi-restraints excluded: chain B residue 191 SER Chi-restraints excluded: chain B residue 239 VAL Chi-restraints excluded: chain B residue 254 THR Chi-restraints excluded: chain B residue 259 ASN Chi-restraints excluded: chain B residue 260 VAL Chi-restraints excluded: chain B residue 284 GLN Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 317 ASN Chi-restraints excluded: chain B residue 338 GLU Chi-restraints excluded: chain B residue 350 CYS Chi-restraints excluded: chain C residue 80 MET Chi-restraints excluded: chain C residue 176 THR Chi-restraints excluded: chain C residue 191 SER Chi-restraints excluded: chain C residue 239 VAL Chi-restraints excluded: chain C residue 243 ASN Chi-restraints excluded: chain C residue 260 VAL Chi-restraints excluded: chain C residue 314 VAL Chi-restraints excluded: chain C residue 317 ASN Chi-restraints excluded: chain C residue 350 CYS Chi-restraints excluded: chain D residue 57 MET Chi-restraints excluded: chain D residue 61 ARG Chi-restraints excluded: chain D residue 92 CYS Chi-restraints excluded: chain D residue 112 MET Chi-restraints excluded: chain D residue 123 LYS Chi-restraints excluded: chain D residue 124 VAL Chi-restraints excluded: chain D residue 129 SER Chi-restraints excluded: chain D residue 167 LEU Chi-restraints excluded: chain D residue 182 SER Chi-restraints excluded: chain D residue 191 SER Chi-restraints excluded: chain D residue 239 VAL Chi-restraints excluded: chain D residue 260 VAL Chi-restraints excluded: chain D residue 284 GLN Chi-restraints excluded: chain D residue 317 ASN Chi-restraints excluded: chain E residue 61 ARG Chi-restraints excluded: chain E residue 80 MET Chi-restraints excluded: chain E residue 112 MET Chi-restraints excluded: chain E residue 116 CYS Chi-restraints excluded: chain E residue 124 VAL Chi-restraints excluded: chain E residue 182 SER Chi-restraints excluded: chain E residue 186 LEU Chi-restraints excluded: chain E residue 191 SER Chi-restraints excluded: chain E residue 207 LYS Chi-restraints excluded: chain E residue 239 VAL Chi-restraints excluded: chain E residue 260 VAL Chi-restraints excluded: chain E residue 284 GLN Chi-restraints excluded: chain E residue 313 SER Chi-restraints excluded: chain E residue 353 VAL Chi-restraints excluded: chain F residue 50 THR Chi-restraints excluded: chain F residue 61 ARG Chi-restraints excluded: chain F residue 80 MET Chi-restraints excluded: chain F residue 87 VAL Chi-restraints excluded: chain F residue 112 MET Chi-restraints excluded: chain F residue 129 SER Chi-restraints excluded: chain F residue 135 SER Chi-restraints excluded: chain F residue 147 THR Chi-restraints excluded: chain F residue 176 THR Chi-restraints excluded: chain F residue 239 VAL Chi-restraints excluded: chain F residue 258 ILE Chi-restraints excluded: chain F residue 259 ASN Chi-restraints excluded: chain F residue 260 VAL Chi-restraints excluded: chain F residue 284 GLN Chi-restraints excluded: chain F residue 292 THR Chi-restraints excluded: chain F residue 313 SER Chi-restraints excluded: chain F residue 317 ASN Chi-restraints excluded: chain F residue 340 LYS Chi-restraints excluded: chain G residue 61 ARG Chi-restraints excluded: chain G residue 112 MET Chi-restraints excluded: chain G residue 116 CYS Chi-restraints excluded: chain G residue 124 VAL Chi-restraints excluded: chain G residue 182 SER Chi-restraints excluded: chain G residue 186 LEU Chi-restraints excluded: chain G residue 207 LYS Chi-restraints excluded: chain G residue 239 VAL Chi-restraints excluded: chain G residue 260 VAL Chi-restraints excluded: chain G residue 284 GLN Chi-restraints excluded: chain G residue 313 SER Chi-restraints excluded: chain G residue 353 VAL Chi-restraints excluded: chain H residue 57 MET Chi-restraints excluded: chain H residue 61 ARG Chi-restraints excluded: chain H residue 80 MET Chi-restraints excluded: chain H residue 92 CYS Chi-restraints excluded: chain H residue 112 MET Chi-restraints excluded: chain H residue 123 LYS Chi-restraints excluded: chain H residue 124 VAL Chi-restraints excluded: chain H residue 129 SER Chi-restraints excluded: chain H residue 182 SER Chi-restraints excluded: chain H residue 191 SER Chi-restraints excluded: chain H residue 207 LYS Chi-restraints excluded: chain H residue 239 VAL Chi-restraints excluded: chain H residue 259 ASN Chi-restraints excluded: chain H residue 260 VAL Chi-restraints excluded: chain H residue 284 GLN Chi-restraints excluded: chain H residue 317 ASN Chi-restraints excluded: chain H residue 350 CYS Chi-restraints excluded: chain I residue 176 THR Chi-restraints excluded: chain I residue 191 SER Chi-restraints excluded: chain I residue 207 LYS Chi-restraints excluded: chain I residue 232 SER Chi-restraints excluded: chain I residue 239 VAL Chi-restraints excluded: chain I residue 243 ASN Chi-restraints excluded: chain I residue 260 VAL Chi-restraints excluded: chain I residue 314 VAL Chi-restraints excluded: chain I residue 317 ASN Chi-restraints excluded: chain I residue 350 CYS Chi-restraints excluded: chain J residue 57 MET Chi-restraints excluded: chain J residue 61 ARG Chi-restraints excluded: chain J residue 105 VAL Chi-restraints excluded: chain J residue 123 LYS Chi-restraints excluded: chain J residue 124 VAL Chi-restraints excluded: chain J residue 129 SER Chi-restraints excluded: chain J residue 147 THR Chi-restraints excluded: chain J residue 176 THR Chi-restraints excluded: chain J residue 191 SER Chi-restraints excluded: chain J residue 239 VAL Chi-restraints excluded: chain J residue 259 ASN Chi-restraints excluded: chain J residue 260 VAL Chi-restraints excluded: chain J residue 284 GLN Chi-restraints excluded: chain J residue 313 SER Chi-restraints excluded: chain J residue 338 GLU Chi-restraints excluded: chain J residue 350 CYS Chi-restraints excluded: chain K residue 80 MET Chi-restraints excluded: chain K residue 176 THR Chi-restraints excluded: chain K residue 191 SER Chi-restraints excluded: chain K residue 232 SER Chi-restraints excluded: chain K residue 239 VAL Chi-restraints excluded: chain K residue 243 ASN Chi-restraints excluded: chain K residue 260 VAL Chi-restraints excluded: chain K residue 314 VAL Chi-restraints excluded: chain K residue 317 ASN Chi-restraints excluded: chain L residue 57 MET Chi-restraints excluded: chain L residue 61 ARG Chi-restraints excluded: chain L residue 105 VAL Chi-restraints excluded: chain L residue 124 VAL Chi-restraints excluded: chain L residue 129 SER Chi-restraints excluded: chain L residue 147 THR Chi-restraints excluded: chain L residue 176 THR Chi-restraints excluded: chain L residue 239 VAL Chi-restraints excluded: chain L residue 259 ASN Chi-restraints excluded: chain L residue 260 VAL Chi-restraints excluded: chain L residue 284 GLN Chi-restraints excluded: chain L residue 317 ASN Chi-restraints excluded: chain L residue 338 GLU Chi-restraints excluded: chain L residue 350 CYS Chi-restraints excluded: chain M residue 61 ARG Chi-restraints excluded: chain M residue 80 MET Chi-restraints excluded: chain M residue 112 MET Chi-restraints excluded: chain M residue 116 CYS Chi-restraints excluded: chain M residue 124 VAL Chi-restraints excluded: chain M residue 182 SER Chi-restraints excluded: chain M residue 186 LEU Chi-restraints excluded: chain M residue 207 LYS Chi-restraints excluded: chain M residue 239 VAL Chi-restraints excluded: chain M residue 260 VAL Chi-restraints excluded: chain M residue 284 GLN Chi-restraints excluded: chain M residue 318 LEU Chi-restraints excluded: chain M residue 353 VAL Chi-restraints excluded: chain N residue 57 MET Chi-restraints excluded: chain N residue 61 ARG Chi-restraints excluded: chain N residue 80 MET Chi-restraints excluded: chain N residue 92 CYS Chi-restraints excluded: chain N residue 112 MET Chi-restraints excluded: chain N residue 123 LYS Chi-restraints excluded: chain N residue 124 VAL Chi-restraints excluded: chain N residue 129 SER Chi-restraints excluded: chain N residue 167 LEU Chi-restraints excluded: chain N residue 191 SER Chi-restraints excluded: chain N residue 239 VAL Chi-restraints excluded: chain N residue 259 ASN Chi-restraints excluded: chain N residue 260 VAL Chi-restraints excluded: chain N residue 284 GLN Chi-restraints excluded: chain N residue 317 ASN Chi-restraints excluded: chain N residue 318 LEU Chi-restraints excluded: chain N residue 350 CYS Chi-restraints excluded: chain O residue 112 MET Chi-restraints excluded: chain O residue 116 CYS Chi-restraints excluded: chain O residue 124 VAL Chi-restraints excluded: chain O residue 182 SER Chi-restraints excluded: chain O residue 186 LEU Chi-restraints excluded: chain O residue 207 LYS Chi-restraints excluded: chain O residue 239 VAL Chi-restraints excluded: chain O residue 260 VAL Chi-restraints excluded: chain O residue 284 GLN Chi-restraints excluded: chain O residue 318 LEU Chi-restraints excluded: chain O residue 353 VAL Chi-restraints excluded: chain P residue 57 MET Chi-restraints excluded: chain P residue 61 ARG Chi-restraints excluded: chain P residue 80 MET Chi-restraints excluded: chain P residue 92 CYS Chi-restraints excluded: chain P residue 112 MET Chi-restraints excluded: chain P residue 123 LYS Chi-restraints excluded: chain P residue 124 VAL Chi-restraints excluded: chain P residue 129 SER Chi-restraints excluded: chain P residue 182 SER Chi-restraints excluded: chain P residue 191 SER Chi-restraints excluded: chain P residue 239 VAL Chi-restraints excluded: chain P residue 260 VAL Chi-restraints excluded: chain P residue 284 GLN Chi-restraints excluded: chain P residue 350 CYS Chi-restraints excluded: chain Q residue 176 THR Chi-restraints excluded: chain Q residue 191 SER Chi-restraints excluded: chain Q residue 207 LYS Chi-restraints excluded: chain Q residue 232 SER Chi-restraints excluded: chain Q residue 239 VAL Chi-restraints excluded: chain Q residue 243 ASN Chi-restraints excluded: chain Q residue 260 VAL Chi-restraints excluded: chain Q residue 314 VAL Chi-restraints excluded: chain Q residue 317 ASN Chi-restraints excluded: chain Q residue 350 CYS Chi-restraints excluded: chain R residue 57 MET Chi-restraints excluded: chain R residue 61 ARG Chi-restraints excluded: chain R residue 105 VAL Chi-restraints excluded: chain R residue 124 VAL Chi-restraints excluded: chain R residue 129 SER Chi-restraints excluded: chain R residue 147 THR Chi-restraints excluded: chain R residue 176 THR Chi-restraints excluded: chain R residue 191 SER Chi-restraints excluded: chain R residue 239 VAL Chi-restraints excluded: chain R residue 254 THR Chi-restraints excluded: chain R residue 259 ASN Chi-restraints excluded: chain R residue 260 VAL Chi-restraints excluded: chain R residue 281 ASN Chi-restraints excluded: chain R residue 284 GLN Chi-restraints excluded: chain R residue 313 SER Chi-restraints excluded: chain R residue 317 ASN Chi-restraints excluded: chain R residue 338 GLU Chi-restraints excluded: chain R residue 350 CYS Chi-restraints excluded: chain S residue 57 MET Chi-restraints excluded: chain S residue 61 ARG Chi-restraints excluded: chain S residue 105 VAL Chi-restraints excluded: chain S residue 124 VAL Chi-restraints excluded: chain S residue 129 SER Chi-restraints excluded: chain S residue 147 THR Chi-restraints excluded: chain S residue 176 THR Chi-restraints excluded: chain S residue 191 SER Chi-restraints excluded: chain S residue 236 ASN Chi-restraints excluded: chain S residue 239 VAL Chi-restraints excluded: chain S residue 259 ASN Chi-restraints excluded: chain S residue 260 VAL Chi-restraints excluded: chain S residue 284 GLN Chi-restraints excluded: chain S residue 313 SER Chi-restraints excluded: chain S residue 317 ASN Chi-restraints excluded: chain S residue 338 GLU Chi-restraints excluded: chain S residue 350 CYS Chi-restraints excluded: chain T residue 80 MET Chi-restraints excluded: chain T residue 176 THR Chi-restraints excluded: chain T residue 191 SER Chi-restraints excluded: chain T residue 232 SER Chi-restraints excluded: chain T residue 236 ASN Chi-restraints excluded: chain T residue 239 VAL Chi-restraints excluded: chain T residue 243 ASN Chi-restraints excluded: chain T residue 260 VAL Chi-restraints excluded: chain T residue 314 VAL Chi-restraints excluded: chain T residue 317 ASN Chi-restraints excluded: chain U residue 57 MET Chi-restraints excluded: chain U residue 61 ARG Chi-restraints excluded: chain U residue 105 VAL Chi-restraints excluded: chain U residue 123 LYS Chi-restraints excluded: chain U residue 124 VAL Chi-restraints excluded: chain U residue 129 SER Chi-restraints excluded: chain U residue 147 THR Chi-restraints excluded: chain U residue 176 THR Chi-restraints excluded: chain U residue 191 SER Chi-restraints excluded: chain U residue 239 VAL Chi-restraints excluded: chain U residue 259 ASN Chi-restraints excluded: chain U residue 260 VAL Chi-restraints excluded: chain U residue 284 GLN Chi-restraints excluded: chain U residue 313 SER Chi-restraints excluded: chain U residue 317 ASN Chi-restraints excluded: chain U residue 338 GLU Chi-restraints excluded: chain U residue 350 CYS Chi-restraints excluded: chain V residue 80 MET Chi-restraints excluded: chain V residue 176 THR Chi-restraints excluded: chain V residue 191 SER Chi-restraints excluded: chain V residue 239 VAL Chi-restraints excluded: chain V residue 243 ASN Chi-restraints excluded: chain V residue 260 VAL Chi-restraints excluded: chain V residue 314 VAL Chi-restraints excluded: chain V residue 317 ASN Chi-restraints excluded: chain V residue 350 CYS Chi-restraints excluded: chain W residue 57 MET Chi-restraints excluded: chain W residue 61 ARG Chi-restraints excluded: chain W residue 73 ARG Chi-restraints excluded: chain W residue 80 MET Chi-restraints excluded: chain W residue 92 CYS Chi-restraints excluded: chain W residue 112 MET Chi-restraints excluded: chain W residue 124 VAL Chi-restraints excluded: chain W residue 129 SER Chi-restraints excluded: chain W residue 167 LEU Chi-restraints excluded: chain W residue 182 SER Chi-restraints excluded: chain W residue 191 SER Chi-restraints excluded: chain W residue 239 VAL Chi-restraints excluded: chain W residue 259 ASN Chi-restraints excluded: chain W residue 260 VAL Chi-restraints excluded: chain W residue 284 GLN Chi-restraints excluded: chain W residue 317 ASN Chi-restraints excluded: chain W residue 318 LEU Chi-restraints excluded: chain W residue 350 CYS Chi-restraints excluded: chain X residue 61 ARG Chi-restraints excluded: chain X residue 80 MET Chi-restraints excluded: chain X residue 112 MET Chi-restraints excluded: chain X residue 116 CYS Chi-restraints excluded: chain X residue 124 VAL Chi-restraints excluded: chain X residue 147 THR Chi-restraints excluded: chain X residue 182 SER Chi-restraints excluded: chain X residue 186 LEU Chi-restraints excluded: chain X residue 207 LYS Chi-restraints excluded: chain X residue 239 VAL Chi-restraints excluded: chain X residue 260 VAL Chi-restraints excluded: chain X residue 284 GLN Chi-restraints excluded: chain X residue 318 LEU Chi-restraints excluded: chain X residue 353 VAL Chi-restraints excluded: chain Y residue 57 MET Chi-restraints excluded: chain Y residue 61 ARG Chi-restraints excluded: chain Y residue 80 MET Chi-restraints excluded: chain Y residue 92 CYS Chi-restraints excluded: chain Y residue 112 MET Chi-restraints excluded: chain Y residue 123 LYS Chi-restraints excluded: chain Y residue 124 VAL Chi-restraints excluded: chain Y residue 129 SER Chi-restraints excluded: chain Y residue 182 SER Chi-restraints excluded: chain Y residue 191 SER Chi-restraints excluded: chain Y residue 239 VAL Chi-restraints excluded: chain Y residue 259 ASN Chi-restraints excluded: chain Y residue 260 VAL Chi-restraints excluded: chain Y residue 284 GLN Chi-restraints excluded: chain Y residue 317 ASN Chi-restraints excluded: chain Y residue 350 CYS Chi-restraints excluded: chain Z residue 80 MET Chi-restraints excluded: chain Z residue 112 MET Chi-restraints excluded: chain Z residue 116 CYS Chi-restraints excluded: chain Z residue 124 VAL Chi-restraints excluded: chain Z residue 147 THR Chi-restraints excluded: chain Z residue 182 SER Chi-restraints excluded: chain Z residue 186 LEU Chi-restraints excluded: chain Z residue 207 LYS Chi-restraints excluded: chain Z residue 239 VAL Chi-restraints excluded: chain Z residue 260 VAL Chi-restraints excluded: chain Z residue 284 GLN Chi-restraints excluded: chain Z residue 318 LEU Chi-restraints excluded: chain Z residue 353 VAL Chi-restraints excluded: chain 8 residue 50 THR Chi-restraints excluded: chain 8 residue 61 ARG Chi-restraints excluded: chain 8 residue 80 MET Chi-restraints excluded: chain 8 residue 87 VAL Chi-restraints excluded: chain 8 residue 112 MET Chi-restraints excluded: chain 8 residue 129 SER Chi-restraints excluded: chain 8 residue 135 SER Chi-restraints excluded: chain 8 residue 176 THR Chi-restraints excluded: chain 8 residue 232 SER Chi-restraints excluded: chain 8 residue 239 VAL Chi-restraints excluded: chain 8 residue 258 ILE Chi-restraints excluded: chain 8 residue 260 VAL Chi-restraints excluded: chain 8 residue 284 GLN Chi-restraints excluded: chain 8 residue 292 THR Chi-restraints excluded: chain 8 residue 313 SER Chi-restraints excluded: chain 8 residue 317 ASN Chi-restraints excluded: chain 8 residue 340 LYS Chi-restraints excluded: chain 7 residue 50 THR Chi-restraints excluded: chain 7 residue 61 ARG Chi-restraints excluded: chain 7 residue 87 VAL Chi-restraints excluded: chain 7 residue 112 MET Chi-restraints excluded: chain 7 residue 129 SER Chi-restraints excluded: chain 7 residue 147 THR Chi-restraints excluded: chain 7 residue 176 THR Chi-restraints excluded: chain 7 residue 182 SER Chi-restraints excluded: chain 7 residue 232 SER Chi-restraints excluded: chain 7 residue 239 VAL Chi-restraints excluded: chain 7 residue 258 ILE Chi-restraints excluded: chain 7 residue 260 VAL Chi-restraints excluded: chain 7 residue 284 GLN Chi-restraints excluded: chain 7 residue 292 THR Chi-restraints excluded: chain 7 residue 313 SER Chi-restraints excluded: chain 7 residue 317 ASN Chi-restraints excluded: chain 6 residue 61 ARG Chi-restraints excluded: chain 6 residue 80 MET Chi-restraints excluded: chain 6 residue 87 VAL Chi-restraints excluded: chain 6 residue 112 MET Chi-restraints excluded: chain 6 residue 129 SER Chi-restraints excluded: chain 6 residue 135 SER Chi-restraints excluded: chain 6 residue 176 THR Chi-restraints excluded: chain 6 residue 182 SER Chi-restraints excluded: chain 6 residue 239 VAL Chi-restraints excluded: chain 6 residue 258 ILE Chi-restraints excluded: chain 6 residue 259 ASN Chi-restraints excluded: chain 6 residue 260 VAL Chi-restraints excluded: chain 6 residue 284 GLN Chi-restraints excluded: chain 6 residue 292 THR Chi-restraints excluded: chain 6 residue 313 SER Chi-restraints excluded: chain 6 residue 340 LYS Chi-restraints excluded: chain 5 residue 50 THR Chi-restraints excluded: chain 5 residue 57 MET Chi-restraints excluded: chain 5 residue 61 ARG Chi-restraints excluded: chain 5 residue 87 VAL Chi-restraints excluded: chain 5 residue 112 MET Chi-restraints excluded: chain 5 residue 129 SER Chi-restraints excluded: chain 5 residue 135 SER Chi-restraints excluded: chain 5 residue 176 THR Chi-restraints excluded: chain 5 residue 191 SER Chi-restraints excluded: chain 5 residue 232 SER Chi-restraints excluded: chain 5 residue 239 VAL Chi-restraints excluded: chain 5 residue 258 ILE Chi-restraints excluded: chain 5 residue 260 VAL Chi-restraints excluded: chain 5 residue 284 GLN Chi-restraints excluded: chain 5 residue 292 THR Chi-restraints excluded: chain 5 residue 313 SER Chi-restraints excluded: chain 5 residue 317 ASN Chi-restraints excluded: chain 5 residue 340 LYS Chi-restraints excluded: chain 4 residue 61 ARG Chi-restraints excluded: chain 4 residue 80 MET Chi-restraints excluded: chain 4 residue 87 VAL Chi-restraints excluded: chain 4 residue 112 MET Chi-restraints excluded: chain 4 residue 129 SER Chi-restraints excluded: chain 4 residue 135 SER Chi-restraints excluded: chain 4 residue 176 THR Chi-restraints excluded: chain 4 residue 191 SER Chi-restraints excluded: chain 4 residue 232 SER Chi-restraints excluded: chain 4 residue 239 VAL Chi-restraints excluded: chain 4 residue 258 ILE Chi-restraints excluded: chain 4 residue 259 ASN Chi-restraints excluded: chain 4 residue 260 VAL Chi-restraints excluded: chain 4 residue 284 GLN Chi-restraints excluded: chain 4 residue 292 THR Chi-restraints excluded: chain 4 residue 313 SER Chi-restraints excluded: chain 4 residue 317 ASN Chi-restraints excluded: chain 4 residue 340 LYS Chi-restraints excluded: chain 3 residue 50 THR Chi-restraints excluded: chain 3 residue 61 ARG Chi-restraints excluded: chain 3 residue 80 MET Chi-restraints excluded: chain 3 residue 87 VAL Chi-restraints excluded: chain 3 residue 112 MET Chi-restraints excluded: chain 3 residue 129 SER Chi-restraints excluded: chain 3 residue 135 SER Chi-restraints excluded: chain 3 residue 147 THR Chi-restraints excluded: chain 3 residue 176 THR Chi-restraints excluded: chain 3 residue 239 VAL Chi-restraints excluded: chain 3 residue 258 ILE Chi-restraints excluded: chain 3 residue 259 ASN Chi-restraints excluded: chain 3 residue 260 VAL Chi-restraints excluded: chain 3 residue 284 GLN Chi-restraints excluded: chain 3 residue 292 THR Chi-restraints excluded: chain 3 residue 313 SER Chi-restraints excluded: chain 3 residue 317 ASN Chi-restraints excluded: chain 3 residue 340 LYS Chi-restraints excluded: chain a residue 80 MET Chi-restraints excluded: chain a residue 176 THR Chi-restraints excluded: chain a residue 191 SER Chi-restraints excluded: chain a residue 232 SER Chi-restraints excluded: chain a residue 239 VAL Chi-restraints excluded: chain a residue 243 ASN Chi-restraints excluded: chain a residue 260 VAL Chi-restraints excluded: chain a residue 317 ASN Chi-restraints excluded: chain a residue 350 CYS Chi-restraints excluded: chain b residue 61 ARG Chi-restraints excluded: chain b residue 80 MET Chi-restraints excluded: chain b residue 112 MET Chi-restraints excluded: chain b residue 116 CYS Chi-restraints excluded: chain b residue 124 VAL Chi-restraints excluded: chain b residue 182 SER Chi-restraints excluded: chain b residue 186 LEU Chi-restraints excluded: chain b residue 207 LYS Chi-restraints excluded: chain b residue 239 VAL Chi-restraints excluded: chain b residue 260 VAL Chi-restraints excluded: chain b residue 284 GLN Chi-restraints excluded: chain b residue 318 LEU Chi-restraints excluded: chain b residue 353 VAL Chi-restraints excluded: chain c residue 57 MET Chi-restraints excluded: chain c residue 61 ARG Chi-restraints excluded: chain c residue 80 MET Chi-restraints excluded: chain c residue 92 CYS Chi-restraints excluded: chain c residue 112 MET Chi-restraints excluded: chain c residue 123 LYS Chi-restraints excluded: chain c residue 124 VAL Chi-restraints excluded: chain c residue 129 SER Chi-restraints excluded: chain c residue 191 SER Chi-restraints excluded: chain c residue 239 VAL Chi-restraints excluded: chain c residue 259 ASN Chi-restraints excluded: chain c residue 260 VAL Chi-restraints excluded: chain c residue 284 GLN Chi-restraints excluded: chain c residue 317 ASN Chi-restraints excluded: chain c residue 318 LEU Chi-restraints excluded: chain c residue 350 CYS Chi-restraints excluded: chain d residue 57 MET Chi-restraints excluded: chain d residue 61 ARG Chi-restraints excluded: chain d residue 80 MET Chi-restraints excluded: chain d residue 92 CYS Chi-restraints excluded: chain d residue 112 MET Chi-restraints excluded: chain d residue 123 LYS Chi-restraints excluded: chain d residue 124 VAL Chi-restraints excluded: chain d residue 129 SER Chi-restraints excluded: chain d residue 182 SER Chi-restraints excluded: chain d residue 191 SER Chi-restraints excluded: chain d residue 239 VAL Chi-restraints excluded: chain d residue 259 ASN Chi-restraints excluded: chain d residue 260 VAL Chi-restraints excluded: chain d residue 284 GLN Chi-restraints excluded: chain d residue 317 ASN Chi-restraints excluded: chain d residue 350 CYS Chi-restraints excluded: chain e residue 57 MET Chi-restraints excluded: chain e residue 61 ARG Chi-restraints excluded: chain e residue 80 MET Chi-restraints excluded: chain e residue 92 CYS Chi-restraints excluded: chain e residue 112 MET Chi-restraints excluded: chain e residue 124 VAL Chi-restraints excluded: chain e residue 129 SER Chi-restraints excluded: chain e residue 191 SER Chi-restraints excluded: chain e residue 239 VAL Chi-restraints excluded: chain e residue 259 ASN Chi-restraints excluded: chain e residue 260 VAL Chi-restraints excluded: chain e residue 284 GLN Chi-restraints excluded: chain e residue 317 ASN Chi-restraints excluded: chain e residue 350 CYS Chi-restraints excluded: chain f residue 80 MET Chi-restraints excluded: chain f residue 112 MET Chi-restraints excluded: chain f residue 116 CYS Chi-restraints excluded: chain f residue 124 VAL Chi-restraints excluded: chain f residue 147 THR Chi-restraints excluded: chain f residue 182 SER Chi-restraints excluded: chain f residue 186 LEU Chi-restraints excluded: chain f residue 207 LYS Chi-restraints excluded: chain f residue 239 VAL Chi-restraints excluded: chain f residue 260 VAL Chi-restraints excluded: chain f residue 284 GLN Chi-restraints excluded: chain f residue 318 LEU Chi-restraints excluded: chain f residue 353 VAL Chi-restraints excluded: chain g residue 80 MET Chi-restraints excluded: chain g residue 176 THR Chi-restraints excluded: chain g residue 191 SER Chi-restraints excluded: chain g residue 239 VAL Chi-restraints excluded: chain g residue 243 ASN Chi-restraints excluded: chain g residue 260 VAL Chi-restraints excluded: chain g residue 314 VAL Chi-restraints excluded: chain g residue 317 ASN Chi-restraints excluded: chain h residue 50 THR Chi-restraints excluded: chain h residue 61 ARG Chi-restraints excluded: chain h residue 80 MET Chi-restraints excluded: chain h residue 87 VAL Chi-restraints excluded: chain h residue 112 MET Chi-restraints excluded: chain h residue 129 SER Chi-restraints excluded: chain h residue 135 SER Chi-restraints excluded: chain h residue 176 THR Chi-restraints excluded: chain h residue 191 SER Chi-restraints excluded: chain h residue 232 SER Chi-restraints excluded: chain h residue 239 VAL Chi-restraints excluded: chain h residue 258 ILE Chi-restraints excluded: chain h residue 260 VAL Chi-restraints excluded: chain h residue 284 GLN Chi-restraints excluded: chain h residue 292 THR Chi-restraints excluded: chain h residue 313 SER Chi-restraints excluded: chain h residue 317 ASN Chi-restraints excluded: chain h residue 340 LYS Chi-restraints excluded: chain i residue 61 ARG Chi-restraints excluded: chain i residue 112 MET Chi-restraints excluded: chain i residue 116 CYS Chi-restraints excluded: chain i residue 124 VAL Chi-restraints excluded: chain i residue 182 SER Chi-restraints excluded: chain i residue 186 LEU Chi-restraints excluded: chain i residue 207 LYS Chi-restraints excluded: chain i residue 239 VAL Chi-restraints excluded: chain i residue 260 VAL Chi-restraints excluded: chain i residue 284 GLN Chi-restraints excluded: chain i residue 318 LEU Chi-restraints excluded: chain i residue 353 VAL Chi-restraints excluded: chain j residue 80 MET Chi-restraints excluded: chain j residue 176 THR Chi-restraints excluded: chain j residue 191 SER Chi-restraints excluded: chain j residue 232 SER Chi-restraints excluded: chain j residue 239 VAL Chi-restraints excluded: chain j residue 243 ASN Chi-restraints excluded: chain j residue 260 VAL Chi-restraints excluded: chain j residue 317 ASN Chi-restraints excluded: chain j residue 350 CYS Chi-restraints excluded: chain k residue 57 MET Chi-restraints excluded: chain k residue 61 ARG Chi-restraints excluded: chain k residue 105 VAL Chi-restraints excluded: chain k residue 124 VAL Chi-restraints excluded: chain k residue 129 SER Chi-restraints excluded: chain k residue 147 THR Chi-restraints excluded: chain k residue 176 THR Chi-restraints excluded: chain k residue 191 SER Chi-restraints excluded: chain k residue 239 VAL Chi-restraints excluded: chain k residue 254 THR Chi-restraints excluded: chain k residue 259 ASN Chi-restraints excluded: chain k residue 260 VAL Chi-restraints excluded: chain k residue 284 GLN Chi-restraints excluded: chain k residue 313 SER Chi-restraints excluded: chain k residue 317 ASN Chi-restraints excluded: chain k residue 338 GLU Chi-restraints excluded: chain k residue 350 CYS Chi-restraints excluded: chain l residue 57 MET Chi-restraints excluded: chain l residue 61 ARG Chi-restraints excluded: chain l residue 105 VAL Chi-restraints excluded: chain l residue 123 LYS Chi-restraints excluded: chain l residue 124 VAL Chi-restraints excluded: chain l residue 129 SER Chi-restraints excluded: chain l residue 147 THR Chi-restraints excluded: chain l residue 176 THR Chi-restraints excluded: chain l residue 191 SER Chi-restraints excluded: chain l residue 239 VAL Chi-restraints excluded: chain l residue 259 ASN Chi-restraints excluded: chain l residue 260 VAL Chi-restraints excluded: chain l residue 284 GLN Chi-restraints excluded: chain l residue 313 SER Chi-restraints excluded: chain l residue 317 ASN Chi-restraints excluded: chain l residue 338 GLU Chi-restraints excluded: chain l residue 350 CYS Chi-restraints excluded: chain m residue 57 MET Chi-restraints excluded: chain m residue 61 ARG Chi-restraints excluded: chain m residue 105 VAL Chi-restraints excluded: chain m residue 123 LYS Chi-restraints excluded: chain m residue 124 VAL Chi-restraints excluded: chain m residue 129 SER Chi-restraints excluded: chain m residue 147 THR Chi-restraints excluded: chain m residue 176 THR Chi-restraints excluded: chain m residue 191 SER Chi-restraints excluded: chain m residue 239 VAL Chi-restraints excluded: chain m residue 259 ASN Chi-restraints excluded: chain m residue 260 VAL Chi-restraints excluded: chain m residue 284 GLN Chi-restraints excluded: chain m residue 313 SER Chi-restraints excluded: chain m residue 317 ASN Chi-restraints excluded: chain m residue 338 GLU Chi-restraints excluded: chain m residue 350 CYS Chi-restraints excluded: chain n residue 61 ARG Chi-restraints excluded: chain n residue 112 MET Chi-restraints excluded: chain n residue 116 CYS Chi-restraints excluded: chain n residue 124 VAL Chi-restraints excluded: chain n residue 182 SER Chi-restraints excluded: chain n residue 186 LEU Chi-restraints excluded: chain n residue 207 LYS Chi-restraints excluded: chain n residue 239 VAL Chi-restraints excluded: chain n residue 260 VAL Chi-restraints excluded: chain n residue 284 GLN Chi-restraints excluded: chain n residue 313 SER Chi-restraints excluded: chain n residue 318 LEU Chi-restraints excluded: chain n residue 353 VAL Chi-restraints excluded: chain o residue 176 THR Chi-restraints excluded: chain o residue 191 SER Chi-restraints excluded: chain o residue 207 LYS Chi-restraints excluded: chain o residue 232 SER Chi-restraints excluded: chain o residue 239 VAL Chi-restraints excluded: chain o residue 243 ASN Chi-restraints excluded: chain o residue 260 VAL Chi-restraints excluded: chain o residue 317 ASN Chi-restraints excluded: chain o residue 350 CYS Chi-restraints excluded: chain p residue 50 THR Chi-restraints excluded: chain p residue 61 ARG Chi-restraints excluded: chain p residue 80 MET Chi-restraints excluded: chain p residue 87 VAL Chi-restraints excluded: chain p residue 112 MET Chi-restraints excluded: chain p residue 129 SER Chi-restraints excluded: chain p residue 176 THR Chi-restraints excluded: chain p residue 191 SER Chi-restraints excluded: chain p residue 232 SER Chi-restraints excluded: chain p residue 239 VAL Chi-restraints excluded: chain p residue 258 ILE Chi-restraints excluded: chain p residue 260 VAL Chi-restraints excluded: chain p residue 284 GLN Chi-restraints excluded: chain p residue 292 THR Chi-restraints excluded: chain p residue 313 SER Chi-restraints excluded: chain p residue 317 ASN Chi-restraints excluded: chain p residue 340 LYS Chi-restraints excluded: chain q residue 61 ARG Chi-restraints excluded: chain q residue 80 MET Chi-restraints excluded: chain q residue 112 MET Chi-restraints excluded: chain q residue 116 CYS Chi-restraints excluded: chain q residue 124 VAL Chi-restraints excluded: chain q residue 182 SER Chi-restraints excluded: chain q residue 186 LEU Chi-restraints excluded: chain q residue 207 LYS Chi-restraints excluded: chain q residue 239 VAL Chi-restraints excluded: chain q residue 260 VAL Chi-restraints excluded: chain q residue 284 GLN Chi-restraints excluded: chain q residue 313 SER Chi-restraints excluded: chain q residue 353 VAL Chi-restraints excluded: chain r residue 176 THR Chi-restraints excluded: chain r residue 182 SER Chi-restraints excluded: chain r residue 183 MET Chi-restraints excluded: chain r residue 191 SER Chi-restraints excluded: chain r residue 207 LYS Chi-restraints excluded: chain r residue 232 SER Chi-restraints excluded: chain r residue 239 VAL Chi-restraints excluded: chain r residue 243 ASN Chi-restraints excluded: chain r residue 260 VAL Chi-restraints excluded: chain r residue 314 VAL Chi-restraints excluded: chain r residue 317 ASN Chi-restraints excluded: chain r residue 350 CYS Chi-restraints excluded: chain s residue 50 THR Chi-restraints excluded: chain s residue 61 ARG Chi-restraints excluded: chain s residue 80 MET Chi-restraints excluded: chain s residue 87 VAL Chi-restraints excluded: chain s residue 112 MET Chi-restraints excluded: chain s residue 129 SER Chi-restraints excluded: chain s residue 135 SER Chi-restraints excluded: chain s residue 176 THR Chi-restraints excluded: chain s residue 182 SER Chi-restraints excluded: chain s residue 191 SER Chi-restraints excluded: chain s residue 239 VAL Chi-restraints excluded: chain s residue 258 ILE Chi-restraints excluded: chain s residue 259 ASN Chi-restraints excluded: chain s residue 260 VAL Chi-restraints excluded: chain s residue 284 GLN Chi-restraints excluded: chain s residue 292 THR Chi-restraints excluded: chain s residue 313 SER Chi-restraints excluded: chain s residue 317 ASN Chi-restraints excluded: chain s residue 340 LYS Chi-restraints excluded: chain t residue 57 MET Chi-restraints excluded: chain t residue 61 ARG Chi-restraints excluded: chain t residue 105 VAL Chi-restraints excluded: chain t residue 124 VAL Chi-restraints excluded: chain t residue 129 SER Chi-restraints excluded: chain t residue 147 THR Chi-restraints excluded: chain t residue 176 THR Chi-restraints excluded: chain t residue 191 SER Chi-restraints excluded: chain t residue 239 VAL Chi-restraints excluded: chain t residue 254 THR Chi-restraints excluded: chain t residue 259 ASN Chi-restraints excluded: chain t residue 260 VAL Chi-restraints excluded: chain t residue 284 GLN Chi-restraints excluded: chain t residue 313 SER Chi-restraints excluded: chain t residue 338 GLU Chi-restraints excluded: chain t residue 350 CYS Chi-restraints excluded: chain u residue 57 MET Chi-restraints excluded: chain u residue 61 ARG Chi-restraints excluded: chain u residue 105 VAL Chi-restraints excluded: chain u residue 123 LYS Chi-restraints excluded: chain u residue 124 VAL Chi-restraints excluded: chain u residue 129 SER Chi-restraints excluded: chain u residue 147 THR Chi-restraints excluded: chain u residue 176 THR Chi-restraints excluded: chain u residue 191 SER Chi-restraints excluded: chain u residue 239 VAL Chi-restraints excluded: chain u residue 259 ASN Chi-restraints excluded: chain u residue 260 VAL Chi-restraints excluded: chain u residue 284 GLN Chi-restraints excluded: chain u residue 313 SER Chi-restraints excluded: chain u residue 317 ASN Chi-restraints excluded: chain u residue 338 GLU Chi-restraints excluded: chain u residue 350 CYS Chi-restraints excluded: chain v residue 57 MET Chi-restraints excluded: chain v residue 61 ARG Chi-restraints excluded: chain v residue 105 VAL Chi-restraints excluded: chain v residue 124 VAL Chi-restraints excluded: chain v residue 129 SER Chi-restraints excluded: chain v residue 147 THR Chi-restraints excluded: chain v residue 176 THR Chi-restraints excluded: chain v residue 191 SER Chi-restraints excluded: chain v residue 239 VAL Chi-restraints excluded: chain v residue 259 ASN Chi-restraints excluded: chain v residue 260 VAL Chi-restraints excluded: chain v residue 284 GLN Chi-restraints excluded: chain v residue 313 SER Chi-restraints excluded: chain v residue 338 GLU Chi-restraints excluded: chain v residue 350 CYS Chi-restraints excluded: chain w residue 50 THR Chi-restraints excluded: chain w residue 61 ARG Chi-restraints excluded: chain w residue 80 MET Chi-restraints excluded: chain w residue 87 VAL Chi-restraints excluded: chain w residue 112 MET Chi-restraints excluded: chain w residue 129 SER Chi-restraints excluded: chain w residue 135 SER Chi-restraints excluded: chain w residue 176 THR Chi-restraints excluded: chain w residue 191 SER Chi-restraints excluded: chain w residue 232 SER Chi-restraints excluded: chain w residue 239 VAL Chi-restraints excluded: chain w residue 258 ILE Chi-restraints excluded: chain w residue 260 VAL Chi-restraints excluded: chain w residue 284 GLN Chi-restraints excluded: chain w residue 292 THR Chi-restraints excluded: chain w residue 313 SER Chi-restraints excluded: chain w residue 317 ASN Chi-restraints excluded: chain w residue 340 LYS Chi-restraints excluded: chain x residue 80 MET Chi-restraints excluded: chain x residue 176 THR Chi-restraints excluded: chain x residue 191 SER Chi-restraints excluded: chain x residue 232 SER Chi-restraints excluded: chain x residue 236 ASN Chi-restraints excluded: chain x residue 239 VAL Chi-restraints excluded: chain x residue 243 ASN Chi-restraints excluded: chain x residue 260 VAL Chi-restraints excluded: chain x residue 317 ASN Chi-restraints excluded: chain y residue 57 MET Chi-restraints excluded: chain y residue 61 ARG Chi-restraints excluded: chain y residue 80 MET Chi-restraints excluded: chain y residue 92 CYS Chi-restraints excluded: chain y residue 112 MET Chi-restraints excluded: chain y residue 123 LYS Chi-restraints excluded: chain y residue 124 VAL Chi-restraints excluded: chain y residue 129 SER Chi-restraints excluded: chain y residue 182 SER Chi-restraints excluded: chain y residue 191 SER Chi-restraints excluded: chain y residue 207 LYS Chi-restraints excluded: chain y residue 239 VAL Chi-restraints excluded: chain y residue 259 ASN Chi-restraints excluded: chain y residue 260 VAL Chi-restraints excluded: chain y residue 284 GLN Chi-restraints excluded: chain y residue 317 ASN Chi-restraints excluded: chain y residue 350 CYS Chi-restraints excluded: chain z residue 57 MET Chi-restraints excluded: chain z residue 61 ARG Chi-restraints excluded: chain z residue 80 MET Chi-restraints excluded: chain z residue 92 CYS Chi-restraints excluded: chain z residue 112 MET Chi-restraints excluded: chain z residue 123 LYS Chi-restraints excluded: chain z residue 124 VAL Chi-restraints excluded: chain z residue 129 SER Chi-restraints excluded: chain z residue 182 SER Chi-restraints excluded: chain z residue 191 SER Chi-restraints excluded: chain z residue 239 VAL Chi-restraints excluded: chain z residue 260 VAL Chi-restraints excluded: chain z residue 284 GLN Chi-restraints excluded: chain z residue 317 ASN Chi-restraints excluded: chain z residue 350 CYS Chi-restraints excluded: chain 1 residue 57 MET Chi-restraints excluded: chain 1 residue 61 ARG Chi-restraints excluded: chain 1 residue 80 MET Chi-restraints excluded: chain 1 residue 92 CYS Chi-restraints excluded: chain 1 residue 112 MET Chi-restraints excluded: chain 1 residue 123 LYS Chi-restraints excluded: chain 1 residue 124 VAL Chi-restraints excluded: chain 1 residue 129 SER Chi-restraints excluded: chain 1 residue 167 LEU Chi-restraints excluded: chain 1 residue 182 SER Chi-restraints excluded: chain 1 residue 191 SER Chi-restraints excluded: chain 1 residue 239 VAL Chi-restraints excluded: chain 1 residue 260 VAL Chi-restraints excluded: chain 1 residue 284 GLN Chi-restraints excluded: chain 1 residue 317 ASN Chi-restraints excluded: chain 1 residue 350 CYS Chi-restraints excluded: chain 2 residue 112 MET Chi-restraints excluded: chain 2 residue 116 CYS Chi-restraints excluded: chain 2 residue 124 VAL Chi-restraints excluded: chain 2 residue 182 SER Chi-restraints excluded: chain 2 residue 186 LEU Chi-restraints excluded: chain 2 residue 239 VAL Chi-restraints excluded: chain 2 residue 260 VAL Chi-restraints excluded: chain 2 residue 284 GLN Chi-restraints excluded: chain 2 residue 318 LEU Chi-restraints excluded: chain 2 residue 353 VAL Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1980 random chunks: chunk 1180 optimal weight: 6.9990 chunk 762 optimal weight: 2.9990 chunk 1139 optimal weight: 3.9990 chunk 574 optimal weight: 7.9990 chunk 374 optimal weight: 0.9980 chunk 369 optimal weight: 9.9990 chunk 1213 optimal weight: 3.9990 chunk 1300 optimal weight: 0.8980 chunk 943 optimal weight: 0.8980 chunk 177 optimal weight: 0.6980 chunk 1500 optimal weight: 2.9990 overall best weight: 1.2982 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 259 ASN A 319 ASN ** A 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 312 ASN ** B 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 345 GLN B 368 HIS C 68 ASN C 284 GLN ** D 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 259 ASN ** D 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 319 ASN ** D 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 259 ASN ** E 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 319 ASN ** G 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 68 ASN I 130 ASN ** I 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 284 GLN I 328 GLN ** J 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 368 HIS K 68 ASN K 130 ASN K 284 GLN L 312 ASN ** L 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 345 GLN L 368 HIS ** M 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 328 GLN ** O 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 259 ASN ** P 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 68 ASN ** Q 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 284 GLN ** R 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 368 HIS S 236 ASN S 259 ASN S 312 ASN ** S 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 368 HIS T 68 ASN T 284 GLN U 312 ASN ** U 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 345 GLN U 368 HIS V 68 ASN V 284 GLN V 328 GLN ** W 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 328 GLN ** Z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 259 ASN ** Z 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 312 ASN ** 8 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 345 GLN 7 164 GLN ** 7 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 312 ASN ** 7 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 345 GLN ** 6 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 342 ASN 6 345 GLN ** 5 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 345 GLN ** 4 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 312 ASN ** 4 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 345 GLN ** 3 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 345 GLN a 130 ASN a 284 GLN a 319 ASN a 328 GLN ** b 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 259 ASN ** b 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 342 ASN ** c 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 319 ASN ** e 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 328 GLN ** f 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 259 ASN ** f 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 68 ASN g 284 GLN ** h 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 312 ASN h 319 ASN ** h 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 345 GLN ** i 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 68 ASN j 284 GLN j 328 GLN k 312 ASN ** k 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 368 HIS ** l 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 368 HIS m 312 ASN ** m 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 345 GLN m 368 HIS ** n 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 259 ASN ** n 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 68 ASN ** o 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 284 GLN o 328 GLN ** p 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 312 ASN ** p 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 345 GLN ** q 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 130 ASN ** r 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 284 GLN r 328 GLN ** s 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 319 ASN s 345 GLN t 312 ASN ** t 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 345 GLN t 368 HIS u 130 ASN u 259 ASN u 312 ASN ** u 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 345 GLN u 368 HIS v 312 ASN ** v 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 368 HIS w 164 GLN ** w 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 68 ASN x 284 GLN x 319 ASN x 328 GLN ** y 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 328 GLN ** z 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 259 ASN ** z 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 319 ASN ** z 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 259 ASN ** 1 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 105 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8498 moved from start: 0.3455 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.045 161760 Z= 0.244 Angle : 0.573 5.539 220140 Z= 0.309 Chirality : 0.049 0.176 24060 Planarity : 0.004 0.035 28500 Dihedral : 5.567 20.665 21660 Min Nonbonded Distance : 2.062 Molprobity Statistics. All-atom Clashscore : 15.29 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.59 % Favored : 94.41 % Rotamer: Outliers : 5.28 % Allowed : 17.13 % Favored : 77.59 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.28 (0.06), residues: 19920 helix: -2.85 (0.13), residues: 1200 sheet: -0.53 (0.07), residues: 6000 loop : -0.78 (0.05), residues: 12720 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.015 0.001 TRP S 211 HIS 0.008 0.001 HIS s 257 PHE 0.032 0.002 PHE C 366 TYR 0.013 0.001 TYR y 110 ARG 0.004 0.000 ARG M 356 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 39840 Ramachandran restraints generated. 19920 Oldfield, 0 Emsley, 19920 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 39840 Ramachandran restraints generated. 19920 Oldfield, 0 Emsley, 19920 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3642 residues out of total 17520 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 925 poor density : 2717 time to evaluate : 11.683 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: A 127 THR cc_start: 0.8961 (m) cc_final: 0.8681 (m) REVERT: A 284 GLN cc_start: 0.8387 (OUTLIER) cc_final: 0.7990 (mp10) REVERT: A 345 GLN cc_start: 0.8150 (mt0) cc_final: 0.7909 (mt0) REVERT: B 61 ARG cc_start: 0.7841 (OUTLIER) cc_final: 0.7574 (mtt90) REVERT: B 317 ASN cc_start: 0.8517 (OUTLIER) cc_final: 0.8079 (p0) REVERT: C 88 MET cc_start: 0.9112 (mmm) cc_final: 0.8822 (mmm) REVERT: C 112 MET cc_start: 0.8747 (ppp) cc_final: 0.8492 (tmm) REVERT: D 61 ARG cc_start: 0.7920 (OUTLIER) cc_final: 0.7661 (mtt90) REVERT: D 92 CYS cc_start: 0.8282 (OUTLIER) cc_final: 0.8009 (p) REVERT: D 284 GLN cc_start: 0.8548 (OUTLIER) cc_final: 0.7941 (mp10) REVERT: E 61 ARG cc_start: 0.7865 (ttm110) cc_final: 0.7637 (mtt90) REVERT: E 68 ASN cc_start: 0.8550 (t0) cc_final: 0.8349 (t0) REVERT: E 80 MET cc_start: 0.9220 (ptt) cc_final: 0.8937 (ptt) REVERT: F 80 MET cc_start: 0.9067 (OUTLIER) cc_final: 0.8634 (pmt) REVERT: F 127 THR cc_start: 0.8961 (m) cc_final: 0.8683 (m) REVERT: F 284 GLN cc_start: 0.8464 (OUTLIER) cc_final: 0.8060 (mp10) REVERT: G 61 ARG cc_start: 0.7872 (ttm110) cc_final: 0.7640 (mtt90) REVERT: G 68 ASN cc_start: 0.8546 (t0) cc_final: 0.8343 (t0) REVERT: G 207 LYS cc_start: 0.8529 (OUTLIER) cc_final: 0.8270 (mtpp) REVERT: H 61 ARG cc_start: 0.7898 (OUTLIER) cc_final: 0.7658 (mtt90) REVERT: H 92 CYS cc_start: 0.8226 (OUTLIER) cc_final: 0.8012 (p) REVERT: H 284 GLN cc_start: 0.8548 (OUTLIER) cc_final: 0.7915 (mp10) REVERT: I 88 MET cc_start: 0.9106 (mmm) cc_final: 0.8821 (mmm) REVERT: I 112 MET cc_start: 0.8749 (ppp) cc_final: 0.8488 (tmm) REVERT: I 207 LYS cc_start: 0.8655 (OUTLIER) cc_final: 0.8366 (mtpp) REVERT: J 61 ARG cc_start: 0.7824 (OUTLIER) cc_final: 0.7552 (mtt90) REVERT: K 88 MET cc_start: 0.9110 (mmm) cc_final: 0.8782 (mmm) REVERT: L 61 ARG cc_start: 0.7824 (OUTLIER) cc_final: 0.7550 (mtt90) REVERT: L 317 ASN cc_start: 0.8499 (OUTLIER) cc_final: 0.8009 (p0) REVERT: M 48 GLN cc_start: 0.8619 (OUTLIER) cc_final: 0.8357 (pt0) REVERT: M 61 ARG cc_start: 0.7868 (ttm110) cc_final: 0.7606 (mtt90) REVERT: M 80 MET cc_start: 0.9211 (ptt) cc_final: 0.8919 (ptt) REVERT: M 207 LYS cc_start: 0.8532 (OUTLIER) cc_final: 0.8266 (mtpp) REVERT: N 61 ARG cc_start: 0.7916 (OUTLIER) cc_final: 0.7659 (mtt90) REVERT: N 92 CYS cc_start: 0.8257 (OUTLIER) cc_final: 0.7962 (p) REVERT: N 284 GLN cc_start: 0.8556 (OUTLIER) cc_final: 0.7957 (mp10) REVERT: N 318 LEU cc_start: 0.9358 (OUTLIER) cc_final: 0.9135 (mt) REVERT: N 322 ASN cc_start: 0.8441 (p0) cc_final: 0.8226 (p0) REVERT: O 61 ARG cc_start: 0.7889 (OUTLIER) cc_final: 0.7603 (mtt90) REVERT: O 207 LYS cc_start: 0.8527 (OUTLIER) cc_final: 0.8303 (mtpp) REVERT: O 284 GLN cc_start: 0.8408 (OUTLIER) cc_final: 0.7870 (mp10) REVERT: P 61 ARG cc_start: 0.7897 (OUTLIER) cc_final: 0.7656 (mtt90) REVERT: P 92 CYS cc_start: 0.8208 (OUTLIER) cc_final: 0.8002 (p) REVERT: P 284 GLN cc_start: 0.8545 (OUTLIER) cc_final: 0.7910 (mp10) REVERT: Q 88 MET cc_start: 0.9108 (mmm) cc_final: 0.8824 (mmm) REVERT: Q 112 MET cc_start: 0.8746 (ppp) cc_final: 0.8493 (tmm) REVERT: Q 207 LYS cc_start: 0.8669 (OUTLIER) cc_final: 0.8389 (mtpp) REVERT: R 61 ARG cc_start: 0.7856 (OUTLIER) cc_final: 0.7597 (mtt90) REVERT: R 317 ASN cc_start: 0.8513 (OUTLIER) cc_final: 0.8073 (p0) REVERT: S 61 ARG cc_start: 0.7819 (OUTLIER) cc_final: 0.7547 (mtt90) REVERT: S 236 ASN cc_start: 0.8287 (OUTLIER) cc_final: 0.8007 (p0) REVERT: S 317 ASN cc_start: 0.8498 (OUTLIER) cc_final: 0.8011 (p0) REVERT: T 88 MET cc_start: 0.9115 (mmm) cc_final: 0.8785 (mmm) REVERT: U 61 ARG cc_start: 0.7822 (OUTLIER) cc_final: 0.7547 (mtt90) REVERT: V 239 VAL cc_start: 0.9137 (OUTLIER) cc_final: 0.8834 (m) REVERT: W 61 ARG cc_start: 0.7912 (OUTLIER) cc_final: 0.7662 (mtt90) REVERT: W 88 MET cc_start: 0.8896 (mmm) cc_final: 0.8537 (mmm) REVERT: W 92 CYS cc_start: 0.8216 (OUTLIER) cc_final: 0.8011 (p) REVERT: W 239 VAL cc_start: 0.9009 (OUTLIER) cc_final: 0.8771 (m) REVERT: W 284 GLN cc_start: 0.8551 (OUTLIER) cc_final: 0.7940 (mp10) REVERT: W 318 LEU cc_start: 0.9359 (OUTLIER) cc_final: 0.9141 (mt) REVERT: X 61 ARG cc_start: 0.7860 (ttm110) cc_final: 0.7607 (mtt90) REVERT: X 80 MET cc_start: 0.9200 (ptt) cc_final: 0.8895 (ptt) REVERT: X 207 LYS cc_start: 0.8534 (OUTLIER) cc_final: 0.8304 (mtpp) REVERT: Y 61 ARG cc_start: 0.7916 (OUTLIER) cc_final: 0.7661 (mtt90) REVERT: Y 92 CYS cc_start: 0.8197 (OUTLIER) cc_final: 0.7977 (p) REVERT: Y 284 GLN cc_start: 0.8544 (OUTLIER) cc_final: 0.7940 (mp10) REVERT: Z 61 ARG cc_start: 0.7884 (OUTLIER) cc_final: 0.7597 (mtt90) REVERT: Z 80 MET cc_start: 0.9209 (ptt) cc_final: 0.8916 (ptt) REVERT: Z 284 GLN cc_start: 0.8415 (OUTLIER) cc_final: 0.7877 (mp10) REVERT: 8 61 ARG cc_start: 0.7909 (OUTLIER) cc_final: 0.6941 (mtm180) REVERT: 8 80 MET cc_start: 0.9053 (OUTLIER) cc_final: 0.8626 (pmt) REVERT: 8 127 THR cc_start: 0.8974 (m) cc_final: 0.8691 (m) REVERT: 8 284 GLN cc_start: 0.8474 (OUTLIER) cc_final: 0.8078 (mp10) REVERT: 7 61 ARG cc_start: 0.7886 (OUTLIER) cc_final: 0.6885 (mtm180) REVERT: 7 127 THR cc_start: 0.8966 (m) cc_final: 0.8692 (m) REVERT: 7 284 GLN cc_start: 0.8424 (OUTLIER) cc_final: 0.8013 (mp10) REVERT: 6 80 MET cc_start: 0.9053 (OUTLIER) cc_final: 0.8626 (pmt) REVERT: 6 127 THR cc_start: 0.8967 (m) cc_final: 0.8694 (m) REVERT: 6 284 GLN cc_start: 0.8471 (OUTLIER) cc_final: 0.8074 (mp10) REVERT: 5 61 ARG cc_start: 0.7911 (OUTLIER) cc_final: 0.6941 (mtm180) REVERT: 5 80 MET cc_start: 0.9092 (OUTLIER) cc_final: 0.8819 (pmt) REVERT: 5 284 GLN cc_start: 0.8416 (OUTLIER) cc_final: 0.8007 (mp10) REVERT: 4 127 THR cc_start: 0.8970 (m) cc_final: 0.8689 (m) REVERT: 4 284 GLN cc_start: 0.8501 (OUTLIER) cc_final: 0.8100 (mp10) REVERT: 3 80 MET cc_start: 0.9081 (OUTLIER) cc_final: 0.8636 (pmt) REVERT: 3 127 THR cc_start: 0.8963 (m) cc_final: 0.8687 (m) REVERT: 3 284 GLN cc_start: 0.8473 (OUTLIER) cc_final: 0.8078 (mp10) REVERT: a 88 MET cc_start: 0.9116 (mmm) cc_final: 0.8794 (mmm) REVERT: b 48 GLN cc_start: 0.8620 (OUTLIER) cc_final: 0.8358 (pt0) REVERT: b 61 ARG cc_start: 0.7870 (ttm110) cc_final: 0.7612 (mtt90) REVERT: b 80 MET cc_start: 0.9222 (ptt) cc_final: 0.8933 (ptt) REVERT: b 284 GLN cc_start: 0.8405 (OUTLIER) cc_final: 0.7869 (mp10) REVERT: c 61 ARG cc_start: 0.7920 (OUTLIER) cc_final: 0.7691 (mtt90) REVERT: c 284 GLN cc_start: 0.8548 (OUTLIER) cc_final: 0.7946 (mp10) REVERT: c 322 ASN cc_start: 0.8440 (p0) cc_final: 0.8228 (p0) REVERT: d 61 ARG cc_start: 0.7937 (OUTLIER) cc_final: 0.7681 (mtt90) REVERT: d 92 CYS cc_start: 0.8223 (OUTLIER) cc_final: 0.8014 (p) REVERT: d 284 GLN cc_start: 0.8555 (OUTLIER) cc_final: 0.7949 (mp10) REVERT: e 61 ARG cc_start: 0.7924 (OUTLIER) cc_final: 0.7693 (mtt90) REVERT: e 92 CYS cc_start: 0.8207 (OUTLIER) cc_final: 0.8002 (p) REVERT: e 284 GLN cc_start: 0.8547 (OUTLIER) cc_final: 0.7942 (mp10) REVERT: f 61 ARG cc_start: 0.7872 (OUTLIER) cc_final: 0.7646 (mtt90) REVERT: f 80 MET cc_start: 0.9211 (ptt) cc_final: 0.8918 (ptt) REVERT: g 88 MET cc_start: 0.9117 (mmm) cc_final: 0.8772 (mmm) REVERT: h 61 ARG cc_start: 0.7900 (OUTLIER) cc_final: 0.6925 (mtm180) REVERT: h 127 THR cc_start: 0.8979 (m) cc_final: 0.8692 (m) REVERT: h 284 GLN cc_start: 0.8465 (OUTLIER) cc_final: 0.8046 (mp10) REVERT: i 48 GLN cc_start: 0.8617 (OUTLIER) cc_final: 0.8354 (pt0) REVERT: i 61 ARG cc_start: 0.7868 (ttm110) cc_final: 0.7611 (mtt90) REVERT: i 207 LYS cc_start: 0.8543 (OUTLIER) cc_final: 0.8317 (mtpp) REVERT: i 284 GLN cc_start: 0.8427 (OUTLIER) cc_final: 0.7895 (mp10) REVERT: j 239 VAL cc_start: 0.9128 (OUTLIER) cc_final: 0.8837 (m) REVERT: k 61 ARG cc_start: 0.7848 (OUTLIER) cc_final: 0.7580 (mtt90) REVERT: k 317 ASN cc_start: 0.8518 (OUTLIER) cc_final: 0.8080 (p0) REVERT: l 61 ARG cc_start: 0.7825 (OUTLIER) cc_final: 0.7553 (mtt90) REVERT: m 61 ARG cc_start: 0.7826 (OUTLIER) cc_final: 0.7551 (mtt90) REVERT: m 317 ASN cc_start: 0.8512 (OUTLIER) cc_final: 0.8073 (p0) REVERT: n 61 ARG cc_start: 0.7869 (ttm110) cc_final: 0.7630 (mtt90) REVERT: n 68 ASN cc_start: 0.8553 (t0) cc_final: 0.8347 (t0) REVERT: o 207 LYS cc_start: 0.8667 (OUTLIER) cc_final: 0.8367 (mtpp) REVERT: p 61 ARG cc_start: 0.7898 (OUTLIER) cc_final: 0.6930 (mtm180) REVERT: p 284 GLN cc_start: 0.8382 (OUTLIER) cc_final: 0.7971 (mp10) REVERT: q 61 ARG cc_start: 0.7863 (ttm110) cc_final: 0.7636 (mtt90) REVERT: q 80 MET cc_start: 0.9215 (ptt) cc_final: 0.8927 (ptt) REVERT: q 207 LYS cc_start: 0.8537 (OUTLIER) cc_final: 0.8307 (mtpp) REVERT: r 207 LYS cc_start: 0.8654 (OUTLIER) cc_final: 0.8367 (mtpp) REVERT: r 239 VAL cc_start: 0.9165 (OUTLIER) cc_final: 0.8887 (m) REVERT: s 127 THR cc_start: 0.8960 (m) cc_final: 0.8677 (m) REVERT: s 284 GLN cc_start: 0.8455 (OUTLIER) cc_final: 0.8050 (mp10) REVERT: t 61 ARG cc_start: 0.7822 (OUTLIER) cc_final: 0.7547 (mtt90) REVERT: u 61 ARG cc_start: 0.7823 (OUTLIER) cc_final: 0.7548 (mtt90) REVERT: u 317 ASN cc_start: 0.8515 (OUTLIER) cc_final: 0.8078 (p0) REVERT: v 61 ARG cc_start: 0.7820 (OUTLIER) cc_final: 0.7552 (mtt90) REVERT: w 61 ARG cc_start: 0.7913 (OUTLIER) cc_final: 0.6947 (mtm180) REVERT: w 127 THR cc_start: 0.8955 (m) cc_final: 0.8666 (m) REVERT: w 284 GLN cc_start: 0.8469 (OUTLIER) cc_final: 0.8071 (mp10) REVERT: w 345 GLN cc_start: 0.8100 (mt0) cc_final: 0.7896 (mt0) REVERT: x 88 MET cc_start: 0.9116 (mmm) cc_final: 0.8786 (mmm) REVERT: y 61 ARG cc_start: 0.7903 (OUTLIER) cc_final: 0.7661 (mtt90) REVERT: y 92 CYS cc_start: 0.8215 (OUTLIER) cc_final: 0.7997 (p) REVERT: y 110 TYR cc_start: 0.8342 (t80) cc_final: 0.8139 (t80) REVERT: y 233 ASP cc_start: 0.7965 (t70) cc_final: 0.7306 (t70) REVERT: y 284 GLN cc_start: 0.8554 (OUTLIER) cc_final: 0.7953 (mp10) REVERT: z 61 ARG cc_start: 0.7920 (OUTLIER) cc_final: 0.7688 (mtt90) REVERT: z 92 CYS cc_start: 0.8224 (OUTLIER) cc_final: 0.7974 (p) REVERT: z 284 GLN cc_start: 0.8546 (OUTLIER) cc_final: 0.7940 (mp10) REVERT: 1 61 ARG cc_start: 0.7903 (OUTLIER) cc_final: 0.7660 (mtt90) REVERT: 1 92 CYS cc_start: 0.8237 (OUTLIER) cc_final: 0.7993 (p) REVERT: 1 284 GLN cc_start: 0.8550 (OUTLIER) cc_final: 0.7941 (mp10) REVERT: 2 61 ARG cc_start: 0.7881 (OUTLIER) cc_final: 0.7612 (mtt90) REVERT: 2 284 GLN cc_start: 0.8424 (OUTLIER) cc_final: 0.7877 (mp10) outliers start: 925 outliers final: 558 residues processed: 3308 average time/residue: 1.6829 time to fit residues: 8384.6299 Evaluate side-chains 3285 residues out of total 17520 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 664 poor density : 2621 time to evaluate : 11.617 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 61 ARG Chi-restraints excluded: chain A residue 85 TRP Chi-restraints excluded: chain A residue 87 VAL Chi-restraints excluded: chain A residue 112 MET Chi-restraints excluded: chain A residue 176 THR Chi-restraints excluded: chain A residue 182 SER Chi-restraints excluded: chain A residue 191 SER Chi-restraints excluded: chain A residue 232 SER Chi-restraints excluded: chain A residue 239 VAL Chi-restraints excluded: chain A residue 247 ASN Chi-restraints excluded: chain A residue 260 VAL Chi-restraints excluded: chain A residue 284 GLN Chi-restraints excluded: chain A residue 340 LYS Chi-restraints excluded: chain B residue 57 MET Chi-restraints excluded: chain B residue 61 ARG Chi-restraints excluded: chain B residue 124 VAL Chi-restraints excluded: chain B residue 129 SER Chi-restraints excluded: chain B residue 147 THR Chi-restraints excluded: chain B residue 176 THR Chi-restraints excluded: chain B residue 191 SER Chi-restraints excluded: chain B residue 239 VAL Chi-restraints excluded: chain B residue 254 THR Chi-restraints excluded: chain B residue 259 ASN Chi-restraints excluded: chain B residue 260 VAL Chi-restraints excluded: chain B residue 284 GLN Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 317 ASN Chi-restraints excluded: chain B residue 350 CYS Chi-restraints excluded: chain C residue 176 THR Chi-restraints excluded: chain C residue 191 SER Chi-restraints excluded: chain C residue 232 SER Chi-restraints excluded: chain C residue 239 VAL Chi-restraints excluded: chain C residue 243 ASN Chi-restraints excluded: chain C residue 260 VAL Chi-restraints excluded: chain C residue 317 ASN Chi-restraints excluded: chain C residue 350 CYS Chi-restraints excluded: chain D residue 57 MET Chi-restraints excluded: chain D residue 61 ARG Chi-restraints excluded: chain D residue 92 CYS Chi-restraints excluded: chain D residue 124 VAL Chi-restraints excluded: chain D residue 129 SER Chi-restraints excluded: chain D residue 182 SER Chi-restraints excluded: chain D residue 191 SER Chi-restraints excluded: chain D residue 239 VAL Chi-restraints excluded: chain D residue 260 VAL Chi-restraints excluded: chain D residue 284 GLN Chi-restraints excluded: chain D residue 317 ASN Chi-restraints excluded: chain E residue 112 MET Chi-restraints excluded: chain E residue 116 CYS Chi-restraints excluded: chain E residue 124 VAL Chi-restraints excluded: chain E residue 147 THR Chi-restraints excluded: chain E residue 182 SER Chi-restraints excluded: chain E residue 186 LEU Chi-restraints excluded: chain E residue 191 SER Chi-restraints excluded: chain E residue 207 LYS Chi-restraints excluded: chain E residue 239 VAL Chi-restraints excluded: chain E residue 260 VAL Chi-restraints excluded: chain E residue 313 SER Chi-restraints excluded: chain E residue 353 VAL Chi-restraints excluded: chain F residue 61 ARG Chi-restraints excluded: chain F residue 80 MET Chi-restraints excluded: chain F residue 87 VAL Chi-restraints excluded: chain F residue 112 MET Chi-restraints excluded: chain F residue 147 THR Chi-restraints excluded: chain F residue 176 THR Chi-restraints excluded: chain F residue 239 VAL Chi-restraints excluded: chain F residue 258 ILE Chi-restraints excluded: chain F residue 260 VAL Chi-restraints excluded: chain F residue 284 GLN Chi-restraints excluded: chain F residue 292 THR Chi-restraints excluded: chain F residue 340 LYS Chi-restraints excluded: chain G residue 112 MET Chi-restraints excluded: chain G residue 116 CYS Chi-restraints excluded: chain G residue 124 VAL Chi-restraints excluded: chain G residue 182 SER Chi-restraints excluded: chain G residue 186 LEU Chi-restraints excluded: chain G residue 207 LYS Chi-restraints excluded: chain G residue 239 VAL Chi-restraints excluded: chain G residue 260 VAL Chi-restraints excluded: chain G residue 313 SER Chi-restraints excluded: chain G residue 353 VAL Chi-restraints excluded: chain H residue 57 MET Chi-restraints excluded: chain H residue 61 ARG Chi-restraints excluded: chain H residue 92 CYS Chi-restraints excluded: chain H residue 124 VAL Chi-restraints excluded: chain H residue 129 SER Chi-restraints excluded: chain H residue 182 SER Chi-restraints excluded: chain H residue 239 VAL Chi-restraints excluded: chain H residue 260 VAL Chi-restraints excluded: chain H residue 284 GLN Chi-restraints excluded: chain H residue 317 ASN Chi-restraints excluded: chain I residue 176 THR Chi-restraints excluded: chain I residue 191 SER Chi-restraints excluded: chain I residue 207 LYS Chi-restraints excluded: chain I residue 232 SER Chi-restraints excluded: chain I residue 239 VAL Chi-restraints excluded: chain I residue 243 ASN Chi-restraints excluded: chain I residue 260 VAL Chi-restraints excluded: chain I residue 313 SER Chi-restraints excluded: chain I residue 317 ASN Chi-restraints excluded: chain I residue 350 CYS Chi-restraints excluded: chain J residue 57 MET Chi-restraints excluded: chain J residue 61 ARG Chi-restraints excluded: chain J residue 123 LYS Chi-restraints excluded: chain J residue 129 SER Chi-restraints excluded: chain J residue 147 THR Chi-restraints excluded: chain J residue 176 THR Chi-restraints excluded: chain J residue 232 SER Chi-restraints excluded: chain J residue 239 VAL Chi-restraints excluded: chain J residue 254 THR Chi-restraints excluded: chain J residue 260 VAL Chi-restraints excluded: chain J residue 284 GLN Chi-restraints excluded: chain J residue 350 CYS Chi-restraints excluded: chain K residue 176 THR Chi-restraints excluded: chain K residue 191 SER Chi-restraints excluded: chain K residue 232 SER Chi-restraints excluded: chain K residue 239 VAL Chi-restraints excluded: chain K residue 243 ASN Chi-restraints excluded: chain K residue 260 VAL Chi-restraints excluded: chain K residue 317 ASN Chi-restraints excluded: chain L residue 57 MET Chi-restraints excluded: chain L residue 61 ARG Chi-restraints excluded: chain L residue 129 SER Chi-restraints excluded: chain L residue 147 THR Chi-restraints excluded: chain L residue 176 THR Chi-restraints excluded: chain L residue 232 SER Chi-restraints excluded: chain L residue 239 VAL Chi-restraints excluded: chain L residue 254 THR Chi-restraints excluded: chain L residue 260 VAL Chi-restraints excluded: chain L residue 284 GLN Chi-restraints excluded: chain L residue 313 SER Chi-restraints excluded: chain L residue 317 ASN Chi-restraints excluded: chain L residue 350 CYS Chi-restraints excluded: chain M residue 48 GLN Chi-restraints excluded: chain M residue 112 MET Chi-restraints excluded: chain M residue 116 CYS Chi-restraints excluded: chain M residue 124 VAL Chi-restraints excluded: chain M residue 147 THR Chi-restraints excluded: chain M residue 182 SER Chi-restraints excluded: chain M residue 186 LEU Chi-restraints excluded: chain M residue 207 LYS Chi-restraints excluded: chain M residue 239 VAL Chi-restraints excluded: chain M residue 260 VAL Chi-restraints excluded: chain M residue 318 LEU Chi-restraints excluded: chain M residue 353 VAL Chi-restraints excluded: chain N residue 57 MET Chi-restraints excluded: chain N residue 61 ARG Chi-restraints excluded: chain N residue 92 CYS Chi-restraints excluded: chain N residue 124 VAL Chi-restraints excluded: chain N residue 129 SER Chi-restraints excluded: chain N residue 191 SER Chi-restraints excluded: chain N residue 239 VAL Chi-restraints excluded: chain N residue 284 GLN Chi-restraints excluded: chain N residue 317 ASN Chi-restraints excluded: chain N residue 318 LEU Chi-restraints excluded: chain O residue 61 ARG Chi-restraints excluded: chain O residue 112 MET Chi-restraints excluded: chain O residue 116 CYS Chi-restraints excluded: chain O residue 124 VAL Chi-restraints excluded: chain O residue 147 THR Chi-restraints excluded: chain O residue 182 SER Chi-restraints excluded: chain O residue 186 LEU Chi-restraints excluded: chain O residue 207 LYS Chi-restraints excluded: chain O residue 239 VAL Chi-restraints excluded: chain O residue 246 MET Chi-restraints excluded: chain O residue 260 VAL Chi-restraints excluded: chain O residue 284 GLN Chi-restraints excluded: chain O residue 318 LEU Chi-restraints excluded: chain P residue 57 MET Chi-restraints excluded: chain P residue 61 ARG Chi-restraints excluded: chain P residue 92 CYS Chi-restraints excluded: chain P residue 124 VAL Chi-restraints excluded: chain P residue 129 SER Chi-restraints excluded: chain P residue 182 SER Chi-restraints excluded: chain P residue 239 VAL Chi-restraints excluded: chain P residue 284 GLN Chi-restraints excluded: chain P residue 317 ASN Chi-restraints excluded: chain P residue 364 MET Chi-restraints excluded: chain Q residue 176 THR Chi-restraints excluded: chain Q residue 191 SER Chi-restraints excluded: chain Q residue 207 LYS Chi-restraints excluded: chain Q residue 232 SER Chi-restraints excluded: chain Q residue 239 VAL Chi-restraints excluded: chain Q residue 243 ASN Chi-restraints excluded: chain Q residue 260 VAL Chi-restraints excluded: chain Q residue 313 SER Chi-restraints excluded: chain Q residue 317 ASN Chi-restraints excluded: chain Q residue 350 CYS Chi-restraints excluded: chain R residue 57 MET Chi-restraints excluded: chain R residue 61 ARG Chi-restraints excluded: chain R residue 129 SER Chi-restraints excluded: chain R residue 147 THR Chi-restraints excluded: chain R residue 176 THR Chi-restraints excluded: chain R residue 191 SER Chi-restraints excluded: chain R residue 232 SER Chi-restraints excluded: chain R residue 239 VAL Chi-restraints excluded: chain R residue 254 THR Chi-restraints excluded: chain R residue 260 VAL Chi-restraints excluded: chain R residue 284 GLN Chi-restraints excluded: chain R residue 313 SER Chi-restraints excluded: chain R residue 317 ASN Chi-restraints excluded: chain R residue 350 CYS Chi-restraints excluded: chain S residue 57 MET Chi-restraints excluded: chain S residue 61 ARG Chi-restraints excluded: chain S residue 129 SER Chi-restraints excluded: chain S residue 147 THR Chi-restraints excluded: chain S residue 176 THR Chi-restraints excluded: chain S residue 232 SER Chi-restraints excluded: chain S residue 236 ASN Chi-restraints excluded: chain S residue 239 VAL Chi-restraints excluded: chain S residue 254 THR Chi-restraints excluded: chain S residue 260 VAL Chi-restraints excluded: chain S residue 284 GLN Chi-restraints excluded: chain S residue 317 ASN Chi-restraints excluded: chain S residue 350 CYS Chi-restraints excluded: chain T residue 176 THR Chi-restraints excluded: chain T residue 191 SER Chi-restraints excluded: chain T residue 232 SER Chi-restraints excluded: chain T residue 239 VAL Chi-restraints excluded: chain T residue 243 ASN Chi-restraints excluded: chain T residue 260 VAL Chi-restraints excluded: chain T residue 317 ASN Chi-restraints excluded: chain U residue 57 MET Chi-restraints excluded: chain U residue 61 ARG Chi-restraints excluded: chain U residue 123 LYS Chi-restraints excluded: chain U residue 129 SER Chi-restraints excluded: chain U residue 147 THR Chi-restraints excluded: chain U residue 176 THR Chi-restraints excluded: chain U residue 232 SER Chi-restraints excluded: chain U residue 239 VAL Chi-restraints excluded: chain U residue 254 THR Chi-restraints excluded: chain U residue 260 VAL Chi-restraints excluded: chain U residue 284 GLN Chi-restraints excluded: chain U residue 313 SER Chi-restraints excluded: chain U residue 350 CYS Chi-restraints excluded: chain V residue 176 THR Chi-restraints excluded: chain V residue 191 SER Chi-restraints excluded: chain V residue 232 SER Chi-restraints excluded: chain V residue 239 VAL Chi-restraints excluded: chain V residue 243 ASN Chi-restraints excluded: chain V residue 260 VAL Chi-restraints excluded: chain V residue 317 ASN Chi-restraints excluded: chain V residue 350 CYS Chi-restraints excluded: chain W residue 57 MET Chi-restraints excluded: chain W residue 61 ARG Chi-restraints excluded: chain W residue 92 CYS Chi-restraints excluded: chain W residue 124 VAL Chi-restraints excluded: chain W residue 129 SER Chi-restraints excluded: chain W residue 182 SER Chi-restraints excluded: chain W residue 191 SER Chi-restraints excluded: chain W residue 239 VAL Chi-restraints excluded: chain W residue 260 VAL Chi-restraints excluded: chain W residue 284 GLN Chi-restraints excluded: chain W residue 317 ASN Chi-restraints excluded: chain W residue 318 LEU Chi-restraints excluded: chain X residue 112 MET Chi-restraints excluded: chain X residue 116 CYS Chi-restraints excluded: chain X residue 124 VAL Chi-restraints excluded: chain X residue 147 THR Chi-restraints excluded: chain X residue 186 LEU Chi-restraints excluded: chain X residue 207 LYS Chi-restraints excluded: chain X residue 239 VAL Chi-restraints excluded: chain X residue 246 MET Chi-restraints excluded: chain X residue 260 VAL Chi-restraints excluded: chain X residue 318 LEU Chi-restraints excluded: chain X residue 353 VAL Chi-restraints excluded: chain Y residue 57 MET Chi-restraints excluded: chain Y residue 61 ARG Chi-restraints excluded: chain Y residue 92 CYS Chi-restraints excluded: chain Y residue 124 VAL Chi-restraints excluded: chain Y residue 129 SER Chi-restraints excluded: chain Y residue 182 SER Chi-restraints excluded: chain Y residue 191 SER Chi-restraints excluded: chain Y residue 239 VAL Chi-restraints excluded: chain Y residue 284 GLN Chi-restraints excluded: chain Y residue 317 ASN Chi-restraints excluded: chain Z residue 61 ARG Chi-restraints excluded: chain Z residue 112 MET Chi-restraints excluded: chain Z residue 116 CYS Chi-restraints excluded: chain Z residue 124 VAL Chi-restraints excluded: chain Z residue 147 THR Chi-restraints excluded: chain Z residue 186 LEU Chi-restraints excluded: chain Z residue 207 LYS Chi-restraints excluded: chain Z residue 239 VAL Chi-restraints excluded: chain Z residue 260 VAL Chi-restraints excluded: chain Z residue 284 GLN Chi-restraints excluded: chain Z residue 318 LEU Chi-restraints excluded: chain 8 residue 61 ARG Chi-restraints excluded: chain 8 residue 80 MET Chi-restraints excluded: chain 8 residue 85 TRP Chi-restraints excluded: chain 8 residue 87 VAL Chi-restraints excluded: chain 8 residue 112 MET Chi-restraints excluded: chain 8 residue 135 SER Chi-restraints excluded: chain 8 residue 176 THR Chi-restraints excluded: chain 8 residue 232 SER Chi-restraints excluded: chain 8 residue 239 VAL Chi-restraints excluded: chain 8 residue 258 ILE Chi-restraints excluded: chain 8 residue 260 VAL Chi-restraints excluded: chain 8 residue 284 GLN Chi-restraints excluded: chain 8 residue 313 SER Chi-restraints excluded: chain 7 residue 61 ARG Chi-restraints excluded: chain 7 residue 85 TRP Chi-restraints excluded: chain 7 residue 87 VAL Chi-restraints excluded: chain 7 residue 112 MET Chi-restraints excluded: chain 7 residue 176 THR Chi-restraints excluded: chain 7 residue 182 SER Chi-restraints excluded: chain 7 residue 232 SER Chi-restraints excluded: chain 7 residue 239 VAL Chi-restraints excluded: chain 7 residue 258 ILE Chi-restraints excluded: chain 7 residue 260 VAL Chi-restraints excluded: chain 7 residue 284 GLN Chi-restraints excluded: chain 7 residue 292 THR Chi-restraints excluded: chain 6 residue 61 ARG Chi-restraints excluded: chain 6 residue 80 MET Chi-restraints excluded: chain 6 residue 85 TRP Chi-restraints excluded: chain 6 residue 87 VAL Chi-restraints excluded: chain 6 residue 112 MET Chi-restraints excluded: chain 6 residue 135 SER Chi-restraints excluded: chain 6 residue 176 THR Chi-restraints excluded: chain 6 residue 182 SER Chi-restraints excluded: chain 6 residue 239 VAL Chi-restraints excluded: chain 6 residue 247 ASN Chi-restraints excluded: chain 6 residue 258 ILE Chi-restraints excluded: chain 6 residue 260 VAL Chi-restraints excluded: chain 6 residue 284 GLN Chi-restraints excluded: chain 6 residue 292 THR Chi-restraints excluded: chain 6 residue 313 SER Chi-restraints excluded: chain 5 residue 61 ARG Chi-restraints excluded: chain 5 residue 80 MET Chi-restraints excluded: chain 5 residue 85 TRP Chi-restraints excluded: chain 5 residue 87 VAL Chi-restraints excluded: chain 5 residue 112 MET Chi-restraints excluded: chain 5 residue 135 SER Chi-restraints excluded: chain 5 residue 176 THR Chi-restraints excluded: chain 5 residue 191 SER Chi-restraints excluded: chain 5 residue 232 SER Chi-restraints excluded: chain 5 residue 239 VAL Chi-restraints excluded: chain 5 residue 258 ILE Chi-restraints excluded: chain 5 residue 260 VAL Chi-restraints excluded: chain 5 residue 284 GLN Chi-restraints excluded: chain 4 residue 61 ARG Chi-restraints excluded: chain 4 residue 87 VAL Chi-restraints excluded: chain 4 residue 112 MET Chi-restraints excluded: chain 4 residue 135 SER Chi-restraints excluded: chain 4 residue 176 THR Chi-restraints excluded: chain 4 residue 191 SER Chi-restraints excluded: chain 4 residue 232 SER Chi-restraints excluded: chain 4 residue 239 VAL Chi-restraints excluded: chain 4 residue 258 ILE Chi-restraints excluded: chain 4 residue 260 VAL Chi-restraints excluded: chain 4 residue 284 GLN Chi-restraints excluded: chain 4 residue 340 LYS Chi-restraints excluded: chain 3 residue 61 ARG Chi-restraints excluded: chain 3 residue 80 MET Chi-restraints excluded: chain 3 residue 87 VAL Chi-restraints excluded: chain 3 residue 112 MET Chi-restraints excluded: chain 3 residue 147 THR Chi-restraints excluded: chain 3 residue 176 THR Chi-restraints excluded: chain 3 residue 232 SER Chi-restraints excluded: chain 3 residue 239 VAL Chi-restraints excluded: chain 3 residue 247 ASN Chi-restraints excluded: chain 3 residue 258 ILE Chi-restraints excluded: chain 3 residue 260 VAL Chi-restraints excluded: chain 3 residue 284 GLN Chi-restraints excluded: chain a residue 176 THR Chi-restraints excluded: chain a residue 191 SER Chi-restraints excluded: chain a residue 232 SER Chi-restraints excluded: chain a residue 239 VAL Chi-restraints excluded: chain a residue 243 ASN Chi-restraints excluded: chain a residue 260 VAL Chi-restraints excluded: chain a residue 317 ASN Chi-restraints excluded: chain a residue 350 CYS Chi-restraints excluded: chain b residue 48 GLN Chi-restraints excluded: chain b residue 112 MET Chi-restraints excluded: chain b residue 116 CYS Chi-restraints excluded: chain b residue 124 VAL Chi-restraints excluded: chain b residue 147 THR Chi-restraints excluded: chain b residue 182 SER Chi-restraints excluded: chain b residue 186 LEU Chi-restraints excluded: chain b residue 207 LYS Chi-restraints excluded: chain b residue 239 VAL Chi-restraints excluded: chain b residue 260 VAL Chi-restraints excluded: chain b residue 284 GLN Chi-restraints excluded: chain b residue 318 LEU Chi-restraints excluded: chain b residue 353 VAL Chi-restraints excluded: chain c residue 57 MET Chi-restraints excluded: chain c residue 61 ARG Chi-restraints excluded: chain c residue 124 VAL Chi-restraints excluded: chain c residue 129 SER Chi-restraints excluded: chain c residue 191 SER Chi-restraints excluded: chain c residue 239 VAL Chi-restraints excluded: chain c residue 284 GLN Chi-restraints excluded: chain c residue 317 ASN Chi-restraints excluded: chain c residue 318 LEU Chi-restraints excluded: chain d residue 57 MET Chi-restraints excluded: chain d residue 61 ARG Chi-restraints excluded: chain d residue 92 CYS Chi-restraints excluded: chain d residue 124 VAL Chi-restraints excluded: chain d residue 129 SER Chi-restraints excluded: chain d residue 182 SER Chi-restraints excluded: chain d residue 239 VAL Chi-restraints excluded: chain d residue 284 GLN Chi-restraints excluded: chain d residue 317 ASN Chi-restraints excluded: chain e residue 57 MET Chi-restraints excluded: chain e residue 61 ARG Chi-restraints excluded: chain e residue 92 CYS Chi-restraints excluded: chain e residue 124 VAL Chi-restraints excluded: chain e residue 129 SER Chi-restraints excluded: chain e residue 191 SER Chi-restraints excluded: chain e residue 239 VAL Chi-restraints excluded: chain e residue 284 GLN Chi-restraints excluded: chain e residue 317 ASN Chi-restraints excluded: chain f residue 61 ARG Chi-restraints excluded: chain f residue 112 MET Chi-restraints excluded: chain f residue 116 CYS Chi-restraints excluded: chain f residue 124 VAL Chi-restraints excluded: chain f residue 147 THR Chi-restraints excluded: chain f residue 186 LEU Chi-restraints excluded: chain f residue 207 LYS Chi-restraints excluded: chain f residue 239 VAL Chi-restraints excluded: chain f residue 260 VAL Chi-restraints excluded: chain f residue 318 LEU Chi-restraints excluded: chain f residue 353 VAL Chi-restraints excluded: chain g residue 176 THR Chi-restraints excluded: chain g residue 191 SER Chi-restraints excluded: chain g residue 232 SER Chi-restraints excluded: chain g residue 239 VAL Chi-restraints excluded: chain g residue 243 ASN Chi-restraints excluded: chain g residue 260 VAL Chi-restraints excluded: chain g residue 317 ASN Chi-restraints excluded: chain h residue 61 ARG Chi-restraints excluded: chain h residue 87 VAL Chi-restraints excluded: chain h residue 112 MET Chi-restraints excluded: chain h residue 135 SER Chi-restraints excluded: chain h residue 176 THR Chi-restraints excluded: chain h residue 191 SER Chi-restraints excluded: chain h residue 232 SER Chi-restraints excluded: chain h residue 239 VAL Chi-restraints excluded: chain h residue 258 ILE Chi-restraints excluded: chain h residue 260 VAL Chi-restraints excluded: chain h residue 284 GLN Chi-restraints excluded: chain h residue 313 SER Chi-restraints excluded: chain i residue 48 GLN Chi-restraints excluded: chain i residue 112 MET Chi-restraints excluded: chain i residue 116 CYS Chi-restraints excluded: chain i residue 124 VAL Chi-restraints excluded: chain i residue 147 THR Chi-restraints excluded: chain i residue 182 SER Chi-restraints excluded: chain i residue 186 LEU Chi-restraints excluded: chain i residue 207 LYS Chi-restraints excluded: chain i residue 239 VAL Chi-restraints excluded: chain i residue 246 MET Chi-restraints excluded: chain i residue 260 VAL Chi-restraints excluded: chain i residue 284 GLN Chi-restraints excluded: chain i residue 318 LEU Chi-restraints excluded: chain i residue 353 VAL Chi-restraints excluded: chain j residue 176 THR Chi-restraints excluded: chain j residue 191 SER Chi-restraints excluded: chain j residue 232 SER Chi-restraints excluded: chain j residue 239 VAL Chi-restraints excluded: chain j residue 243 ASN Chi-restraints excluded: chain j residue 260 VAL Chi-restraints excluded: chain j residue 317 ASN Chi-restraints excluded: chain j residue 350 CYS Chi-restraints excluded: chain k residue 57 MET Chi-restraints excluded: chain k residue 61 ARG Chi-restraints excluded: chain k residue 129 SER Chi-restraints excluded: chain k residue 147 THR Chi-restraints excluded: chain k residue 176 THR Chi-restraints excluded: chain k residue 191 SER Chi-restraints excluded: chain k residue 232 SER Chi-restraints excluded: chain k residue 239 VAL Chi-restraints excluded: chain k residue 254 THR Chi-restraints excluded: chain k residue 260 VAL Chi-restraints excluded: chain k residue 284 GLN Chi-restraints excluded: chain k residue 313 SER Chi-restraints excluded: chain k residue 317 ASN Chi-restraints excluded: chain k residue 350 CYS Chi-restraints excluded: chain l residue 57 MET Chi-restraints excluded: chain l residue 61 ARG Chi-restraints excluded: chain l residue 123 LYS Chi-restraints excluded: chain l residue 129 SER Chi-restraints excluded: chain l residue 147 THR Chi-restraints excluded: chain l residue 176 THR Chi-restraints excluded: chain l residue 239 VAL Chi-restraints excluded: chain l residue 254 THR Chi-restraints excluded: chain l residue 260 VAL Chi-restraints excluded: chain l residue 284 GLN Chi-restraints excluded: chain l residue 350 CYS Chi-restraints excluded: chain m residue 57 MET Chi-restraints excluded: chain m residue 61 ARG Chi-restraints excluded: chain m residue 123 LYS Chi-restraints excluded: chain m residue 129 SER Chi-restraints excluded: chain m residue 147 THR Chi-restraints excluded: chain m residue 176 THR Chi-restraints excluded: chain m residue 191 SER Chi-restraints excluded: chain m residue 232 SER Chi-restraints excluded: chain m residue 239 VAL Chi-restraints excluded: chain m residue 254 THR Chi-restraints excluded: chain m residue 260 VAL Chi-restraints excluded: chain m residue 284 GLN Chi-restraints excluded: chain m residue 317 ASN Chi-restraints excluded: chain m residue 350 CYS Chi-restraints excluded: chain n residue 112 MET Chi-restraints excluded: chain n residue 116 CYS Chi-restraints excluded: chain n residue 124 VAL Chi-restraints excluded: chain n residue 147 THR Chi-restraints excluded: chain n residue 186 LEU Chi-restraints excluded: chain n residue 207 LYS Chi-restraints excluded: chain n residue 239 VAL Chi-restraints excluded: chain n residue 260 VAL Chi-restraints excluded: chain n residue 313 SER Chi-restraints excluded: chain n residue 353 VAL Chi-restraints excluded: chain o residue 176 THR Chi-restraints excluded: chain o residue 191 SER Chi-restraints excluded: chain o residue 207 LYS Chi-restraints excluded: chain o residue 232 SER Chi-restraints excluded: chain o residue 239 VAL Chi-restraints excluded: chain o residue 243 ASN Chi-restraints excluded: chain o residue 260 VAL Chi-restraints excluded: chain o residue 313 SER Chi-restraints excluded: chain o residue 317 ASN Chi-restraints excluded: chain o residue 350 CYS Chi-restraints excluded: chain p residue 61 ARG Chi-restraints excluded: chain p residue 85 TRP Chi-restraints excluded: chain p residue 87 VAL Chi-restraints excluded: chain p residue 112 MET Chi-restraints excluded: chain p residue 176 THR Chi-restraints excluded: chain p residue 191 SER Chi-restraints excluded: chain p residue 232 SER Chi-restraints excluded: chain p residue 239 VAL Chi-restraints excluded: chain p residue 258 ILE Chi-restraints excluded: chain p residue 260 VAL Chi-restraints excluded: chain p residue 284 GLN Chi-restraints excluded: chain p residue 292 THR Chi-restraints excluded: chain p residue 340 LYS Chi-restraints excluded: chain q residue 112 MET Chi-restraints excluded: chain q residue 116 CYS Chi-restraints excluded: chain q residue 124 VAL Chi-restraints excluded: chain q residue 147 THR Chi-restraints excluded: chain q residue 186 LEU Chi-restraints excluded: chain q residue 207 LYS Chi-restraints excluded: chain q residue 239 VAL Chi-restraints excluded: chain q residue 260 VAL Chi-restraints excluded: chain q residue 313 SER Chi-restraints excluded: chain q residue 353 VAL Chi-restraints excluded: chain r residue 176 THR Chi-restraints excluded: chain r residue 191 SER Chi-restraints excluded: chain r residue 207 LYS Chi-restraints excluded: chain r residue 232 SER Chi-restraints excluded: chain r residue 239 VAL Chi-restraints excluded: chain r residue 243 ASN Chi-restraints excluded: chain r residue 260 VAL Chi-restraints excluded: chain r residue 317 ASN Chi-restraints excluded: chain r residue 350 CYS Chi-restraints excluded: chain s residue 61 ARG Chi-restraints excluded: chain s residue 85 TRP Chi-restraints excluded: chain s residue 87 VAL Chi-restraints excluded: chain s residue 112 MET Chi-restraints excluded: chain s residue 135 SER Chi-restraints excluded: chain s residue 176 THR Chi-restraints excluded: chain s residue 182 SER Chi-restraints excluded: chain s residue 191 SER Chi-restraints excluded: chain s residue 239 VAL Chi-restraints excluded: chain s residue 259 ASN Chi-restraints excluded: chain s residue 260 VAL Chi-restraints excluded: chain s residue 284 GLN Chi-restraints excluded: chain s residue 340 LYS Chi-restraints excluded: chain t residue 57 MET Chi-restraints excluded: chain t residue 61 ARG Chi-restraints excluded: chain t residue 129 SER Chi-restraints excluded: chain t residue 147 THR Chi-restraints excluded: chain t residue 176 THR Chi-restraints excluded: chain t residue 191 SER Chi-restraints excluded: chain t residue 232 SER Chi-restraints excluded: chain t residue 239 VAL Chi-restraints excluded: chain t residue 259 ASN Chi-restraints excluded: chain t residue 260 VAL Chi-restraints excluded: chain t residue 284 GLN Chi-restraints excluded: chain t residue 350 CYS Chi-restraints excluded: chain u residue 57 MET Chi-restraints excluded: chain u residue 61 ARG Chi-restraints excluded: chain u residue 123 LYS Chi-restraints excluded: chain u residue 129 SER Chi-restraints excluded: chain u residue 147 THR Chi-restraints excluded: chain u residue 176 THR Chi-restraints excluded: chain u residue 191 SER Chi-restraints excluded: chain u residue 232 SER Chi-restraints excluded: chain u residue 239 VAL Chi-restraints excluded: chain u residue 254 THR Chi-restraints excluded: chain u residue 260 VAL Chi-restraints excluded: chain u residue 284 GLN Chi-restraints excluded: chain u residue 313 SER Chi-restraints excluded: chain u residue 317 ASN Chi-restraints excluded: chain u residue 350 CYS Chi-restraints excluded: chain v residue 57 MET Chi-restraints excluded: chain v residue 61 ARG Chi-restraints excluded: chain v residue 129 SER Chi-restraints excluded: chain v residue 147 THR Chi-restraints excluded: chain v residue 176 THR Chi-restraints excluded: chain v residue 239 VAL Chi-restraints excluded: chain v residue 254 THR Chi-restraints excluded: chain v residue 260 VAL Chi-restraints excluded: chain v residue 284 GLN Chi-restraints excluded: chain v residue 313 SER Chi-restraints excluded: chain v residue 350 CYS Chi-restraints excluded: chain w residue 61 ARG Chi-restraints excluded: chain w residue 87 VAL Chi-restraints excluded: chain w residue 112 MET Chi-restraints excluded: chain w residue 135 SER Chi-restraints excluded: chain w residue 176 THR Chi-restraints excluded: chain w residue 191 SER Chi-restraints excluded: chain w residue 232 SER Chi-restraints excluded: chain w residue 239 VAL Chi-restraints excluded: chain w residue 258 ILE Chi-restraints excluded: chain w residue 260 VAL Chi-restraints excluded: chain w residue 284 GLN Chi-restraints excluded: chain x residue 176 THR Chi-restraints excluded: chain x residue 191 SER Chi-restraints excluded: chain x residue 232 SER Chi-restraints excluded: chain x residue 239 VAL Chi-restraints excluded: chain x residue 243 ASN Chi-restraints excluded: chain x residue 260 VAL Chi-restraints excluded: chain x residue 317 ASN Chi-restraints excluded: chain y residue 57 MET Chi-restraints excluded: chain y residue 61 ARG Chi-restraints excluded: chain y residue 92 CYS Chi-restraints excluded: chain y residue 124 VAL Chi-restraints excluded: chain y residue 129 SER Chi-restraints excluded: chain y residue 182 SER Chi-restraints excluded: chain y residue 239 VAL Chi-restraints excluded: chain y residue 284 GLN Chi-restraints excluded: chain y residue 317 ASN Chi-restraints excluded: chain z residue 57 MET Chi-restraints excluded: chain z residue 61 ARG Chi-restraints excluded: chain z residue 92 CYS Chi-restraints excluded: chain z residue 124 VAL Chi-restraints excluded: chain z residue 129 SER Chi-restraints excluded: chain z residue 182 SER Chi-restraints excluded: chain z residue 191 SER Chi-restraints excluded: chain z residue 239 VAL Chi-restraints excluded: chain z residue 284 GLN Chi-restraints excluded: chain z residue 317 ASN Chi-restraints excluded: chain 1 residue 57 MET Chi-restraints excluded: chain 1 residue 61 ARG Chi-restraints excluded: chain 1 residue 92 CYS Chi-restraints excluded: chain 1 residue 124 VAL Chi-restraints excluded: chain 1 residue 129 SER Chi-restraints excluded: chain 1 residue 191 SER Chi-restraints excluded: chain 1 residue 239 VAL Chi-restraints excluded: chain 1 residue 260 VAL Chi-restraints excluded: chain 1 residue 284 GLN Chi-restraints excluded: chain 1 residue 317 ASN Chi-restraints excluded: chain 2 residue 61 ARG Chi-restraints excluded: chain 2 residue 112 MET Chi-restraints excluded: chain 2 residue 116 CYS Chi-restraints excluded: chain 2 residue 124 VAL Chi-restraints excluded: chain 2 residue 147 THR Chi-restraints excluded: chain 2 residue 186 LEU Chi-restraints excluded: chain 2 residue 239 VAL Chi-restraints excluded: chain 2 residue 260 VAL Chi-restraints excluded: chain 2 residue 284 GLN Chi-restraints excluded: chain 2 residue 318 LEU Chi-restraints excluded: chain 2 residue 353 VAL Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1980 random chunks: chunk 1736 optimal weight: 0.9990 chunk 1828 optimal weight: 3.9990 chunk 1668 optimal weight: 9.9990 chunk 1778 optimal weight: 6.9990 chunk 1827 optimal weight: 0.7980 chunk 1070 optimal weight: 8.9990 chunk 774 optimal weight: 2.9990 chunk 1396 optimal weight: 5.9990 chunk 545 optimal weight: 7.9990 chunk 1607 optimal weight: 7.9990 chunk 1681 optimal weight: 5.9990 overall best weight: 2.9588 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 164 GLN ** A 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 319 ASN B 236 ASN ** B 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 345 GLN B 368 HIS C 68 ASN C 236 ASN C 284 GLN C 328 GLN ** D 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 213 GLN ** D 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 259 ASN ** D 319 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 259 ASN ** E 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 319 ASN ** G 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 259 ASN ** G 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 213 GLN ** H 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 259 ASN ** H 319 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 68 ASN ** I 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 236 ASN I 284 GLN I 319 ASN ** J 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 368 HIS K 68 ASN K 284 GLN ** L 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 345 GLN L 368 HIS ** M 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 259 ASN ** M 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 213 GLN ** N 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 259 ASN ** N 319 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 259 ASN ** O 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 259 ASN ** P 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 328 GLN Q 68 ASN ** Q 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 284 GLN Q 342 ASN ** R 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 368 HIS S 236 ASN ** S 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 368 HIS T 68 ASN T 236 ASN T 284 GLN ** U 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 345 GLN U 368 HIS V 68 ASN V 284 GLN ** W 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 213 GLN ** W 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 259 ASN ** W 319 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 328 GLN X 68 ASN ** X 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 259 ASN ** X 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 213 GLN Y 236 ASN ** Y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 259 ASN Y 319 ASN ** Y 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 259 ASN ** Z 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 319 ASN ** 7 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 319 ASN 7 345 GLN ** 6 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 319 ASN ** 6 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 345 GLN ** 5 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 319 ASN ** 5 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 319 ASN ** 4 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 319 ASN ** 3 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 345 GLN a 68 ASN a 284 GLN a 319 ASN ** b 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 259 ASN ** b 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 259 ASN c 319 ASN ** c 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 328 GLN ** d 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 213 GLN ** d 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 259 ASN ** d 319 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 328 GLN ** e 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 213 GLN ** e 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 259 ASN e 319 ASN ** f 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 259 ASN ** f 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 68 ASN g 284 GLN g 328 GLN ** h 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 319 ASN ** h 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** i 259 ASN ** i 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 68 ASN j 236 ASN j 284 GLN k 236 ASN ** k 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 368 HIS ** l 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 368 HIS ** m 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 345 GLN m 368 HIS ** n 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 259 ASN ** n 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 68 ASN ** o 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 236 ASN o 284 GLN ** p 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 319 ASN ** p 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 68 ASN ** q 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 259 ASN ** q 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 68 ASN ** r 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 236 ASN r 284 GLN ** s 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 259 ASN s 319 ASN t 236 ASN ** t 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 345 GLN t 368 HIS ** u 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 345 GLN u 368 HIS ** v 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 368 HIS ** w 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 319 ASN x 68 ASN x 236 ASN x 284 GLN ** y 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 213 GLN ** y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 259 ASN ** y 319 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 328 GLN ** z 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 213 GLN ** z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 259 ASN z 319 ASN ** z 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 328 GLN ** 1 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 259 ASN 1 319 ASN ** 1 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 259 ASN ** 2 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 122 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8569 moved from start: 0.3403 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.006 0.061 161760 Z= 0.425 Angle : 0.646 6.897 220140 Z= 0.348 Chirality : 0.053 0.194 24060 Planarity : 0.004 0.037 28500 Dihedral : 5.821 21.270 21660 Min Nonbonded Distance : 2.075 Molprobity Statistics. All-atom Clashscore : 16.21 Ramachandran Plot: Outliers : 0.00 % Allowed : 6.33 % Favored : 93.67 % Rotamer: Outliers : 5.25 % Allowed : 17.48 % Favored : 77.27 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.33 (0.06), residues: 19920 helix: -2.88 (0.13), residues: 1200 sheet: -0.54 (0.07), residues: 5820 loop : -0.83 (0.05), residues: 12900 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.020 0.002 TRP L 211 HIS 0.008 0.001 HIS G 159 PHE 0.035 0.003 PHE C 366 TYR 0.015 0.002 TYR y 110 ARG 0.005 0.001 ARG W 120 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 39840 Ramachandran restraints generated. 19920 Oldfield, 0 Emsley, 19920 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 39840 Ramachandran restraints generated. 19920 Oldfield, 0 Emsley, 19920 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3345 residues out of total 17520 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 920 poor density : 2425 time to evaluate : 11.833 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: A 284 GLN cc_start: 0.8461 (OUTLIER) cc_final: 0.8045 (mp10) REVERT: B 236 ASN cc_start: 0.8529 (OUTLIER) cc_final: 0.8280 (p0) REVERT: B 338 GLU cc_start: 0.7532 (OUTLIER) cc_final: 0.6541 (mp0) REVERT: C 80 MET cc_start: 0.9236 (ptt) cc_final: 0.8793 (ptt) REVERT: C 88 MET cc_start: 0.9084 (mmm) cc_final: 0.8789 (mmm) REVERT: C 236 ASN cc_start: 0.8568 (OUTLIER) cc_final: 0.8149 (p0) REVERT: D 61 ARG cc_start: 0.8113 (OUTLIER) cc_final: 0.7801 (mtt90) REVERT: D 92 CYS cc_start: 0.8217 (OUTLIER) cc_final: 0.7973 (p) REVERT: D 284 GLN cc_start: 0.8596 (OUTLIER) cc_final: 0.7980 (mp10) REVERT: E 61 ARG cc_start: 0.8089 (OUTLIER) cc_final: 0.7565 (ttm110) REVERT: E 80 MET cc_start: 0.9236 (OUTLIER) cc_final: 0.8869 (ptt) REVERT: E 284 GLN cc_start: 0.8591 (OUTLIER) cc_final: 0.8050 (mp10) REVERT: F 284 GLN cc_start: 0.8465 (OUTLIER) cc_final: 0.8065 (mp10) REVERT: G 61 ARG cc_start: 0.8090 (OUTLIER) cc_final: 0.7568 (ttm110) REVERT: G 284 GLN cc_start: 0.8513 (OUTLIER) cc_final: 0.7967 (mp10) REVERT: H 61 ARG cc_start: 0.8090 (OUTLIER) cc_final: 0.7777 (mtt90) REVERT: H 284 GLN cc_start: 0.8610 (OUTLIER) cc_final: 0.7990 (mp10) REVERT: I 80 MET cc_start: 0.9274 (ptt) cc_final: 0.8726 (ptt) REVERT: I 88 MET cc_start: 0.9084 (mmm) cc_final: 0.8793 (mmm) REVERT: I 207 LYS cc_start: 0.8758 (OUTLIER) cc_final: 0.8390 (mtpp) REVERT: I 236 ASN cc_start: 0.8577 (OUTLIER) cc_final: 0.8158 (p0) REVERT: J 338 GLU cc_start: 0.7529 (OUTLIER) cc_final: 0.6523 (mp0) REVERT: K 80 MET cc_start: 0.9254 (ptt) cc_final: 0.8814 (ptt) REVERT: K 88 MET cc_start: 0.9073 (mmm) cc_final: 0.8783 (mmm) REVERT: K 112 MET cc_start: 0.8653 (tmm) cc_final: 0.8414 (tmm) REVERT: L 317 ASN cc_start: 0.8555 (OUTLIER) cc_final: 0.8132 (p0) REVERT: M 61 ARG cc_start: 0.8084 (OUTLIER) cc_final: 0.7560 (ttm110) REVERT: M 284 GLN cc_start: 0.8504 (OUTLIER) cc_final: 0.7963 (mp10) REVERT: N 61 ARG cc_start: 0.8113 (OUTLIER) cc_final: 0.7804 (mtt90) REVERT: N 92 CYS cc_start: 0.8220 (OUTLIER) cc_final: 0.7967 (p) REVERT: N 284 GLN cc_start: 0.8608 (OUTLIER) cc_final: 0.8000 (mp10) REVERT: N 318 LEU cc_start: 0.9370 (OUTLIER) cc_final: 0.9155 (mt) REVERT: O 61 ARG cc_start: 0.8093 (OUTLIER) cc_final: 0.7580 (ttm110) REVERT: O 284 GLN cc_start: 0.8499 (OUTLIER) cc_final: 0.7945 (mp10) REVERT: P 61 ARG cc_start: 0.8086 (OUTLIER) cc_final: 0.7773 (mtt90) REVERT: P 92 CYS cc_start: 0.8198 (OUTLIER) cc_final: 0.7994 (p) REVERT: P 284 GLN cc_start: 0.8605 (OUTLIER) cc_final: 0.7986 (mp10) REVERT: Q 88 MET cc_start: 0.9088 (mmm) cc_final: 0.8794 (mmm) REVERT: Q 207 LYS cc_start: 0.8756 (OUTLIER) cc_final: 0.8386 (mtpp) REVERT: S 236 ASN cc_start: 0.8547 (OUTLIER) cc_final: 0.8021 (p0) REVERT: T 80 MET cc_start: 0.9251 (ptt) cc_final: 0.8810 (ptt) REVERT: T 88 MET cc_start: 0.9076 (mmm) cc_final: 0.8783 (mmm) REVERT: T 236 ASN cc_start: 0.8552 (OUTLIER) cc_final: 0.8141 (p0) REVERT: V 80 MET cc_start: 0.9239 (ptt) cc_final: 0.8802 (ptt) REVERT: V 239 VAL cc_start: 0.9150 (OUTLIER) cc_final: 0.8869 (m) REVERT: W 61 ARG cc_start: 0.8089 (OUTLIER) cc_final: 0.7780 (mtt90) REVERT: W 73 ARG cc_start: 0.9011 (OUTLIER) cc_final: 0.8061 (mtm180) REVERT: W 80 MET cc_start: 0.8765 (OUTLIER) cc_final: 0.8106 (ptt) REVERT: W 92 CYS cc_start: 0.8200 (OUTLIER) cc_final: 0.7999 (p) REVERT: W 284 GLN cc_start: 0.8595 (OUTLIER) cc_final: 0.7976 (mp10) REVERT: X 61 ARG cc_start: 0.8094 (OUTLIER) cc_final: 0.7573 (ttm110) REVERT: X 80 MET cc_start: 0.9253 (OUTLIER) cc_final: 0.8896 (ptt) REVERT: X 284 GLN cc_start: 0.8516 (OUTLIER) cc_final: 0.7988 (mp10) REVERT: Y 61 ARG cc_start: 0.8093 (OUTLIER) cc_final: 0.7781 (mtt90) REVERT: Y 80 MET cc_start: 0.8762 (OUTLIER) cc_final: 0.8101 (ptt) REVERT: Y 92 CYS cc_start: 0.8174 (OUTLIER) cc_final: 0.7969 (p) REVERT: Y 284 GLN cc_start: 0.8596 (OUTLIER) cc_final: 0.7976 (mp10) REVERT: Z 61 ARG cc_start: 0.8091 (OUTLIER) cc_final: 0.7577 (ttm110) REVERT: Z 80 MET cc_start: 0.9232 (OUTLIER) cc_final: 0.8865 (ptt) REVERT: Z 284 GLN cc_start: 0.8528 (OUTLIER) cc_final: 0.7978 (mp10) REVERT: 8 61 ARG cc_start: 0.8063 (OUTLIER) cc_final: 0.7030 (mtm180) REVERT: 8 284 GLN cc_start: 0.8477 (OUTLIER) cc_final: 0.8083 (mp10) REVERT: 8 345 GLN cc_start: 0.8355 (mt0) cc_final: 0.8154 (mt0) REVERT: 7 61 ARG cc_start: 0.8084 (OUTLIER) cc_final: 0.7003 (mtm180) REVERT: 7 284 GLN cc_start: 0.8462 (OUTLIER) cc_final: 0.8046 (mp10) REVERT: 6 284 GLN cc_start: 0.8473 (OUTLIER) cc_final: 0.8077 (mp10) REVERT: 5 61 ARG cc_start: 0.8060 (OUTLIER) cc_final: 0.7030 (mtm180) REVERT: 5 80 MET cc_start: 0.9152 (OUTLIER) cc_final: 0.8822 (pmt) REVERT: 5 284 GLN cc_start: 0.8461 (OUTLIER) cc_final: 0.8039 (mp10) REVERT: 4 80 MET cc_start: 0.9176 (ptp) cc_final: 0.8874 (pmt) REVERT: 4 284 GLN cc_start: 0.8529 (OUTLIER) cc_final: 0.8139 (mp10) REVERT: 4 345 GLN cc_start: 0.8364 (mt0) cc_final: 0.8160 (mt0) REVERT: 3 284 GLN cc_start: 0.8478 (OUTLIER) cc_final: 0.8085 (mp10) REVERT: a 80 MET cc_start: 0.9238 (ptt) cc_final: 0.8796 (ptt) REVERT: a 88 MET cc_start: 0.9077 (mmm) cc_final: 0.8789 (mmm) REVERT: b 48 GLN cc_start: 0.8757 (OUTLIER) cc_final: 0.8556 (pt0) REVERT: b 61 ARG cc_start: 0.8076 (OUTLIER) cc_final: 0.7552 (ttm110) REVERT: b 80 MET cc_start: 0.9237 (OUTLIER) cc_final: 0.8870 (ptt) REVERT: b 284 GLN cc_start: 0.8503 (OUTLIER) cc_final: 0.7943 (mp10) REVERT: c 61 ARG cc_start: 0.8138 (OUTLIER) cc_final: 0.7831 (mtt90) REVERT: c 80 MET cc_start: 0.8762 (OUTLIER) cc_final: 0.8104 (ptt) REVERT: c 284 GLN cc_start: 0.8593 (OUTLIER) cc_final: 0.7977 (mp10) REVERT: d 61 ARG cc_start: 0.8090 (OUTLIER) cc_final: 0.7777 (mtt90) REVERT: d 92 CYS cc_start: 0.8201 (OUTLIER) cc_final: 0.7995 (p) REVERT: d 284 GLN cc_start: 0.8596 (OUTLIER) cc_final: 0.7982 (mp10) REVERT: e 61 ARG cc_start: 0.8129 (OUTLIER) cc_final: 0.7831 (mtt90) REVERT: e 284 GLN cc_start: 0.8598 (OUTLIER) cc_final: 0.7951 (mp10) REVERT: f 61 ARG cc_start: 0.8082 (OUTLIER) cc_final: 0.7567 (ttm110) REVERT: f 80 MET cc_start: 0.9238 (OUTLIER) cc_final: 0.8870 (ptt) REVERT: f 284 GLN cc_start: 0.8521 (OUTLIER) cc_final: 0.7978 (mp10) REVERT: g 80 MET cc_start: 0.9257 (ptt) cc_final: 0.8830 (ptt) REVERT: g 88 MET cc_start: 0.9071 (mmm) cc_final: 0.8842 (mmm) REVERT: g 112 MET cc_start: 0.8652 (tmm) cc_final: 0.8415 (tmm) REVERT: g 183 MET cc_start: 0.9274 (OUTLIER) cc_final: 0.8939 (ttp) REVERT: g 239 VAL cc_start: 0.9127 (OUTLIER) cc_final: 0.8867 (m) REVERT: h 61 ARG cc_start: 0.8060 (OUTLIER) cc_final: 0.7031 (mtm180) REVERT: h 80 MET cc_start: 0.9172 (ptp) cc_final: 0.8867 (pmt) REVERT: h 284 GLN cc_start: 0.8455 (OUTLIER) cc_final: 0.8048 (mp10) REVERT: i 61 ARG cc_start: 0.8067 (OUTLIER) cc_final: 0.7549 (ttm110) REVERT: i 284 GLN cc_start: 0.8536 (OUTLIER) cc_final: 0.8003 (mp10) REVERT: j 80 MET cc_start: 0.9240 (ptt) cc_final: 0.8799 (ptt) REVERT: j 236 ASN cc_start: 0.8579 (OUTLIER) cc_final: 0.8150 (p0) REVERT: j 239 VAL cc_start: 0.9151 (OUTLIER) cc_final: 0.8874 (m) REVERT: k 236 ASN cc_start: 0.8535 (OUTLIER) cc_final: 0.8299 (p0) REVERT: n 61 ARG cc_start: 0.8091 (OUTLIER) cc_final: 0.7571 (ttm110) REVERT: n 284 GLN cc_start: 0.8523 (OUTLIER) cc_final: 0.7999 (mp10) REVERT: o 80 MET cc_start: 0.9262 (ptt) cc_final: 0.8762 (ptt) REVERT: o 207 LYS cc_start: 0.8754 (OUTLIER) cc_final: 0.8389 (mtpp) REVERT: o 236 ASN cc_start: 0.8579 (OUTLIER) cc_final: 0.8143 (p0) REVERT: o 239 VAL cc_start: 0.9194 (OUTLIER) cc_final: 0.8912 (m) REVERT: p 61 ARG cc_start: 0.8092 (OUTLIER) cc_final: 0.7026 (mtm180) REVERT: p 284 GLN cc_start: 0.8452 (OUTLIER) cc_final: 0.8021 (mp10) REVERT: p 345 GLN cc_start: 0.8328 (mt0) cc_final: 0.8117 (mt0) REVERT: q 61 ARG cc_start: 0.8091 (OUTLIER) cc_final: 0.7565 (ttm110) REVERT: q 80 MET cc_start: 0.9237 (OUTLIER) cc_final: 0.8872 (ptt) REVERT: q 284 GLN cc_start: 0.8521 (OUTLIER) cc_final: 0.7969 (mp10) REVERT: r 80 MET cc_start: 0.9266 (ptt) cc_final: 0.8794 (ptt) REVERT: r 207 LYS cc_start: 0.8757 (OUTLIER) cc_final: 0.8390 (mtpp) REVERT: r 236 ASN cc_start: 0.8607 (OUTLIER) cc_final: 0.8175 (p0) REVERT: r 239 VAL cc_start: 0.9194 (OUTLIER) cc_final: 0.8915 (m) REVERT: s 284 GLN cc_start: 0.8464 (OUTLIER) cc_final: 0.8064 (mp10) REVERT: s 345 GLN cc_start: 0.8366 (mt0) cc_final: 0.8149 (mt0) REVERT: t 236 ASN cc_start: 0.8539 (OUTLIER) cc_final: 0.8288 (p0) REVERT: w 61 ARG cc_start: 0.8066 (OUTLIER) cc_final: 0.7033 (mtm180) REVERT: w 80 MET cc_start: 0.9167 (ptp) cc_final: 0.8870 (pmt) REVERT: w 284 GLN cc_start: 0.8473 (OUTLIER) cc_final: 0.8085 (mp10) REVERT: x 80 MET cc_start: 0.9240 (ptt) cc_final: 0.8806 (ptt) REVERT: x 88 MET cc_start: 0.9076 (mmm) cc_final: 0.8780 (mmm) REVERT: x 236 ASN cc_start: 0.8558 (OUTLIER) cc_final: 0.8150 (p0) REVERT: y 61 ARG cc_start: 0.8092 (OUTLIER) cc_final: 0.7778 (mtt90) REVERT: y 112 MET cc_start: 0.8599 (ppp) cc_final: 0.8208 (tmm) REVERT: y 233 ASP cc_start: 0.8089 (t70) cc_final: 0.7523 (t70) REVERT: y 284 GLN cc_start: 0.8609 (OUTLIER) cc_final: 0.8002 (mp10) REVERT: z 61 ARG cc_start: 0.8127 (OUTLIER) cc_final: 0.7827 (mtt90) REVERT: z 92 CYS cc_start: 0.8216 (OUTLIER) cc_final: 0.7969 (p) REVERT: z 284 GLN cc_start: 0.8598 (OUTLIER) cc_final: 0.7979 (mp10) REVERT: 1 61 ARG cc_start: 0.8098 (OUTLIER) cc_final: 0.7782 (mtt90) REVERT: 1 92 CYS cc_start: 0.8230 (OUTLIER) cc_final: 0.7995 (p) REVERT: 1 284 GLN cc_start: 0.8593 (OUTLIER) cc_final: 0.7946 (mp10) REVERT: 2 61 ARG cc_start: 0.8097 (OUTLIER) cc_final: 0.7585 (ttm110) REVERT: 2 284 GLN cc_start: 0.8524 (OUTLIER) cc_final: 0.7973 (mp10) outliers start: 920 outliers final: 643 residues processed: 3004 average time/residue: 1.6886 time to fit residues: 7630.4860 Evaluate side-chains 3134 residues out of total 17520 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 754 poor density : 2380 time to evaluate : 11.588 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 61 ARG Chi-restraints excluded: chain A residue 87 VAL Chi-restraints excluded: chain A residue 112 MET Chi-restraints excluded: chain A residue 176 THR Chi-restraints excluded: chain A residue 182 SER Chi-restraints excluded: chain A residue 232 SER Chi-restraints excluded: chain A residue 239 VAL Chi-restraints excluded: chain A residue 260 VAL Chi-restraints excluded: chain A residue 281 ASN Chi-restraints excluded: chain A residue 284 GLN Chi-restraints excluded: chain A residue 292 THR Chi-restraints excluded: chain A residue 317 ASN Chi-restraints excluded: chain A residue 340 LYS Chi-restraints excluded: chain B residue 57 MET Chi-restraints excluded: chain B residue 61 ARG Chi-restraints excluded: chain B residue 124 VAL Chi-restraints excluded: chain B residue 129 SER Chi-restraints excluded: chain B residue 147 THR Chi-restraints excluded: chain B residue 176 THR Chi-restraints excluded: chain B residue 191 SER Chi-restraints excluded: chain B residue 232 SER Chi-restraints excluded: chain B residue 236 ASN Chi-restraints excluded: chain B residue 239 VAL Chi-restraints excluded: chain B residue 254 THR Chi-restraints excluded: chain B residue 259 ASN Chi-restraints excluded: chain B residue 260 VAL Chi-restraints excluded: chain B residue 284 GLN Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 338 GLU Chi-restraints excluded: chain B residue 350 CYS Chi-restraints excluded: chain C residue 176 THR Chi-restraints excluded: chain C residue 191 SER Chi-restraints excluded: chain C residue 232 SER Chi-restraints excluded: chain C residue 236 ASN Chi-restraints excluded: chain C residue 239 VAL Chi-restraints excluded: chain C residue 243 ASN Chi-restraints excluded: chain C residue 260 VAL Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 317 ASN Chi-restraints excluded: chain C residue 350 CYS Chi-restraints excluded: chain D residue 57 MET Chi-restraints excluded: chain D residue 61 ARG Chi-restraints excluded: chain D residue 92 CYS Chi-restraints excluded: chain D residue 101 LEU Chi-restraints excluded: chain D residue 124 VAL Chi-restraints excluded: chain D residue 129 SER Chi-restraints excluded: chain D residue 182 SER Chi-restraints excluded: chain D residue 191 SER Chi-restraints excluded: chain D residue 239 VAL Chi-restraints excluded: chain D residue 260 VAL Chi-restraints excluded: chain D residue 284 GLN Chi-restraints excluded: chain D residue 317 ASN Chi-restraints excluded: chain E residue 61 ARG Chi-restraints excluded: chain E residue 80 MET Chi-restraints excluded: chain E residue 112 MET Chi-restraints excluded: chain E residue 116 CYS Chi-restraints excluded: chain E residue 124 VAL Chi-restraints excluded: chain E residue 182 SER Chi-restraints excluded: chain E residue 186 LEU Chi-restraints excluded: chain E residue 191 SER Chi-restraints excluded: chain E residue 207 LYS Chi-restraints excluded: chain E residue 239 VAL Chi-restraints excluded: chain E residue 246 MET Chi-restraints excluded: chain E residue 260 VAL Chi-restraints excluded: chain E residue 284 GLN Chi-restraints excluded: chain E residue 313 SER Chi-restraints excluded: chain E residue 353 VAL Chi-restraints excluded: chain F residue 61 ARG Chi-restraints excluded: chain F residue 87 VAL Chi-restraints excluded: chain F residue 112 MET Chi-restraints excluded: chain F residue 129 SER Chi-restraints excluded: chain F residue 147 THR Chi-restraints excluded: chain F residue 176 THR Chi-restraints excluded: chain F residue 232 SER Chi-restraints excluded: chain F residue 239 VAL Chi-restraints excluded: chain F residue 258 ILE Chi-restraints excluded: chain F residue 260 VAL Chi-restraints excluded: chain F residue 284 GLN Chi-restraints excluded: chain F residue 292 THR Chi-restraints excluded: chain F residue 317 ASN Chi-restraints excluded: chain F residue 340 LYS Chi-restraints excluded: chain G residue 61 ARG Chi-restraints excluded: chain G residue 112 MET Chi-restraints excluded: chain G residue 116 CYS Chi-restraints excluded: chain G residue 124 VAL Chi-restraints excluded: chain G residue 182 SER Chi-restraints excluded: chain G residue 186 LEU Chi-restraints excluded: chain G residue 207 LYS Chi-restraints excluded: chain G residue 239 VAL Chi-restraints excluded: chain G residue 246 MET Chi-restraints excluded: chain G residue 260 VAL Chi-restraints excluded: chain G residue 284 GLN Chi-restraints excluded: chain G residue 313 SER Chi-restraints excluded: chain G residue 318 LEU Chi-restraints excluded: chain G residue 353 VAL Chi-restraints excluded: chain H residue 57 MET Chi-restraints excluded: chain H residue 61 ARG Chi-restraints excluded: chain H residue 101 LEU Chi-restraints excluded: chain H residue 124 VAL Chi-restraints excluded: chain H residue 129 SER Chi-restraints excluded: chain H residue 182 SER Chi-restraints excluded: chain H residue 191 SER Chi-restraints excluded: chain H residue 239 VAL Chi-restraints excluded: chain H residue 260 VAL Chi-restraints excluded: chain H residue 284 GLN Chi-restraints excluded: chain H residue 317 ASN Chi-restraints excluded: chain H residue 350 CYS Chi-restraints excluded: chain I residue 176 THR Chi-restraints excluded: chain I residue 191 SER Chi-restraints excluded: chain I residue 207 LYS Chi-restraints excluded: chain I residue 236 ASN Chi-restraints excluded: chain I residue 239 VAL Chi-restraints excluded: chain I residue 243 ASN Chi-restraints excluded: chain I residue 260 VAL Chi-restraints excluded: chain I residue 317 ASN Chi-restraints excluded: chain I residue 350 CYS Chi-restraints excluded: chain J residue 57 MET Chi-restraints excluded: chain J residue 61 ARG Chi-restraints excluded: chain J residue 124 VAL Chi-restraints excluded: chain J residue 129 SER Chi-restraints excluded: chain J residue 147 THR Chi-restraints excluded: chain J residue 176 THR Chi-restraints excluded: chain J residue 239 VAL Chi-restraints excluded: chain J residue 254 THR Chi-restraints excluded: chain J residue 259 ASN Chi-restraints excluded: chain J residue 260 VAL Chi-restraints excluded: chain J residue 284 GLN Chi-restraints excluded: chain J residue 313 SER Chi-restraints excluded: chain J residue 338 GLU Chi-restraints excluded: chain J residue 350 CYS Chi-restraints excluded: chain K residue 176 THR Chi-restraints excluded: chain K residue 191 SER Chi-restraints excluded: chain K residue 239 VAL Chi-restraints excluded: chain K residue 243 ASN Chi-restraints excluded: chain K residue 260 VAL Chi-restraints excluded: chain K residue 313 SER Chi-restraints excluded: chain K residue 317 ASN Chi-restraints excluded: chain L residue 57 MET Chi-restraints excluded: chain L residue 61 ARG Chi-restraints excluded: chain L residue 123 LYS Chi-restraints excluded: chain L residue 124 VAL Chi-restraints excluded: chain L residue 129 SER Chi-restraints excluded: chain L residue 147 THR Chi-restraints excluded: chain L residue 176 THR Chi-restraints excluded: chain L residue 239 VAL Chi-restraints excluded: chain L residue 254 THR Chi-restraints excluded: chain L residue 260 VAL Chi-restraints excluded: chain L residue 284 GLN Chi-restraints excluded: chain L residue 313 SER Chi-restraints excluded: chain L residue 317 ASN Chi-restraints excluded: chain L residue 350 CYS Chi-restraints excluded: chain M residue 61 ARG Chi-restraints excluded: chain M residue 112 MET Chi-restraints excluded: chain M residue 116 CYS Chi-restraints excluded: chain M residue 124 VAL Chi-restraints excluded: chain M residue 182 SER Chi-restraints excluded: chain M residue 186 LEU Chi-restraints excluded: chain M residue 207 LYS Chi-restraints excluded: chain M residue 239 VAL Chi-restraints excluded: chain M residue 246 MET Chi-restraints excluded: chain M residue 260 VAL Chi-restraints excluded: chain M residue 284 GLN Chi-restraints excluded: chain M residue 318 LEU Chi-restraints excluded: chain M residue 353 VAL Chi-restraints excluded: chain N residue 57 MET Chi-restraints excluded: chain N residue 61 ARG Chi-restraints excluded: chain N residue 92 CYS Chi-restraints excluded: chain N residue 101 LEU Chi-restraints excluded: chain N residue 129 SER Chi-restraints excluded: chain N residue 191 SER Chi-restraints excluded: chain N residue 239 VAL Chi-restraints excluded: chain N residue 284 GLN Chi-restraints excluded: chain N residue 317 ASN Chi-restraints excluded: chain N residue 318 LEU Chi-restraints excluded: chain N residue 350 CYS Chi-restraints excluded: chain O residue 61 ARG Chi-restraints excluded: chain O residue 112 MET Chi-restraints excluded: chain O residue 116 CYS Chi-restraints excluded: chain O residue 124 VAL Chi-restraints excluded: chain O residue 182 SER Chi-restraints excluded: chain O residue 186 LEU Chi-restraints excluded: chain O residue 207 LYS Chi-restraints excluded: chain O residue 239 VAL Chi-restraints excluded: chain O residue 260 VAL Chi-restraints excluded: chain O residue 284 GLN Chi-restraints excluded: chain O residue 318 LEU Chi-restraints excluded: chain O residue 353 VAL Chi-restraints excluded: chain P residue 57 MET Chi-restraints excluded: chain P residue 61 ARG Chi-restraints excluded: chain P residue 92 CYS Chi-restraints excluded: chain P residue 101 LEU Chi-restraints excluded: chain P residue 124 VAL Chi-restraints excluded: chain P residue 129 SER Chi-restraints excluded: chain P residue 182 SER Chi-restraints excluded: chain P residue 191 SER Chi-restraints excluded: chain P residue 239 VAL Chi-restraints excluded: chain P residue 284 GLN Chi-restraints excluded: chain P residue 317 ASN Chi-restraints excluded: chain P residue 350 CYS Chi-restraints excluded: chain Q residue 176 THR Chi-restraints excluded: chain Q residue 191 SER Chi-restraints excluded: chain Q residue 207 LYS Chi-restraints excluded: chain Q residue 239 VAL Chi-restraints excluded: chain Q residue 243 ASN Chi-restraints excluded: chain Q residue 260 VAL Chi-restraints excluded: chain Q residue 317 ASN Chi-restraints excluded: chain Q residue 350 CYS Chi-restraints excluded: chain R residue 57 MET Chi-restraints excluded: chain R residue 61 ARG Chi-restraints excluded: chain R residue 123 LYS Chi-restraints excluded: chain R residue 124 VAL Chi-restraints excluded: chain R residue 129 SER Chi-restraints excluded: chain R residue 147 THR Chi-restraints excluded: chain R residue 176 THR Chi-restraints excluded: chain R residue 191 SER Chi-restraints excluded: chain R residue 239 VAL Chi-restraints excluded: chain R residue 254 THR Chi-restraints excluded: chain R residue 260 VAL Chi-restraints excluded: chain R residue 284 GLN Chi-restraints excluded: chain R residue 313 SER Chi-restraints excluded: chain R residue 350 CYS Chi-restraints excluded: chain S residue 57 MET Chi-restraints excluded: chain S residue 61 ARG Chi-restraints excluded: chain S residue 123 LYS Chi-restraints excluded: chain S residue 124 VAL Chi-restraints excluded: chain S residue 129 SER Chi-restraints excluded: chain S residue 147 THR Chi-restraints excluded: chain S residue 176 THR Chi-restraints excluded: chain S residue 232 SER Chi-restraints excluded: chain S residue 236 ASN Chi-restraints excluded: chain S residue 239 VAL Chi-restraints excluded: chain S residue 254 THR Chi-restraints excluded: chain S residue 260 VAL Chi-restraints excluded: chain S residue 284 GLN Chi-restraints excluded: chain S residue 350 CYS Chi-restraints excluded: chain T residue 176 THR Chi-restraints excluded: chain T residue 191 SER Chi-restraints excluded: chain T residue 236 ASN Chi-restraints excluded: chain T residue 239 VAL Chi-restraints excluded: chain T residue 243 ASN Chi-restraints excluded: chain T residue 260 VAL Chi-restraints excluded: chain T residue 313 SER Chi-restraints excluded: chain T residue 317 ASN Chi-restraints excluded: chain U residue 57 MET Chi-restraints excluded: chain U residue 61 ARG Chi-restraints excluded: chain U residue 123 LYS Chi-restraints excluded: chain U residue 124 VAL Chi-restraints excluded: chain U residue 129 SER Chi-restraints excluded: chain U residue 147 THR Chi-restraints excluded: chain U residue 176 THR Chi-restraints excluded: chain U residue 239 VAL Chi-restraints excluded: chain U residue 254 THR Chi-restraints excluded: chain U residue 260 VAL Chi-restraints excluded: chain U residue 284 GLN Chi-restraints excluded: chain U residue 313 SER Chi-restraints excluded: chain U residue 350 CYS Chi-restraints excluded: chain V residue 176 THR Chi-restraints excluded: chain V residue 191 SER Chi-restraints excluded: chain V residue 232 SER Chi-restraints excluded: chain V residue 239 VAL Chi-restraints excluded: chain V residue 243 ASN Chi-restraints excluded: chain V residue 260 VAL Chi-restraints excluded: chain V residue 313 SER Chi-restraints excluded: chain V residue 317 ASN Chi-restraints excluded: chain V residue 350 CYS Chi-restraints excluded: chain W residue 57 MET Chi-restraints excluded: chain W residue 61 ARG Chi-restraints excluded: chain W residue 73 ARG Chi-restraints excluded: chain W residue 80 MET Chi-restraints excluded: chain W residue 92 CYS Chi-restraints excluded: chain W residue 124 VAL Chi-restraints excluded: chain W residue 129 SER Chi-restraints excluded: chain W residue 182 SER Chi-restraints excluded: chain W residue 191 SER Chi-restraints excluded: chain W residue 239 VAL Chi-restraints excluded: chain W residue 260 VAL Chi-restraints excluded: chain W residue 284 GLN Chi-restraints excluded: chain W residue 317 ASN Chi-restraints excluded: chain X residue 61 ARG Chi-restraints excluded: chain X residue 80 MET Chi-restraints excluded: chain X residue 112 MET Chi-restraints excluded: chain X residue 116 CYS Chi-restraints excluded: chain X residue 124 VAL Chi-restraints excluded: chain X residue 182 SER Chi-restraints excluded: chain X residue 186 LEU Chi-restraints excluded: chain X residue 207 LYS Chi-restraints excluded: chain X residue 239 VAL Chi-restraints excluded: chain X residue 246 MET Chi-restraints excluded: chain X residue 260 VAL Chi-restraints excluded: chain X residue 284 GLN Chi-restraints excluded: chain X residue 318 LEU Chi-restraints excluded: chain X residue 353 VAL Chi-restraints excluded: chain Y residue 57 MET Chi-restraints excluded: chain Y residue 61 ARG Chi-restraints excluded: chain Y residue 80 MET Chi-restraints excluded: chain Y residue 92 CYS Chi-restraints excluded: chain Y residue 124 VAL Chi-restraints excluded: chain Y residue 129 SER Chi-restraints excluded: chain Y residue 182 SER Chi-restraints excluded: chain Y residue 191 SER Chi-restraints excluded: chain Y residue 239 VAL Chi-restraints excluded: chain Y residue 284 GLN Chi-restraints excluded: chain Y residue 317 ASN Chi-restraints excluded: chain Z residue 61 ARG Chi-restraints excluded: chain Z residue 80 MET Chi-restraints excluded: chain Z residue 112 MET Chi-restraints excluded: chain Z residue 116 CYS Chi-restraints excluded: chain Z residue 124 VAL Chi-restraints excluded: chain Z residue 182 SER Chi-restraints excluded: chain Z residue 186 LEU Chi-restraints excluded: chain Z residue 207 LYS Chi-restraints excluded: chain Z residue 239 VAL Chi-restraints excluded: chain Z residue 246 MET Chi-restraints excluded: chain Z residue 260 VAL Chi-restraints excluded: chain Z residue 284 GLN Chi-restraints excluded: chain Z residue 318 LEU Chi-restraints excluded: chain Z residue 353 VAL Chi-restraints excluded: chain 8 residue 61 ARG Chi-restraints excluded: chain 8 residue 87 VAL Chi-restraints excluded: chain 8 residue 112 MET Chi-restraints excluded: chain 8 residue 129 SER Chi-restraints excluded: chain 8 residue 135 SER Chi-restraints excluded: chain 8 residue 176 THR Chi-restraints excluded: chain 8 residue 232 SER Chi-restraints excluded: chain 8 residue 239 VAL Chi-restraints excluded: chain 8 residue 258 ILE Chi-restraints excluded: chain 8 residue 260 VAL Chi-restraints excluded: chain 8 residue 281 ASN Chi-restraints excluded: chain 8 residue 284 GLN Chi-restraints excluded: chain 8 residue 292 THR Chi-restraints excluded: chain 8 residue 313 SER Chi-restraints excluded: chain 7 residue 50 THR Chi-restraints excluded: chain 7 residue 61 ARG Chi-restraints excluded: chain 7 residue 87 VAL Chi-restraints excluded: chain 7 residue 112 MET Chi-restraints excluded: chain 7 residue 176 THR Chi-restraints excluded: chain 7 residue 182 SER Chi-restraints excluded: chain 7 residue 239 VAL Chi-restraints excluded: chain 7 residue 258 ILE Chi-restraints excluded: chain 7 residue 260 VAL Chi-restraints excluded: chain 7 residue 284 GLN Chi-restraints excluded: chain 7 residue 292 THR Chi-restraints excluded: chain 7 residue 313 SER Chi-restraints excluded: chain 6 residue 61 ARG Chi-restraints excluded: chain 6 residue 85 TRP Chi-restraints excluded: chain 6 residue 87 VAL Chi-restraints excluded: chain 6 residue 112 MET Chi-restraints excluded: chain 6 residue 129 SER Chi-restraints excluded: chain 6 residue 135 SER Chi-restraints excluded: chain 6 residue 176 THR Chi-restraints excluded: chain 6 residue 182 SER Chi-restraints excluded: chain 6 residue 239 VAL Chi-restraints excluded: chain 6 residue 258 ILE Chi-restraints excluded: chain 6 residue 260 VAL Chi-restraints excluded: chain 6 residue 284 GLN Chi-restraints excluded: chain 6 residue 292 THR Chi-restraints excluded: chain 6 residue 313 SER Chi-restraints excluded: chain 5 residue 61 ARG Chi-restraints excluded: chain 5 residue 80 MET Chi-restraints excluded: chain 5 residue 85 TRP Chi-restraints excluded: chain 5 residue 87 VAL Chi-restraints excluded: chain 5 residue 112 MET Chi-restraints excluded: chain 5 residue 129 SER Chi-restraints excluded: chain 5 residue 135 SER Chi-restraints excluded: chain 5 residue 176 THR Chi-restraints excluded: chain 5 residue 232 SER Chi-restraints excluded: chain 5 residue 239 VAL Chi-restraints excluded: chain 5 residue 258 ILE Chi-restraints excluded: chain 5 residue 260 VAL Chi-restraints excluded: chain 5 residue 281 ASN Chi-restraints excluded: chain 5 residue 284 GLN Chi-restraints excluded: chain 5 residue 292 THR Chi-restraints excluded: chain 5 residue 313 SER Chi-restraints excluded: chain 5 residue 317 ASN Chi-restraints excluded: chain 4 residue 61 ARG Chi-restraints excluded: chain 4 residue 87 VAL Chi-restraints excluded: chain 4 residue 112 MET Chi-restraints excluded: chain 4 residue 129 SER Chi-restraints excluded: chain 4 residue 135 SER Chi-restraints excluded: chain 4 residue 176 THR Chi-restraints excluded: chain 4 residue 232 SER Chi-restraints excluded: chain 4 residue 239 VAL Chi-restraints excluded: chain 4 residue 258 ILE Chi-restraints excluded: chain 4 residue 260 VAL Chi-restraints excluded: chain 4 residue 281 ASN Chi-restraints excluded: chain 4 residue 284 GLN Chi-restraints excluded: chain 4 residue 292 THR Chi-restraints excluded: chain 4 residue 313 SER Chi-restraints excluded: chain 4 residue 317 ASN Chi-restraints excluded: chain 4 residue 340 LYS Chi-restraints excluded: chain 3 residue 61 ARG Chi-restraints excluded: chain 3 residue 87 VAL Chi-restraints excluded: chain 3 residue 112 MET Chi-restraints excluded: chain 3 residue 147 THR Chi-restraints excluded: chain 3 residue 176 THR Chi-restraints excluded: chain 3 residue 232 SER Chi-restraints excluded: chain 3 residue 239 VAL Chi-restraints excluded: chain 3 residue 258 ILE Chi-restraints excluded: chain 3 residue 260 VAL Chi-restraints excluded: chain 3 residue 284 GLN Chi-restraints excluded: chain 3 residue 292 THR Chi-restraints excluded: chain 3 residue 313 SER Chi-restraints excluded: chain 3 residue 317 ASN Chi-restraints excluded: chain a residue 176 THR Chi-restraints excluded: chain a residue 191 SER Chi-restraints excluded: chain a residue 239 VAL Chi-restraints excluded: chain a residue 243 ASN Chi-restraints excluded: chain a residue 260 VAL Chi-restraints excluded: chain a residue 314 VAL Chi-restraints excluded: chain a residue 317 ASN Chi-restraints excluded: chain a residue 350 CYS Chi-restraints excluded: chain b residue 48 GLN Chi-restraints excluded: chain b residue 61 ARG Chi-restraints excluded: chain b residue 80 MET Chi-restraints excluded: chain b residue 112 MET Chi-restraints excluded: chain b residue 116 CYS Chi-restraints excluded: chain b residue 124 VAL Chi-restraints excluded: chain b residue 182 SER Chi-restraints excluded: chain b residue 186 LEU Chi-restraints excluded: chain b residue 207 LYS Chi-restraints excluded: chain b residue 239 VAL Chi-restraints excluded: chain b residue 246 MET Chi-restraints excluded: chain b residue 260 VAL Chi-restraints excluded: chain b residue 284 GLN Chi-restraints excluded: chain b residue 318 LEU Chi-restraints excluded: chain b residue 353 VAL Chi-restraints excluded: chain c residue 57 MET Chi-restraints excluded: chain c residue 61 ARG Chi-restraints excluded: chain c residue 80 MET Chi-restraints excluded: chain c residue 124 VAL Chi-restraints excluded: chain c residue 129 SER Chi-restraints excluded: chain c residue 191 SER Chi-restraints excluded: chain c residue 239 VAL Chi-restraints excluded: chain c residue 284 GLN Chi-restraints excluded: chain c residue 317 ASN Chi-restraints excluded: chain c residue 318 LEU Chi-restraints excluded: chain c residue 350 CYS Chi-restraints excluded: chain d residue 57 MET Chi-restraints excluded: chain d residue 61 ARG Chi-restraints excluded: chain d residue 92 CYS Chi-restraints excluded: chain d residue 124 VAL Chi-restraints excluded: chain d residue 129 SER Chi-restraints excluded: chain d residue 182 SER Chi-restraints excluded: chain d residue 191 SER Chi-restraints excluded: chain d residue 239 VAL Chi-restraints excluded: chain d residue 260 VAL Chi-restraints excluded: chain d residue 284 GLN Chi-restraints excluded: chain d residue 317 ASN Chi-restraints excluded: chain d residue 350 CYS Chi-restraints excluded: chain e residue 57 MET Chi-restraints excluded: chain e residue 61 ARG Chi-restraints excluded: chain e residue 124 VAL Chi-restraints excluded: chain e residue 129 SER Chi-restraints excluded: chain e residue 191 SER Chi-restraints excluded: chain e residue 239 VAL Chi-restraints excluded: chain e residue 284 GLN Chi-restraints excluded: chain e residue 317 ASN Chi-restraints excluded: chain f residue 61 ARG Chi-restraints excluded: chain f residue 80 MET Chi-restraints excluded: chain f residue 112 MET Chi-restraints excluded: chain f residue 116 CYS Chi-restraints excluded: chain f residue 124 VAL Chi-restraints excluded: chain f residue 182 SER Chi-restraints excluded: chain f residue 186 LEU Chi-restraints excluded: chain f residue 207 LYS Chi-restraints excluded: chain f residue 239 VAL Chi-restraints excluded: chain f residue 246 MET Chi-restraints excluded: chain f residue 260 VAL Chi-restraints excluded: chain f residue 284 GLN Chi-restraints excluded: chain f residue 318 LEU Chi-restraints excluded: chain f residue 353 VAL Chi-restraints excluded: chain g residue 176 THR Chi-restraints excluded: chain g residue 183 MET Chi-restraints excluded: chain g residue 191 SER Chi-restraints excluded: chain g residue 232 SER Chi-restraints excluded: chain g residue 239 VAL Chi-restraints excluded: chain g residue 243 ASN Chi-restraints excluded: chain g residue 260 VAL Chi-restraints excluded: chain g residue 317 ASN Chi-restraints excluded: chain h residue 61 ARG Chi-restraints excluded: chain h residue 87 VAL Chi-restraints excluded: chain h residue 112 MET Chi-restraints excluded: chain h residue 129 SER Chi-restraints excluded: chain h residue 135 SER Chi-restraints excluded: chain h residue 176 THR Chi-restraints excluded: chain h residue 232 SER Chi-restraints excluded: chain h residue 239 VAL Chi-restraints excluded: chain h residue 258 ILE Chi-restraints excluded: chain h residue 260 VAL Chi-restraints excluded: chain h residue 284 GLN Chi-restraints excluded: chain h residue 292 THR Chi-restraints excluded: chain h residue 313 SER Chi-restraints excluded: chain h residue 317 ASN Chi-restraints excluded: chain i residue 61 ARG Chi-restraints excluded: chain i residue 112 MET Chi-restraints excluded: chain i residue 116 CYS Chi-restraints excluded: chain i residue 124 VAL Chi-restraints excluded: chain i residue 182 SER Chi-restraints excluded: chain i residue 186 LEU Chi-restraints excluded: chain i residue 207 LYS Chi-restraints excluded: chain i residue 239 VAL Chi-restraints excluded: chain i residue 246 MET Chi-restraints excluded: chain i residue 260 VAL Chi-restraints excluded: chain i residue 284 GLN Chi-restraints excluded: chain i residue 318 LEU Chi-restraints excluded: chain i residue 353 VAL Chi-restraints excluded: chain j residue 176 THR Chi-restraints excluded: chain j residue 191 SER Chi-restraints excluded: chain j residue 236 ASN Chi-restraints excluded: chain j residue 239 VAL Chi-restraints excluded: chain j residue 243 ASN Chi-restraints excluded: chain j residue 260 VAL Chi-restraints excluded: chain j residue 314 VAL Chi-restraints excluded: chain j residue 317 ASN Chi-restraints excluded: chain j residue 350 CYS Chi-restraints excluded: chain k residue 57 MET Chi-restraints excluded: chain k residue 61 ARG Chi-restraints excluded: chain k residue 123 LYS Chi-restraints excluded: chain k residue 124 VAL Chi-restraints excluded: chain k residue 129 SER Chi-restraints excluded: chain k residue 147 THR Chi-restraints excluded: chain k residue 176 THR Chi-restraints excluded: chain k residue 191 SER Chi-restraints excluded: chain k residue 232 SER Chi-restraints excluded: chain k residue 236 ASN Chi-restraints excluded: chain k residue 239 VAL Chi-restraints excluded: chain k residue 254 THR Chi-restraints excluded: chain k residue 260 VAL Chi-restraints excluded: chain k residue 284 GLN Chi-restraints excluded: chain k residue 313 SER Chi-restraints excluded: chain k residue 350 CYS Chi-restraints excluded: chain l residue 57 MET Chi-restraints excluded: chain l residue 61 ARG Chi-restraints excluded: chain l residue 123 LYS Chi-restraints excluded: chain l residue 124 VAL Chi-restraints excluded: chain l residue 129 SER Chi-restraints excluded: chain l residue 147 THR Chi-restraints excluded: chain l residue 176 THR Chi-restraints excluded: chain l residue 239 VAL Chi-restraints excluded: chain l residue 254 THR Chi-restraints excluded: chain l residue 259 ASN Chi-restraints excluded: chain l residue 260 VAL Chi-restraints excluded: chain l residue 284 GLN Chi-restraints excluded: chain l residue 313 SER Chi-restraints excluded: chain l residue 350 CYS Chi-restraints excluded: chain m residue 57 MET Chi-restraints excluded: chain m residue 61 ARG Chi-restraints excluded: chain m residue 123 LYS Chi-restraints excluded: chain m residue 124 VAL Chi-restraints excluded: chain m residue 129 SER Chi-restraints excluded: chain m residue 147 THR Chi-restraints excluded: chain m residue 176 THR Chi-restraints excluded: chain m residue 191 SER Chi-restraints excluded: chain m residue 239 VAL Chi-restraints excluded: chain m residue 254 THR Chi-restraints excluded: chain m residue 260 VAL Chi-restraints excluded: chain m residue 284 GLN Chi-restraints excluded: chain m residue 350 CYS Chi-restraints excluded: chain n residue 61 ARG Chi-restraints excluded: chain n residue 112 MET Chi-restraints excluded: chain n residue 116 CYS Chi-restraints excluded: chain n residue 124 VAL Chi-restraints excluded: chain n residue 186 LEU Chi-restraints excluded: chain n residue 207 LYS Chi-restraints excluded: chain n residue 239 VAL Chi-restraints excluded: chain n residue 246 MET Chi-restraints excluded: chain n residue 260 VAL Chi-restraints excluded: chain n residue 284 GLN Chi-restraints excluded: chain n residue 313 SER Chi-restraints excluded: chain n residue 318 LEU Chi-restraints excluded: chain n residue 353 VAL Chi-restraints excluded: chain o residue 176 THR Chi-restraints excluded: chain o residue 191 SER Chi-restraints excluded: chain o residue 207 LYS Chi-restraints excluded: chain o residue 232 SER Chi-restraints excluded: chain o residue 236 ASN Chi-restraints excluded: chain o residue 239 VAL Chi-restraints excluded: chain o residue 243 ASN Chi-restraints excluded: chain o residue 260 VAL Chi-restraints excluded: chain o residue 313 SER Chi-restraints excluded: chain o residue 317 ASN Chi-restraints excluded: chain o residue 350 CYS Chi-restraints excluded: chain p residue 61 ARG Chi-restraints excluded: chain p residue 85 TRP Chi-restraints excluded: chain p residue 87 VAL Chi-restraints excluded: chain p residue 112 MET Chi-restraints excluded: chain p residue 176 THR Chi-restraints excluded: chain p residue 232 SER Chi-restraints excluded: chain p residue 239 VAL Chi-restraints excluded: chain p residue 258 ILE Chi-restraints excluded: chain p residue 260 VAL Chi-restraints excluded: chain p residue 284 GLN Chi-restraints excluded: chain p residue 292 THR Chi-restraints excluded: chain p residue 313 SER Chi-restraints excluded: chain p residue 317 ASN Chi-restraints excluded: chain p residue 340 LYS Chi-restraints excluded: chain q residue 61 ARG Chi-restraints excluded: chain q residue 80 MET Chi-restraints excluded: chain q residue 112 MET Chi-restraints excluded: chain q residue 116 CYS Chi-restraints excluded: chain q residue 124 VAL Chi-restraints excluded: chain q residue 182 SER Chi-restraints excluded: chain q residue 186 LEU Chi-restraints excluded: chain q residue 207 LYS Chi-restraints excluded: chain q residue 239 VAL Chi-restraints excluded: chain q residue 246 MET Chi-restraints excluded: chain q residue 260 VAL Chi-restraints excluded: chain q residue 284 GLN Chi-restraints excluded: chain q residue 313 SER Chi-restraints excluded: chain q residue 353 VAL Chi-restraints excluded: chain r residue 176 THR Chi-restraints excluded: chain r residue 182 SER Chi-restraints excluded: chain r residue 191 SER Chi-restraints excluded: chain r residue 207 LYS Chi-restraints excluded: chain r residue 232 SER Chi-restraints excluded: chain r residue 236 ASN Chi-restraints excluded: chain r residue 239 VAL Chi-restraints excluded: chain r residue 243 ASN Chi-restraints excluded: chain r residue 260 VAL Chi-restraints excluded: chain r residue 313 SER Chi-restraints excluded: chain r residue 317 ASN Chi-restraints excluded: chain r residue 350 CYS Chi-restraints excluded: chain s residue 61 ARG Chi-restraints excluded: chain s residue 85 TRP Chi-restraints excluded: chain s residue 87 VAL Chi-restraints excluded: chain s residue 112 MET Chi-restraints excluded: chain s residue 135 SER Chi-restraints excluded: chain s residue 176 THR Chi-restraints excluded: chain s residue 182 SER Chi-restraints excluded: chain s residue 232 SER Chi-restraints excluded: chain s residue 239 VAL Chi-restraints excluded: chain s residue 258 ILE Chi-restraints excluded: chain s residue 259 ASN Chi-restraints excluded: chain s residue 260 VAL Chi-restraints excluded: chain s residue 284 GLN Chi-restraints excluded: chain s residue 292 THR Chi-restraints excluded: chain s residue 317 ASN Chi-restraints excluded: chain s residue 340 LYS Chi-restraints excluded: chain t residue 57 MET Chi-restraints excluded: chain t residue 61 ARG Chi-restraints excluded: chain t residue 123 LYS Chi-restraints excluded: chain t residue 124 VAL Chi-restraints excluded: chain t residue 129 SER Chi-restraints excluded: chain t residue 147 THR Chi-restraints excluded: chain t residue 176 THR Chi-restraints excluded: chain t residue 191 SER Chi-restraints excluded: chain t residue 236 ASN Chi-restraints excluded: chain t residue 239 VAL Chi-restraints excluded: chain t residue 254 THR Chi-restraints excluded: chain t residue 259 ASN Chi-restraints excluded: chain t residue 260 VAL Chi-restraints excluded: chain t residue 284 GLN Chi-restraints excluded: chain t residue 313 SER Chi-restraints excluded: chain t residue 350 CYS Chi-restraints excluded: chain u residue 57 MET Chi-restraints excluded: chain u residue 61 ARG Chi-restraints excluded: chain u residue 123 LYS Chi-restraints excluded: chain u residue 124 VAL Chi-restraints excluded: chain u residue 129 SER Chi-restraints excluded: chain u residue 147 THR Chi-restraints excluded: chain u residue 176 THR Chi-restraints excluded: chain u residue 191 SER Chi-restraints excluded: chain u residue 232 SER Chi-restraints excluded: chain u residue 239 VAL Chi-restraints excluded: chain u residue 254 THR Chi-restraints excluded: chain u residue 260 VAL Chi-restraints excluded: chain u residue 284 GLN Chi-restraints excluded: chain u residue 313 SER Chi-restraints excluded: chain u residue 350 CYS Chi-restraints excluded: chain v residue 57 MET Chi-restraints excluded: chain v residue 61 ARG Chi-restraints excluded: chain v residue 124 VAL Chi-restraints excluded: chain v residue 129 SER Chi-restraints excluded: chain v residue 147 THR Chi-restraints excluded: chain v residue 176 THR Chi-restraints excluded: chain v residue 239 VAL Chi-restraints excluded: chain v residue 254 THR Chi-restraints excluded: chain v residue 260 VAL Chi-restraints excluded: chain v residue 284 GLN Chi-restraints excluded: chain v residue 313 SER Chi-restraints excluded: chain v residue 350 CYS Chi-restraints excluded: chain w residue 61 ARG Chi-restraints excluded: chain w residue 87 VAL Chi-restraints excluded: chain w residue 112 MET Chi-restraints excluded: chain w residue 129 SER Chi-restraints excluded: chain w residue 135 SER Chi-restraints excluded: chain w residue 176 THR Chi-restraints excluded: chain w residue 232 SER Chi-restraints excluded: chain w residue 239 VAL Chi-restraints excluded: chain w residue 258 ILE Chi-restraints excluded: chain w residue 260 VAL Chi-restraints excluded: chain w residue 281 ASN Chi-restraints excluded: chain w residue 284 GLN Chi-restraints excluded: chain w residue 292 THR Chi-restraints excluded: chain w residue 313 SER Chi-restraints excluded: chain w residue 317 ASN Chi-restraints excluded: chain x residue 176 THR Chi-restraints excluded: chain x residue 191 SER Chi-restraints excluded: chain x residue 236 ASN Chi-restraints excluded: chain x residue 239 VAL Chi-restraints excluded: chain x residue 243 ASN Chi-restraints excluded: chain x residue 260 VAL Chi-restraints excluded: chain x residue 313 SER Chi-restraints excluded: chain x residue 314 VAL Chi-restraints excluded: chain x residue 317 ASN Chi-restraints excluded: chain y residue 57 MET Chi-restraints excluded: chain y residue 61 ARG Chi-restraints excluded: chain y residue 101 LEU Chi-restraints excluded: chain y residue 124 VAL Chi-restraints excluded: chain y residue 129 SER Chi-restraints excluded: chain y residue 182 SER Chi-restraints excluded: chain y residue 191 SER Chi-restraints excluded: chain y residue 239 VAL Chi-restraints excluded: chain y residue 260 VAL Chi-restraints excluded: chain y residue 284 GLN Chi-restraints excluded: chain y residue 317 ASN Chi-restraints excluded: chain y residue 350 CYS Chi-restraints excluded: chain z residue 57 MET Chi-restraints excluded: chain z residue 61 ARG Chi-restraints excluded: chain z residue 92 CYS Chi-restraints excluded: chain z residue 101 LEU Chi-restraints excluded: chain z residue 124 VAL Chi-restraints excluded: chain z residue 129 SER Chi-restraints excluded: chain z residue 182 SER Chi-restraints excluded: chain z residue 191 SER Chi-restraints excluded: chain z residue 239 VAL Chi-restraints excluded: chain z residue 284 GLN Chi-restraints excluded: chain z residue 317 ASN Chi-restraints excluded: chain 1 residue 57 MET Chi-restraints excluded: chain 1 residue 61 ARG Chi-restraints excluded: chain 1 residue 92 CYS Chi-restraints excluded: chain 1 residue 101 LEU Chi-restraints excluded: chain 1 residue 124 VAL Chi-restraints excluded: chain 1 residue 129 SER Chi-restraints excluded: chain 1 residue 182 SER Chi-restraints excluded: chain 1 residue 191 SER Chi-restraints excluded: chain 1 residue 239 VAL Chi-restraints excluded: chain 1 residue 260 VAL Chi-restraints excluded: chain 1 residue 284 GLN Chi-restraints excluded: chain 1 residue 317 ASN Chi-restraints excluded: chain 1 residue 350 CYS Chi-restraints excluded: chain 2 residue 61 ARG Chi-restraints excluded: chain 2 residue 112 MET Chi-restraints excluded: chain 2 residue 116 CYS Chi-restraints excluded: chain 2 residue 124 VAL Chi-restraints excluded: chain 2 residue 169 LYS Chi-restraints excluded: chain 2 residue 182 SER Chi-restraints excluded: chain 2 residue 186 LEU Chi-restraints excluded: chain 2 residue 239 VAL Chi-restraints excluded: chain 2 residue 246 MET Chi-restraints excluded: chain 2 residue 260 VAL Chi-restraints excluded: chain 2 residue 284 GLN Chi-restraints excluded: chain 2 residue 318 LEU Chi-restraints excluded: chain 2 residue 353 VAL Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1980 random chunks: chunk 1772 optimal weight: 4.9990 chunk 1167 optimal weight: 0.9980 chunk 1880 optimal weight: 0.9990 chunk 1147 optimal weight: 4.9990 chunk 892 optimal weight: 5.9990 chunk 1307 optimal weight: 3.9990 chunk 1972 optimal weight: 0.8980 chunk 1815 optimal weight: 9.9990 chunk 1570 optimal weight: 0.8980 chunk 163 optimal weight: 3.9990 chunk 1213 optimal weight: 2.9990 overall best weight: 1.3584 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 265 ASN A 319 ASN A 345 GLN ** B 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 345 GLN B 368 HIS C 284 GLN ** D 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 259 ASN ** D 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 319 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 328 GLN ** E 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 265 ASN F 319 ASN ** G 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 259 ASN ** H 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 284 GLN I 328 GLN I 342 ASN J 259 ASN ** J 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 345 GLN J 368 HIS K 284 GLN L 259 ASN ** L 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 345 GLN L 368 HIS ** M 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 259 ASN ** N 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 319 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 328 GLN ** O 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 259 ASN ** P 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 284 GLN Q 328 GLN R 259 ASN ** R 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 345 GLN R 368 HIS S 259 ASN ** S 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 345 GLN S 368 HIS T 284 GLN U 259 ASN ** U 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 345 GLN U 368 HIS V 284 GLN ** W 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 259 ASN ** W 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 259 ASN ** X 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 342 ASN ** Y 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 259 ASN ** Y 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 328 GLN ** Z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 259 ASN ** Z 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 345 GLN 6 164 GLN ** 6 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 345 GLN ** 5 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 345 GLN ** 4 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 164 GLN ** 3 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 345 GLN a 284 GLN a 319 ASN ** b 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 259 ASN ** b 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 259 ASN ** c 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 259 ASN ** d 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 259 ASN e 319 ASN e 328 GLN ** f 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 259 ASN ** f 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 284 GLN ** h 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 319 ASN ** h 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 236 ASN j 284 GLN k 236 ASN k 259 ASN ** k 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 345 GLN k 368 HIS l 259 ASN ** l 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 345 GLN l 368 HIS m 259 ASN m 328 GLN m 345 GLN m 368 HIS ** n 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 259 ASN ** n 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 284 GLN o 328 GLN ** p 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 265 ASN ** p 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 236 ASN r 284 GLN r 328 GLN ** s 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 319 ASN ** t 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 345 GLN t 368 HIS u 259 ASN ** u 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 345 GLN u 368 HIS v 259 ASN v 265 ASN ** v 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 345 GLN v 368 HIS w 164 GLN ** w 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 345 GLN x 284 GLN ** y 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 259 ASN ** y 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 328 GLN ** z 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 259 ASN ** z 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 319 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 259 ASN ** 1 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 319 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 345 GLN ** 2 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 259 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 98 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8504 moved from start: 0.3525 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.045 161760 Z= 0.251 Angle : 0.575 6.287 220140 Z= 0.310 Chirality : 0.049 0.178 24060 Planarity : 0.004 0.038 28500 Dihedral : 5.550 20.864 21660 Min Nonbonded Distance : 2.058 Molprobity Statistics. All-atom Clashscore : 15.28 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.69 % Favored : 94.31 % Rotamer: Outliers : 4.41 % Allowed : 18.20 % Favored : 77.39 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.26 (0.06), residues: 19920 helix: -2.77 (0.14), residues: 1200 sheet: -0.48 (0.07), residues: 5940 loop : -0.80 (0.05), residues: 12780 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.015 0.001 TRP J 211 HIS 0.012 0.001 HIS s 257 PHE 0.034 0.002 PHE C 366 TYR 0.021 0.001 TYR o 234 ARG 0.009 0.000 ARG I 61 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 39840 Ramachandran restraints generated. 19920 Oldfield, 0 Emsley, 19920 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 39840 Ramachandran restraints generated. 19920 Oldfield, 0 Emsley, 19920 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3404 residues out of total 17520 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 772 poor density : 2632 time to evaluate : 11.632 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: A 127 THR cc_start: 0.8946 (m) cc_final: 0.8674 (m) REVERT: A 284 GLN cc_start: 0.8399 (OUTLIER) cc_final: 0.8009 (mp10) REVERT: B 61 ARG cc_start: 0.7835 (OUTLIER) cc_final: 0.7596 (mtt90) REVERT: C 80 MET cc_start: 0.9195 (ptt) cc_final: 0.8774 (ptt) REVERT: C 88 MET cc_start: 0.9110 (mmm) cc_final: 0.8824 (mmm) REVERT: D 61 ARG cc_start: 0.7930 (OUTLIER) cc_final: 0.7697 (mtt90) REVERT: D 92 CYS cc_start: 0.8219 (OUTLIER) cc_final: 0.8005 (p) REVERT: D 284 GLN cc_start: 0.8564 (OUTLIER) cc_final: 0.7957 (mp10) REVERT: E 61 ARG cc_start: 0.7881 (OUTLIER) cc_final: 0.7651 (mtt90) REVERT: E 80 MET cc_start: 0.9213 (ptt) cc_final: 0.8885 (ptt) REVERT: E 207 LYS cc_start: 0.8534 (OUTLIER) cc_final: 0.8268 (mtpp) REVERT: E 284 GLN cc_start: 0.8497 (OUTLIER) cc_final: 0.7999 (mp10) REVERT: F 127 THR cc_start: 0.8966 (m) cc_final: 0.8693 (m) REVERT: F 284 GLN cc_start: 0.8412 (OUTLIER) cc_final: 0.8007 (mp10) REVERT: G 61 ARG cc_start: 0.7881 (OUTLIER) cc_final: 0.7646 (mtt90) REVERT: G 80 MET cc_start: 0.9145 (ptt) cc_final: 0.8901 (ptt) REVERT: H 61 ARG cc_start: 0.7936 (OUTLIER) cc_final: 0.7683 (mtt90) REVERT: H 284 GLN cc_start: 0.8589 (OUTLIER) cc_final: 0.7965 (mp10) REVERT: I 88 MET cc_start: 0.9110 (mmm) cc_final: 0.8831 (mmm) REVERT: I 112 MET cc_start: 0.8783 (tmm) cc_final: 0.8527 (tmm) REVERT: I 207 LYS cc_start: 0.8688 (OUTLIER) cc_final: 0.8373 (mtpp) REVERT: J 61 ARG cc_start: 0.7853 (OUTLIER) cc_final: 0.7586 (mtt90) REVERT: K 80 MET cc_start: 0.9199 (ptt) cc_final: 0.8779 (ptt) REVERT: K 88 MET cc_start: 0.9103 (mmm) cc_final: 0.8845 (mmm) REVERT: L 61 ARG cc_start: 0.7850 (OUTLIER) cc_final: 0.7593 (mtt90) REVERT: M 61 ARG cc_start: 0.7882 (OUTLIER) cc_final: 0.7612 (mtt90) REVERT: M 80 MET cc_start: 0.9197 (ptt) cc_final: 0.8954 (ptt) REVERT: M 207 LYS cc_start: 0.8540 (OUTLIER) cc_final: 0.8268 (mtpp) REVERT: N 61 ARG cc_start: 0.7931 (OUTLIER) cc_final: 0.7699 (mtt90) REVERT: N 88 MET cc_start: 0.8910 (mmm) cc_final: 0.8505 (mmm) REVERT: N 92 CYS cc_start: 0.8219 (OUTLIER) cc_final: 0.8007 (p) REVERT: N 284 GLN cc_start: 0.8564 (OUTLIER) cc_final: 0.7960 (mp10) REVERT: O 61 ARG cc_start: 0.7885 (OUTLIER) cc_final: 0.7616 (mtt90) REVERT: O 80 MET cc_start: 0.9158 (ptt) cc_final: 0.8916 (ptt) REVERT: O 207 LYS cc_start: 0.8532 (OUTLIER) cc_final: 0.8264 (mtpp) REVERT: O 284 GLN cc_start: 0.8438 (OUTLIER) cc_final: 0.7921 (mp10) REVERT: P 61 ARG cc_start: 0.7926 (OUTLIER) cc_final: 0.7686 (mtt90) REVERT: P 88 MET cc_start: 0.8909 (mmm) cc_final: 0.8536 (mmm) REVERT: P 92 CYS cc_start: 0.8184 (OUTLIER) cc_final: 0.7980 (p) REVERT: P 284 GLN cc_start: 0.8584 (OUTLIER) cc_final: 0.7964 (mp10) REVERT: Q 80 MET cc_start: 0.9191 (ptt) cc_final: 0.8747 (ptt) REVERT: Q 88 MET cc_start: 0.9108 (mmm) cc_final: 0.8827 (mmm) REVERT: Q 207 LYS cc_start: 0.8688 (OUTLIER) cc_final: 0.8372 (mtpp) REVERT: R 61 ARG cc_start: 0.7835 (OUTLIER) cc_final: 0.7591 (mtt90) REVERT: S 61 ARG cc_start: 0.7847 (OUTLIER) cc_final: 0.7582 (mtt90) REVERT: T 80 MET cc_start: 0.9198 (ptt) cc_final: 0.8776 (ptt) REVERT: T 88 MET cc_start: 0.9109 (mmm) cc_final: 0.8849 (mmm) REVERT: T 112 MET cc_start: 0.8629 (tmm) cc_final: 0.8416 (tmm) REVERT: U 61 ARG cc_start: 0.7841 (OUTLIER) cc_final: 0.7592 (mtt90) REVERT: V 80 MET cc_start: 0.9194 (ptt) cc_final: 0.8774 (ptt) REVERT: V 239 VAL cc_start: 0.9135 (OUTLIER) cc_final: 0.8833 (m) REVERT: W 61 ARG cc_start: 0.7921 (OUTLIER) cc_final: 0.7681 (mtt90) REVERT: W 80 MET cc_start: 0.8706 (OUTLIER) cc_final: 0.8060 (ptt) REVERT: W 92 CYS cc_start: 0.8249 (OUTLIER) cc_final: 0.8039 (p) REVERT: W 284 GLN cc_start: 0.8564 (OUTLIER) cc_final: 0.7959 (mp10) REVERT: X 61 ARG cc_start: 0.7886 (OUTLIER) cc_final: 0.7616 (mtt90) REVERT: X 80 MET cc_start: 0.9217 (ptt) cc_final: 0.8894 (ptt) REVERT: X 207 LYS cc_start: 0.8539 (OUTLIER) cc_final: 0.8273 (mtpp) REVERT: Y 61 ARG cc_start: 0.7929 (OUTLIER) cc_final: 0.7690 (mtt90) REVERT: Y 80 MET cc_start: 0.8707 (OUTLIER) cc_final: 0.8059 (ptt) REVERT: Y 284 GLN cc_start: 0.8560 (OUTLIER) cc_final: 0.7937 (mp10) REVERT: Z 61 ARG cc_start: 0.7884 (OUTLIER) cc_final: 0.7615 (mtt90) REVERT: Z 80 MET cc_start: 0.9219 (ptt) cc_final: 0.8885 (ptt) REVERT: Z 207 LYS cc_start: 0.8534 (OUTLIER) cc_final: 0.8270 (mtpp) REVERT: Z 284 GLN cc_start: 0.8444 (OUTLIER) cc_final: 0.7931 (mp10) REVERT: 8 61 ARG cc_start: 0.7954 (OUTLIER) cc_final: 0.6978 (mtm180) REVERT: 8 284 GLN cc_start: 0.8429 (OUTLIER) cc_final: 0.8019 (mp10) REVERT: 8 345 GLN cc_start: 0.8137 (mt0) cc_final: 0.7911 (mt0) REVERT: 7 61 ARG cc_start: 0.7954 (OUTLIER) cc_final: 0.6974 (mtm180) REVERT: 7 127 THR cc_start: 0.8969 (m) cc_final: 0.8693 (m) REVERT: 7 284 GLN cc_start: 0.8401 (OUTLIER) cc_final: 0.8010 (mp10) REVERT: 6 284 GLN cc_start: 0.8426 (OUTLIER) cc_final: 0.8031 (mp10) REVERT: 5 61 ARG cc_start: 0.7964 (OUTLIER) cc_final: 0.6984 (mtm180) REVERT: 5 80 MET cc_start: 0.9120 (OUTLIER) cc_final: 0.8748 (pmt) REVERT: 5 284 GLN cc_start: 0.8438 (OUTLIER) cc_final: 0.8017 (mp10) REVERT: 4 80 MET cc_start: 0.9071 (ptp) cc_final: 0.8782 (pmt) REVERT: 4 127 THR cc_start: 0.8967 (m) cc_final: 0.8698 (m) REVERT: 4 284 GLN cc_start: 0.8499 (OUTLIER) cc_final: 0.8101 (mp10) REVERT: 4 345 GLN cc_start: 0.8134 (mt0) cc_final: 0.7912 (mt0) REVERT: 3 127 THR cc_start: 0.8970 (m) cc_final: 0.8700 (m) REVERT: 3 284 GLN cc_start: 0.8435 (OUTLIER) cc_final: 0.8027 (mp10) REVERT: a 80 MET cc_start: 0.9193 (ptt) cc_final: 0.8771 (ptt) REVERT: a 88 MET cc_start: 0.9099 (mmm) cc_final: 0.8848 (mmm) REVERT: a 112 MET cc_start: 0.8642 (tmm) cc_final: 0.8440 (tmm) REVERT: b 48 GLN cc_start: 0.8630 (OUTLIER) cc_final: 0.8362 (pt0) REVERT: b 61 ARG cc_start: 0.7883 (OUTLIER) cc_final: 0.7613 (mtt90) REVERT: b 80 MET cc_start: 0.9216 (ptt) cc_final: 0.8893 (ptt) REVERT: b 207 LYS cc_start: 0.8533 (OUTLIER) cc_final: 0.8274 (mtpp) REVERT: b 284 GLN cc_start: 0.8436 (OUTLIER) cc_final: 0.7919 (mp10) REVERT: c 61 ARG cc_start: 0.7959 (OUTLIER) cc_final: 0.7723 (mtt90) REVERT: c 80 MET cc_start: 0.8705 (OUTLIER) cc_final: 0.8063 (ptt) REVERT: c 284 GLN cc_start: 0.8560 (OUTLIER) cc_final: 0.7940 (mp10) REVERT: c 318 LEU cc_start: 0.9299 (OUTLIER) cc_final: 0.9071 (mt) REVERT: d 61 ARG cc_start: 0.7924 (OUTLIER) cc_final: 0.7678 (mtt90) REVERT: d 88 MET cc_start: 0.8913 (mmm) cc_final: 0.8537 (mmm) REVERT: d 92 CYS cc_start: 0.8188 (OUTLIER) cc_final: 0.7984 (p) REVERT: d 284 GLN cc_start: 0.8562 (OUTLIER) cc_final: 0.7938 (mp10) REVERT: e 61 ARG cc_start: 0.7957 (OUTLIER) cc_final: 0.7720 (mtt90) REVERT: e 284 GLN cc_start: 0.8566 (OUTLIER) cc_final: 0.7959 (mp10) REVERT: f 61 ARG cc_start: 0.7901 (OUTLIER) cc_final: 0.7629 (mtt90) REVERT: f 80 MET cc_start: 0.9220 (ptt) cc_final: 0.8882 (ptt) REVERT: f 207 LYS cc_start: 0.8539 (OUTLIER) cc_final: 0.8268 (mtpp) REVERT: f 284 GLN cc_start: 0.8447 (OUTLIER) cc_final: 0.7941 (mp10) REVERT: g 88 MET cc_start: 0.9088 (mmm) cc_final: 0.8824 (mmm) REVERT: h 61 ARG cc_start: 0.7963 (OUTLIER) cc_final: 0.6988 (mtm180) REVERT: h 80 MET cc_start: 0.9052 (ptp) cc_final: 0.8781 (pmt) REVERT: h 127 THR cc_start: 0.8967 (m) cc_final: 0.8695 (m) REVERT: h 284 GLN cc_start: 0.8428 (OUTLIER) cc_final: 0.8018 (mp10) REVERT: i 61 ARG cc_start: 0.7896 (OUTLIER) cc_final: 0.7632 (mtt90) REVERT: i 80 MET cc_start: 0.9154 (ptt) cc_final: 0.8915 (ptt) REVERT: i 207 LYS cc_start: 0.8548 (OUTLIER) cc_final: 0.8281 (mtpp) REVERT: i 284 GLN cc_start: 0.8536 (OUTLIER) cc_final: 0.8022 (mp10) REVERT: j 80 MET cc_start: 0.9193 (ptt) cc_final: 0.8772 (ptt) REVERT: j 236 ASN cc_start: 0.8407 (OUTLIER) cc_final: 0.8003 (p0) REVERT: j 239 VAL cc_start: 0.9123 (OUTLIER) cc_final: 0.8816 (m) REVERT: k 61 ARG cc_start: 0.7846 (OUTLIER) cc_final: 0.7592 (mtt90) REVERT: l 61 ARG cc_start: 0.7860 (OUTLIER) cc_final: 0.7585 (mtt90) REVERT: m 61 ARG cc_start: 0.7851 (OUTLIER) cc_final: 0.7601 (mtt90) REVERT: n 61 ARG cc_start: 0.7881 (OUTLIER) cc_final: 0.7654 (mtt90) REVERT: n 80 MET cc_start: 0.9152 (ptt) cc_final: 0.8908 (ptt) REVERT: n 207 LYS cc_start: 0.8546 (OUTLIER) cc_final: 0.8273 (mtpp) REVERT: n 284 GLN cc_start: 0.8534 (OUTLIER) cc_final: 0.8023 (mp10) REVERT: o 207 LYS cc_start: 0.8685 (OUTLIER) cc_final: 0.8373 (mtpp) REVERT: o 239 VAL cc_start: 0.9173 (OUTLIER) cc_final: 0.8889 (m) REVERT: p 61 ARG cc_start: 0.7962 (OUTLIER) cc_final: 0.6989 (mtm180) REVERT: p 80 MET cc_start: 0.9035 (ptp) cc_final: 0.8777 (pmt) REVERT: p 284 GLN cc_start: 0.8377 (OUTLIER) cc_final: 0.7981 (mp10) REVERT: p 345 GLN cc_start: 0.8167 (mt0) cc_final: 0.7944 (mt0) REVERT: q 61 ARG cc_start: 0.7893 (ttm110) cc_final: 0.7666 (mtt90) REVERT: q 80 MET cc_start: 0.9215 (ptt) cc_final: 0.8885 (ptt) REVERT: q 207 LYS cc_start: 0.8539 (OUTLIER) cc_final: 0.8270 (mtpp) REVERT: q 284 GLN cc_start: 0.8441 (OUTLIER) cc_final: 0.7944 (mp10) REVERT: r 207 LYS cc_start: 0.8688 (OUTLIER) cc_final: 0.8373 (mtpp) REVERT: r 236 ASN cc_start: 0.8420 (OUTLIER) cc_final: 0.8034 (p0) REVERT: r 239 VAL cc_start: 0.9157 (OUTLIER) cc_final: 0.8854 (m) REVERT: s 127 THR cc_start: 0.8961 (m) cc_final: 0.8690 (m) REVERT: s 284 GLN cc_start: 0.8435 (OUTLIER) cc_final: 0.8025 (mp10) REVERT: s 345 GLN cc_start: 0.8144 (mt0) cc_final: 0.7904 (mt0) REVERT: t 61 ARG cc_start: 0.7855 (OUTLIER) cc_final: 0.7589 (mtt90) REVERT: u 61 ARG cc_start: 0.7849 (OUTLIER) cc_final: 0.7598 (mtt90) REVERT: v 61 ARG cc_start: 0.7849 (OUTLIER) cc_final: 0.7582 (mtt90) REVERT: w 61 ARG cc_start: 0.7972 (OUTLIER) cc_final: 0.6994 (mtm180) REVERT: w 80 MET cc_start: 0.9047 (ptp) cc_final: 0.8781 (pmt) REVERT: w 127 THR cc_start: 0.8960 (m) cc_final: 0.8687 (m) REVERT: w 284 GLN cc_start: 0.8436 (OUTLIER) cc_final: 0.8037 (mp10) REVERT: x 80 MET cc_start: 0.9205 (ptt) cc_final: 0.8792 (ptt) REVERT: x 88 MET cc_start: 0.9106 (mmm) cc_final: 0.8844 (mmm) REVERT: x 112 MET cc_start: 0.8627 (tmm) cc_final: 0.8413 (tmm) REVERT: y 61 ARG cc_start: 0.7935 (OUTLIER) cc_final: 0.7689 (mtt90) REVERT: y 88 MET cc_start: 0.8877 (mmm) cc_final: 0.8532 (mmm) REVERT: y 284 GLN cc_start: 0.8564 (OUTLIER) cc_final: 0.7953 (mp10) REVERT: z 61 ARG cc_start: 0.7942 (OUTLIER) cc_final: 0.7715 (mtt90) REVERT: z 88 MET cc_start: 0.8909 (mmm) cc_final: 0.8517 (mmm) REVERT: z 92 CYS cc_start: 0.8216 (OUTLIER) cc_final: 0.8004 (p) REVERT: z 284 GLN cc_start: 0.8565 (OUTLIER) cc_final: 0.7959 (mp10) REVERT: 1 61 ARG cc_start: 0.7932 (OUTLIER) cc_final: 0.7677 (mtt90) REVERT: 1 92 CYS cc_start: 0.8238 (OUTLIER) cc_final: 0.8017 (p) REVERT: 1 284 GLN cc_start: 0.8563 (OUTLIER) cc_final: 0.7955 (mp10) REVERT: 2 61 ARG cc_start: 0.7893 (OUTLIER) cc_final: 0.7620 (mtt90) REVERT: 2 80 MET cc_start: 0.9155 (ptt) cc_final: 0.8766 (ptt) REVERT: 2 284 GLN cc_start: 0.8452 (OUTLIER) cc_final: 0.7937 (mp10) outliers start: 772 outliers final: 557 residues processed: 3117 average time/residue: 1.6973 time to fit residues: 7934.4705 Evaluate side-chains 3278 residues out of total 17520 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 664 poor density : 2614 time to evaluate : 11.813 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 61 ARG Chi-restraints excluded: chain A residue 85 TRP Chi-restraints excluded: chain A residue 87 VAL Chi-restraints excluded: chain A residue 112 MET Chi-restraints excluded: chain A residue 129 SER Chi-restraints excluded: chain A residue 176 THR Chi-restraints excluded: chain A residue 182 SER Chi-restraints excluded: chain A residue 232 SER Chi-restraints excluded: chain A residue 239 VAL Chi-restraints excluded: chain A residue 260 VAL Chi-restraints excluded: chain A residue 281 ASN Chi-restraints excluded: chain A residue 284 GLN Chi-restraints excluded: chain A residue 317 ASN Chi-restraints excluded: chain A residue 340 LYS Chi-restraints excluded: chain B residue 57 MET Chi-restraints excluded: chain B residue 61 ARG Chi-restraints excluded: chain B residue 124 VAL Chi-restraints excluded: chain B residue 129 SER Chi-restraints excluded: chain B residue 147 THR Chi-restraints excluded: chain B residue 176 THR Chi-restraints excluded: chain B residue 191 SER Chi-restraints excluded: chain B residue 239 VAL Chi-restraints excluded: chain B residue 254 THR Chi-restraints excluded: chain B residue 259 ASN Chi-restraints excluded: chain B residue 260 VAL Chi-restraints excluded: chain B residue 284 GLN Chi-restraints excluded: chain B residue 313 SER Chi-restraints excluded: chain B residue 350 CYS Chi-restraints excluded: chain C residue 176 THR Chi-restraints excluded: chain C residue 191 SER Chi-restraints excluded: chain C residue 232 SER Chi-restraints excluded: chain C residue 239 VAL Chi-restraints excluded: chain C residue 243 ASN Chi-restraints excluded: chain C residue 260 VAL Chi-restraints excluded: chain C residue 313 SER Chi-restraints excluded: chain C residue 317 ASN Chi-restraints excluded: chain C residue 350 CYS Chi-restraints excluded: chain D residue 57 MET Chi-restraints excluded: chain D residue 61 ARG Chi-restraints excluded: chain D residue 92 CYS Chi-restraints excluded: chain D residue 129 SER Chi-restraints excluded: chain D residue 182 SER Chi-restraints excluded: chain D residue 191 SER Chi-restraints excluded: chain D residue 260 VAL Chi-restraints excluded: chain D residue 284 GLN Chi-restraints excluded: chain D residue 317 ASN Chi-restraints excluded: chain E residue 61 ARG Chi-restraints excluded: chain E residue 112 MET Chi-restraints excluded: chain E residue 116 CYS Chi-restraints excluded: chain E residue 124 VAL Chi-restraints excluded: chain E residue 169 LYS Chi-restraints excluded: chain E residue 182 SER Chi-restraints excluded: chain E residue 186 LEU Chi-restraints excluded: chain E residue 191 SER Chi-restraints excluded: chain E residue 207 LYS Chi-restraints excluded: chain E residue 239 VAL Chi-restraints excluded: chain E residue 246 MET Chi-restraints excluded: chain E residue 260 VAL Chi-restraints excluded: chain E residue 284 GLN Chi-restraints excluded: chain E residue 313 SER Chi-restraints excluded: chain E residue 353 VAL Chi-restraints excluded: chain F residue 61 ARG Chi-restraints excluded: chain F residue 85 TRP Chi-restraints excluded: chain F residue 87 VAL Chi-restraints excluded: chain F residue 112 MET Chi-restraints excluded: chain F residue 147 THR Chi-restraints excluded: chain F residue 176 THR Chi-restraints excluded: chain F residue 232 SER Chi-restraints excluded: chain F residue 239 VAL Chi-restraints excluded: chain F residue 258 ILE Chi-restraints excluded: chain F residue 260 VAL Chi-restraints excluded: chain F residue 284 GLN Chi-restraints excluded: chain F residue 292 THR Chi-restraints excluded: chain F residue 317 ASN Chi-restraints excluded: chain F residue 340 LYS Chi-restraints excluded: chain G residue 61 ARG Chi-restraints excluded: chain G residue 112 MET Chi-restraints excluded: chain G residue 116 CYS Chi-restraints excluded: chain G residue 124 VAL Chi-restraints excluded: chain G residue 182 SER Chi-restraints excluded: chain G residue 186 LEU Chi-restraints excluded: chain G residue 207 LYS Chi-restraints excluded: chain G residue 239 VAL Chi-restraints excluded: chain G residue 246 MET Chi-restraints excluded: chain G residue 260 VAL Chi-restraints excluded: chain G residue 313 SER Chi-restraints excluded: chain G residue 318 LEU Chi-restraints excluded: chain G residue 353 VAL Chi-restraints excluded: chain H residue 57 MET Chi-restraints excluded: chain H residue 61 ARG Chi-restraints excluded: chain H residue 129 SER Chi-restraints excluded: chain H residue 182 SER Chi-restraints excluded: chain H residue 191 SER Chi-restraints excluded: chain H residue 260 VAL Chi-restraints excluded: chain H residue 284 GLN Chi-restraints excluded: chain I residue 176 THR Chi-restraints excluded: chain I residue 191 SER Chi-restraints excluded: chain I residue 207 LYS Chi-restraints excluded: chain I residue 232 SER Chi-restraints excluded: chain I residue 239 VAL Chi-restraints excluded: chain I residue 243 ASN Chi-restraints excluded: chain I residue 260 VAL Chi-restraints excluded: chain I residue 317 ASN Chi-restraints excluded: chain I residue 350 CYS Chi-restraints excluded: chain J residue 57 MET Chi-restraints excluded: chain J residue 61 ARG Chi-restraints excluded: chain J residue 129 SER Chi-restraints excluded: chain J residue 147 THR Chi-restraints excluded: chain J residue 176 THR Chi-restraints excluded: chain J residue 239 VAL Chi-restraints excluded: chain J residue 254 THR Chi-restraints excluded: chain J residue 260 VAL Chi-restraints excluded: chain J residue 284 GLN Chi-restraints excluded: chain J residue 313 SER Chi-restraints excluded: chain J residue 350 CYS Chi-restraints excluded: chain K residue 176 THR Chi-restraints excluded: chain K residue 191 SER Chi-restraints excluded: chain K residue 239 VAL Chi-restraints excluded: chain K residue 243 ASN Chi-restraints excluded: chain K residue 260 VAL Chi-restraints excluded: chain K residue 313 SER Chi-restraints excluded: chain K residue 317 ASN Chi-restraints excluded: chain L residue 57 MET Chi-restraints excluded: chain L residue 61 ARG Chi-restraints excluded: chain L residue 123 LYS Chi-restraints excluded: chain L residue 129 SER Chi-restraints excluded: chain L residue 147 THR Chi-restraints excluded: chain L residue 176 THR Chi-restraints excluded: chain L residue 239 VAL Chi-restraints excluded: chain L residue 254 THR Chi-restraints excluded: chain L residue 260 VAL Chi-restraints excluded: chain L residue 284 GLN Chi-restraints excluded: chain L residue 313 SER Chi-restraints excluded: chain L residue 350 CYS Chi-restraints excluded: chain M residue 61 ARG Chi-restraints excluded: chain M residue 112 MET Chi-restraints excluded: chain M residue 116 CYS Chi-restraints excluded: chain M residue 124 VAL Chi-restraints excluded: chain M residue 182 SER Chi-restraints excluded: chain M residue 186 LEU Chi-restraints excluded: chain M residue 207 LYS Chi-restraints excluded: chain M residue 239 VAL Chi-restraints excluded: chain M residue 246 MET Chi-restraints excluded: chain M residue 260 VAL Chi-restraints excluded: chain M residue 318 LEU Chi-restraints excluded: chain M residue 353 VAL Chi-restraints excluded: chain N residue 57 MET Chi-restraints excluded: chain N residue 61 ARG Chi-restraints excluded: chain N residue 92 CYS Chi-restraints excluded: chain N residue 129 SER Chi-restraints excluded: chain N residue 191 SER Chi-restraints excluded: chain N residue 284 GLN Chi-restraints excluded: chain O residue 61 ARG Chi-restraints excluded: chain O residue 112 MET Chi-restraints excluded: chain O residue 116 CYS Chi-restraints excluded: chain O residue 124 VAL Chi-restraints excluded: chain O residue 169 LYS Chi-restraints excluded: chain O residue 182 SER Chi-restraints excluded: chain O residue 186 LEU Chi-restraints excluded: chain O residue 207 LYS Chi-restraints excluded: chain O residue 239 VAL Chi-restraints excluded: chain O residue 260 VAL Chi-restraints excluded: chain O residue 284 GLN Chi-restraints excluded: chain O residue 318 LEU Chi-restraints excluded: chain O residue 353 VAL Chi-restraints excluded: chain P residue 57 MET Chi-restraints excluded: chain P residue 61 ARG Chi-restraints excluded: chain P residue 92 CYS Chi-restraints excluded: chain P residue 129 SER Chi-restraints excluded: chain P residue 182 SER Chi-restraints excluded: chain P residue 191 SER Chi-restraints excluded: chain P residue 284 GLN Chi-restraints excluded: chain Q residue 176 THR Chi-restraints excluded: chain Q residue 191 SER Chi-restraints excluded: chain Q residue 207 LYS Chi-restraints excluded: chain Q residue 239 VAL Chi-restraints excluded: chain Q residue 243 ASN Chi-restraints excluded: chain Q residue 260 VAL Chi-restraints excluded: chain Q residue 317 ASN Chi-restraints excluded: chain Q residue 350 CYS Chi-restraints excluded: chain R residue 57 MET Chi-restraints excluded: chain R residue 61 ARG Chi-restraints excluded: chain R residue 123 LYS Chi-restraints excluded: chain R residue 129 SER Chi-restraints excluded: chain R residue 147 THR Chi-restraints excluded: chain R residue 176 THR Chi-restraints excluded: chain R residue 191 SER Chi-restraints excluded: chain R residue 239 VAL Chi-restraints excluded: chain R residue 254 THR Chi-restraints excluded: chain R residue 260 VAL Chi-restraints excluded: chain R residue 284 GLN Chi-restraints excluded: chain R residue 313 SER Chi-restraints excluded: chain R residue 350 CYS Chi-restraints excluded: chain S residue 57 MET Chi-restraints excluded: chain S residue 61 ARG Chi-restraints excluded: chain S residue 123 LYS Chi-restraints excluded: chain S residue 129 SER Chi-restraints excluded: chain S residue 147 THR Chi-restraints excluded: chain S residue 176 THR Chi-restraints excluded: chain S residue 239 VAL Chi-restraints excluded: chain S residue 254 THR Chi-restraints excluded: chain S residue 260 VAL Chi-restraints excluded: chain S residue 284 GLN Chi-restraints excluded: chain S residue 313 SER Chi-restraints excluded: chain S residue 350 CYS Chi-restraints excluded: chain T residue 176 THR Chi-restraints excluded: chain T residue 191 SER Chi-restraints excluded: chain T residue 239 VAL Chi-restraints excluded: chain T residue 243 ASN Chi-restraints excluded: chain T residue 260 VAL Chi-restraints excluded: chain T residue 313 SER Chi-restraints excluded: chain T residue 317 ASN Chi-restraints excluded: chain U residue 57 MET Chi-restraints excluded: chain U residue 61 ARG Chi-restraints excluded: chain U residue 123 LYS Chi-restraints excluded: chain U residue 129 SER Chi-restraints excluded: chain U residue 147 THR Chi-restraints excluded: chain U residue 176 THR Chi-restraints excluded: chain U residue 239 VAL Chi-restraints excluded: chain U residue 254 THR Chi-restraints excluded: chain U residue 260 VAL Chi-restraints excluded: chain U residue 284 GLN Chi-restraints excluded: chain U residue 313 SER Chi-restraints excluded: chain U residue 350 CYS Chi-restraints excluded: chain V residue 176 THR Chi-restraints excluded: chain V residue 191 SER Chi-restraints excluded: chain V residue 232 SER Chi-restraints excluded: chain V residue 239 VAL Chi-restraints excluded: chain V residue 243 ASN Chi-restraints excluded: chain V residue 260 VAL Chi-restraints excluded: chain V residue 313 SER Chi-restraints excluded: chain V residue 317 ASN Chi-restraints excluded: chain V residue 350 CYS Chi-restraints excluded: chain W residue 57 MET Chi-restraints excluded: chain W residue 61 ARG Chi-restraints excluded: chain W residue 80 MET Chi-restraints excluded: chain W residue 92 CYS Chi-restraints excluded: chain W residue 129 SER Chi-restraints excluded: chain W residue 182 SER Chi-restraints excluded: chain W residue 191 SER Chi-restraints excluded: chain W residue 260 VAL Chi-restraints excluded: chain W residue 284 GLN Chi-restraints excluded: chain X residue 61 ARG Chi-restraints excluded: chain X residue 112 MET Chi-restraints excluded: chain X residue 116 CYS Chi-restraints excluded: chain X residue 124 VAL Chi-restraints excluded: chain X residue 169 LYS Chi-restraints excluded: chain X residue 182 SER Chi-restraints excluded: chain X residue 186 LEU Chi-restraints excluded: chain X residue 207 LYS Chi-restraints excluded: chain X residue 239 VAL Chi-restraints excluded: chain X residue 246 MET Chi-restraints excluded: chain X residue 260 VAL Chi-restraints excluded: chain X residue 318 LEU Chi-restraints excluded: chain X residue 353 VAL Chi-restraints excluded: chain Y residue 57 MET Chi-restraints excluded: chain Y residue 61 ARG Chi-restraints excluded: chain Y residue 80 MET Chi-restraints excluded: chain Y residue 129 SER Chi-restraints excluded: chain Y residue 182 SER Chi-restraints excluded: chain Y residue 191 SER Chi-restraints excluded: chain Y residue 284 GLN Chi-restraints excluded: chain Y residue 317 ASN Chi-restraints excluded: chain Z residue 61 ARG Chi-restraints excluded: chain Z residue 112 MET Chi-restraints excluded: chain Z residue 116 CYS Chi-restraints excluded: chain Z residue 124 VAL Chi-restraints excluded: chain Z residue 182 SER Chi-restraints excluded: chain Z residue 186 LEU Chi-restraints excluded: chain Z residue 207 LYS Chi-restraints excluded: chain Z residue 239 VAL Chi-restraints excluded: chain Z residue 246 MET Chi-restraints excluded: chain Z residue 260 VAL Chi-restraints excluded: chain Z residue 284 GLN Chi-restraints excluded: chain Z residue 318 LEU Chi-restraints excluded: chain Z residue 353 VAL Chi-restraints excluded: chain 8 residue 61 ARG Chi-restraints excluded: chain 8 residue 85 TRP Chi-restraints excluded: chain 8 residue 87 VAL Chi-restraints excluded: chain 8 residue 112 MET Chi-restraints excluded: chain 8 residue 135 SER Chi-restraints excluded: chain 8 residue 176 THR Chi-restraints excluded: chain 8 residue 232 SER Chi-restraints excluded: chain 8 residue 239 VAL Chi-restraints excluded: chain 8 residue 258 ILE Chi-restraints excluded: chain 8 residue 260 VAL Chi-restraints excluded: chain 8 residue 284 GLN Chi-restraints excluded: chain 8 residue 292 THR Chi-restraints excluded: chain 7 residue 61 ARG Chi-restraints excluded: chain 7 residue 85 TRP Chi-restraints excluded: chain 7 residue 87 VAL Chi-restraints excluded: chain 7 residue 112 MET Chi-restraints excluded: chain 7 residue 176 THR Chi-restraints excluded: chain 7 residue 182 SER Chi-restraints excluded: chain 7 residue 239 VAL Chi-restraints excluded: chain 7 residue 258 ILE Chi-restraints excluded: chain 7 residue 260 VAL Chi-restraints excluded: chain 7 residue 281 ASN Chi-restraints excluded: chain 7 residue 284 GLN Chi-restraints excluded: chain 7 residue 292 THR Chi-restraints excluded: chain 7 residue 313 SER Chi-restraints excluded: chain 6 residue 61 ARG Chi-restraints excluded: chain 6 residue 85 TRP Chi-restraints excluded: chain 6 residue 87 VAL Chi-restraints excluded: chain 6 residue 112 MET Chi-restraints excluded: chain 6 residue 135 SER Chi-restraints excluded: chain 6 residue 176 THR Chi-restraints excluded: chain 6 residue 182 SER Chi-restraints excluded: chain 6 residue 232 SER Chi-restraints excluded: chain 6 residue 239 VAL Chi-restraints excluded: chain 6 residue 247 ASN Chi-restraints excluded: chain 6 residue 258 ILE Chi-restraints excluded: chain 6 residue 260 VAL Chi-restraints excluded: chain 6 residue 281 ASN Chi-restraints excluded: chain 6 residue 284 GLN Chi-restraints excluded: chain 6 residue 292 THR Chi-restraints excluded: chain 5 residue 61 ARG Chi-restraints excluded: chain 5 residue 80 MET Chi-restraints excluded: chain 5 residue 85 TRP Chi-restraints excluded: chain 5 residue 87 VAL Chi-restraints excluded: chain 5 residue 112 MET Chi-restraints excluded: chain 5 residue 135 SER Chi-restraints excluded: chain 5 residue 176 THR Chi-restraints excluded: chain 5 residue 182 SER Chi-restraints excluded: chain 5 residue 232 SER Chi-restraints excluded: chain 5 residue 239 VAL Chi-restraints excluded: chain 5 residue 258 ILE Chi-restraints excluded: chain 5 residue 260 VAL Chi-restraints excluded: chain 5 residue 281 ASN Chi-restraints excluded: chain 5 residue 284 GLN Chi-restraints excluded: chain 5 residue 313 SER Chi-restraints excluded: chain 5 residue 317 ASN Chi-restraints excluded: chain 4 residue 61 ARG Chi-restraints excluded: chain 4 residue 85 TRP Chi-restraints excluded: chain 4 residue 87 VAL Chi-restraints excluded: chain 4 residue 112 MET Chi-restraints excluded: chain 4 residue 135 SER Chi-restraints excluded: chain 4 residue 176 THR Chi-restraints excluded: chain 4 residue 232 SER Chi-restraints excluded: chain 4 residue 239 VAL Chi-restraints excluded: chain 4 residue 258 ILE Chi-restraints excluded: chain 4 residue 260 VAL Chi-restraints excluded: chain 4 residue 281 ASN Chi-restraints excluded: chain 4 residue 284 GLN Chi-restraints excluded: chain 4 residue 313 SER Chi-restraints excluded: chain 4 residue 340 LYS Chi-restraints excluded: chain 3 residue 61 ARG Chi-restraints excluded: chain 3 residue 85 TRP Chi-restraints excluded: chain 3 residue 87 VAL Chi-restraints excluded: chain 3 residue 112 MET Chi-restraints excluded: chain 3 residue 147 THR Chi-restraints excluded: chain 3 residue 176 THR Chi-restraints excluded: chain 3 residue 232 SER Chi-restraints excluded: chain 3 residue 239 VAL Chi-restraints excluded: chain 3 residue 258 ILE Chi-restraints excluded: chain 3 residue 260 VAL Chi-restraints excluded: chain 3 residue 284 GLN Chi-restraints excluded: chain 3 residue 313 SER Chi-restraints excluded: chain 3 residue 317 ASN Chi-restraints excluded: chain a residue 176 THR Chi-restraints excluded: chain a residue 191 SER Chi-restraints excluded: chain a residue 239 VAL Chi-restraints excluded: chain a residue 243 ASN Chi-restraints excluded: chain a residue 260 VAL Chi-restraints excluded: chain a residue 313 SER Chi-restraints excluded: chain a residue 317 ASN Chi-restraints excluded: chain a residue 350 CYS Chi-restraints excluded: chain b residue 48 GLN Chi-restraints excluded: chain b residue 61 ARG Chi-restraints excluded: chain b residue 112 MET Chi-restraints excluded: chain b residue 116 CYS Chi-restraints excluded: chain b residue 124 VAL Chi-restraints excluded: chain b residue 182 SER Chi-restraints excluded: chain b residue 186 LEU Chi-restraints excluded: chain b residue 207 LYS Chi-restraints excluded: chain b residue 239 VAL Chi-restraints excluded: chain b residue 246 MET Chi-restraints excluded: chain b residue 260 VAL Chi-restraints excluded: chain b residue 284 GLN Chi-restraints excluded: chain b residue 318 LEU Chi-restraints excluded: chain c residue 57 MET Chi-restraints excluded: chain c residue 61 ARG Chi-restraints excluded: chain c residue 80 MET Chi-restraints excluded: chain c residue 129 SER Chi-restraints excluded: chain c residue 191 SER Chi-restraints excluded: chain c residue 284 GLN Chi-restraints excluded: chain c residue 318 LEU Chi-restraints excluded: chain d residue 57 MET Chi-restraints excluded: chain d residue 61 ARG Chi-restraints excluded: chain d residue 92 CYS Chi-restraints excluded: chain d residue 129 SER Chi-restraints excluded: chain d residue 182 SER Chi-restraints excluded: chain d residue 191 SER Chi-restraints excluded: chain d residue 284 GLN Chi-restraints excluded: chain e residue 57 MET Chi-restraints excluded: chain e residue 61 ARG Chi-restraints excluded: chain e residue 129 SER Chi-restraints excluded: chain e residue 191 SER Chi-restraints excluded: chain e residue 284 GLN Chi-restraints excluded: chain e residue 317 ASN Chi-restraints excluded: chain f residue 61 ARG Chi-restraints excluded: chain f residue 112 MET Chi-restraints excluded: chain f residue 116 CYS Chi-restraints excluded: chain f residue 124 VAL Chi-restraints excluded: chain f residue 182 SER Chi-restraints excluded: chain f residue 186 LEU Chi-restraints excluded: chain f residue 207 LYS Chi-restraints excluded: chain f residue 239 VAL Chi-restraints excluded: chain f residue 260 VAL Chi-restraints excluded: chain f residue 284 GLN Chi-restraints excluded: chain f residue 318 LEU Chi-restraints excluded: chain g residue 176 THR Chi-restraints excluded: chain g residue 191 SER Chi-restraints excluded: chain g residue 232 SER Chi-restraints excluded: chain g residue 239 VAL Chi-restraints excluded: chain g residue 243 ASN Chi-restraints excluded: chain g residue 260 VAL Chi-restraints excluded: chain g residue 313 SER Chi-restraints excluded: chain g residue 317 ASN Chi-restraints excluded: chain h residue 61 ARG Chi-restraints excluded: chain h residue 85 TRP Chi-restraints excluded: chain h residue 87 VAL Chi-restraints excluded: chain h residue 112 MET Chi-restraints excluded: chain h residue 135 SER Chi-restraints excluded: chain h residue 176 THR Chi-restraints excluded: chain h residue 232 SER Chi-restraints excluded: chain h residue 239 VAL Chi-restraints excluded: chain h residue 258 ILE Chi-restraints excluded: chain h residue 260 VAL Chi-restraints excluded: chain h residue 284 GLN Chi-restraints excluded: chain h residue 313 SER Chi-restraints excluded: chain h residue 317 ASN Chi-restraints excluded: chain i residue 61 ARG Chi-restraints excluded: chain i residue 112 MET Chi-restraints excluded: chain i residue 116 CYS Chi-restraints excluded: chain i residue 124 VAL Chi-restraints excluded: chain i residue 169 LYS Chi-restraints excluded: chain i residue 182 SER Chi-restraints excluded: chain i residue 186 LEU Chi-restraints excluded: chain i residue 207 LYS Chi-restraints excluded: chain i residue 239 VAL Chi-restraints excluded: chain i residue 246 MET Chi-restraints excluded: chain i residue 260 VAL Chi-restraints excluded: chain i residue 284 GLN Chi-restraints excluded: chain i residue 318 LEU Chi-restraints excluded: chain j residue 176 THR Chi-restraints excluded: chain j residue 191 SER Chi-restraints excluded: chain j residue 232 SER Chi-restraints excluded: chain j residue 236 ASN Chi-restraints excluded: chain j residue 239 VAL Chi-restraints excluded: chain j residue 243 ASN Chi-restraints excluded: chain j residue 260 VAL Chi-restraints excluded: chain j residue 313 SER Chi-restraints excluded: chain j residue 317 ASN Chi-restraints excluded: chain j residue 350 CYS Chi-restraints excluded: chain k residue 57 MET Chi-restraints excluded: chain k residue 61 ARG Chi-restraints excluded: chain k residue 123 LYS Chi-restraints excluded: chain k residue 129 SER Chi-restraints excluded: chain k residue 147 THR Chi-restraints excluded: chain k residue 176 THR Chi-restraints excluded: chain k residue 191 SER Chi-restraints excluded: chain k residue 239 VAL Chi-restraints excluded: chain k residue 254 THR Chi-restraints excluded: chain k residue 260 VAL Chi-restraints excluded: chain k residue 284 GLN Chi-restraints excluded: chain k residue 313 SER Chi-restraints excluded: chain k residue 350 CYS Chi-restraints excluded: chain l residue 57 MET Chi-restraints excluded: chain l residue 61 ARG Chi-restraints excluded: chain l residue 123 LYS Chi-restraints excluded: chain l residue 124 VAL Chi-restraints excluded: chain l residue 129 SER Chi-restraints excluded: chain l residue 147 THR Chi-restraints excluded: chain l residue 176 THR Chi-restraints excluded: chain l residue 232 SER Chi-restraints excluded: chain l residue 239 VAL Chi-restraints excluded: chain l residue 254 THR Chi-restraints excluded: chain l residue 260 VAL Chi-restraints excluded: chain l residue 284 GLN Chi-restraints excluded: chain l residue 313 SER Chi-restraints excluded: chain l residue 350 CYS Chi-restraints excluded: chain m residue 57 MET Chi-restraints excluded: chain m residue 61 ARG Chi-restraints excluded: chain m residue 123 LYS Chi-restraints excluded: chain m residue 129 SER Chi-restraints excluded: chain m residue 147 THR Chi-restraints excluded: chain m residue 176 THR Chi-restraints excluded: chain m residue 191 SER Chi-restraints excluded: chain m residue 239 VAL Chi-restraints excluded: chain m residue 254 THR Chi-restraints excluded: chain m residue 260 VAL Chi-restraints excluded: chain m residue 284 GLN Chi-restraints excluded: chain m residue 313 SER Chi-restraints excluded: chain m residue 350 CYS Chi-restraints excluded: chain n residue 61 ARG Chi-restraints excluded: chain n residue 112 MET Chi-restraints excluded: chain n residue 116 CYS Chi-restraints excluded: chain n residue 124 VAL Chi-restraints excluded: chain n residue 186 LEU Chi-restraints excluded: chain n residue 207 LYS Chi-restraints excluded: chain n residue 239 VAL Chi-restraints excluded: chain n residue 246 MET Chi-restraints excluded: chain n residue 260 VAL Chi-restraints excluded: chain n residue 284 GLN Chi-restraints excluded: chain n residue 313 SER Chi-restraints excluded: chain n residue 318 LEU Chi-restraints excluded: chain o residue 176 THR Chi-restraints excluded: chain o residue 191 SER Chi-restraints excluded: chain o residue 207 LYS Chi-restraints excluded: chain o residue 239 VAL Chi-restraints excluded: chain o residue 243 ASN Chi-restraints excluded: chain o residue 260 VAL Chi-restraints excluded: chain o residue 313 SER Chi-restraints excluded: chain o residue 317 ASN Chi-restraints excluded: chain o residue 350 CYS Chi-restraints excluded: chain p residue 61 ARG Chi-restraints excluded: chain p residue 85 TRP Chi-restraints excluded: chain p residue 87 VAL Chi-restraints excluded: chain p residue 112 MET Chi-restraints excluded: chain p residue 176 THR Chi-restraints excluded: chain p residue 232 SER Chi-restraints excluded: chain p residue 239 VAL Chi-restraints excluded: chain p residue 258 ILE Chi-restraints excluded: chain p residue 260 VAL Chi-restraints excluded: chain p residue 284 GLN Chi-restraints excluded: chain p residue 292 THR Chi-restraints excluded: chain p residue 313 SER Chi-restraints excluded: chain p residue 317 ASN Chi-restraints excluded: chain p residue 340 LYS Chi-restraints excluded: chain q residue 112 MET Chi-restraints excluded: chain q residue 116 CYS Chi-restraints excluded: chain q residue 124 VAL Chi-restraints excluded: chain q residue 169 LYS Chi-restraints excluded: chain q residue 186 LEU Chi-restraints excluded: chain q residue 207 LYS Chi-restraints excluded: chain q residue 239 VAL Chi-restraints excluded: chain q residue 246 MET Chi-restraints excluded: chain q residue 260 VAL Chi-restraints excluded: chain q residue 284 GLN Chi-restraints excluded: chain q residue 313 SER Chi-restraints excluded: chain q residue 353 VAL Chi-restraints excluded: chain r residue 176 THR Chi-restraints excluded: chain r residue 191 SER Chi-restraints excluded: chain r residue 207 LYS Chi-restraints excluded: chain r residue 236 ASN Chi-restraints excluded: chain r residue 239 VAL Chi-restraints excluded: chain r residue 243 ASN Chi-restraints excluded: chain r residue 260 VAL Chi-restraints excluded: chain r residue 313 SER Chi-restraints excluded: chain r residue 317 ASN Chi-restraints excluded: chain r residue 350 CYS Chi-restraints excluded: chain s residue 61 ARG Chi-restraints excluded: chain s residue 85 TRP Chi-restraints excluded: chain s residue 87 VAL Chi-restraints excluded: chain s residue 112 MET Chi-restraints excluded: chain s residue 129 SER Chi-restraints excluded: chain s residue 135 SER Chi-restraints excluded: chain s residue 176 THR Chi-restraints excluded: chain s residue 182 SER Chi-restraints excluded: chain s residue 232 SER Chi-restraints excluded: chain s residue 239 VAL Chi-restraints excluded: chain s residue 259 ASN Chi-restraints excluded: chain s residue 260 VAL Chi-restraints excluded: chain s residue 281 ASN Chi-restraints excluded: chain s residue 284 GLN Chi-restraints excluded: chain s residue 292 THR Chi-restraints excluded: chain s residue 313 SER Chi-restraints excluded: chain s residue 317 ASN Chi-restraints excluded: chain s residue 340 LYS Chi-restraints excluded: chain t residue 57 MET Chi-restraints excluded: chain t residue 61 ARG Chi-restraints excluded: chain t residue 123 LYS Chi-restraints excluded: chain t residue 129 SER Chi-restraints excluded: chain t residue 147 THR Chi-restraints excluded: chain t residue 176 THR Chi-restraints excluded: chain t residue 191 SER Chi-restraints excluded: chain t residue 239 VAL Chi-restraints excluded: chain t residue 254 THR Chi-restraints excluded: chain t residue 259 ASN Chi-restraints excluded: chain t residue 260 VAL Chi-restraints excluded: chain t residue 284 GLN Chi-restraints excluded: chain t residue 350 CYS Chi-restraints excluded: chain u residue 57 MET Chi-restraints excluded: chain u residue 61 ARG Chi-restraints excluded: chain u residue 123 LYS Chi-restraints excluded: chain u residue 129 SER Chi-restraints excluded: chain u residue 147 THR Chi-restraints excluded: chain u residue 176 THR Chi-restraints excluded: chain u residue 191 SER Chi-restraints excluded: chain u residue 232 SER Chi-restraints excluded: chain u residue 239 VAL Chi-restraints excluded: chain u residue 254 THR Chi-restraints excluded: chain u residue 260 VAL Chi-restraints excluded: chain u residue 284 GLN Chi-restraints excluded: chain u residue 313 SER Chi-restraints excluded: chain u residue 350 CYS Chi-restraints excluded: chain v residue 57 MET Chi-restraints excluded: chain v residue 61 ARG Chi-restraints excluded: chain v residue 123 LYS Chi-restraints excluded: chain v residue 129 SER Chi-restraints excluded: chain v residue 147 THR Chi-restraints excluded: chain v residue 176 THR Chi-restraints excluded: chain v residue 239 VAL Chi-restraints excluded: chain v residue 254 THR Chi-restraints excluded: chain v residue 260 VAL Chi-restraints excluded: chain v residue 284 GLN Chi-restraints excluded: chain v residue 313 SER Chi-restraints excluded: chain v residue 350 CYS Chi-restraints excluded: chain w residue 61 ARG Chi-restraints excluded: chain w residue 85 TRP Chi-restraints excluded: chain w residue 87 VAL Chi-restraints excluded: chain w residue 112 MET Chi-restraints excluded: chain w residue 135 SER Chi-restraints excluded: chain w residue 176 THR Chi-restraints excluded: chain w residue 232 SER Chi-restraints excluded: chain w residue 239 VAL Chi-restraints excluded: chain w residue 258 ILE Chi-restraints excluded: chain w residue 260 VAL Chi-restraints excluded: chain w residue 284 GLN Chi-restraints excluded: chain w residue 292 THR Chi-restraints excluded: chain w residue 313 SER Chi-restraints excluded: chain w residue 317 ASN Chi-restraints excluded: chain x residue 176 THR Chi-restraints excluded: chain x residue 191 SER Chi-restraints excluded: chain x residue 239 VAL Chi-restraints excluded: chain x residue 243 ASN Chi-restraints excluded: chain x residue 260 VAL Chi-restraints excluded: chain x residue 313 SER Chi-restraints excluded: chain x residue 317 ASN Chi-restraints excluded: chain y residue 57 MET Chi-restraints excluded: chain y residue 61 ARG Chi-restraints excluded: chain y residue 129 SER Chi-restraints excluded: chain y residue 182 SER Chi-restraints excluded: chain y residue 191 SER Chi-restraints excluded: chain y residue 284 GLN Chi-restraints excluded: chain z residue 57 MET Chi-restraints excluded: chain z residue 61 ARG Chi-restraints excluded: chain z residue 92 CYS Chi-restraints excluded: chain z residue 129 SER Chi-restraints excluded: chain z residue 182 SER Chi-restraints excluded: chain z residue 191 SER Chi-restraints excluded: chain z residue 284 GLN Chi-restraints excluded: chain z residue 317 ASN Chi-restraints excluded: chain 1 residue 57 MET Chi-restraints excluded: chain 1 residue 61 ARG Chi-restraints excluded: chain 1 residue 92 CYS Chi-restraints excluded: chain 1 residue 129 SER Chi-restraints excluded: chain 1 residue 182 SER Chi-restraints excluded: chain 1 residue 191 SER Chi-restraints excluded: chain 1 residue 260 VAL Chi-restraints excluded: chain 1 residue 284 GLN Chi-restraints excluded: chain 1 residue 317 ASN Chi-restraints excluded: chain 2 residue 61 ARG Chi-restraints excluded: chain 2 residue 112 MET Chi-restraints excluded: chain 2 residue 116 CYS Chi-restraints excluded: chain 2 residue 124 VAL Chi-restraints excluded: chain 2 residue 169 LYS Chi-restraints excluded: chain 2 residue 182 SER Chi-restraints excluded: chain 2 residue 186 LEU Chi-restraints excluded: chain 2 residue 239 VAL Chi-restraints excluded: chain 2 residue 260 VAL Chi-restraints excluded: chain 2 residue 284 GLN Chi-restraints excluded: chain 2 residue 318 LEU Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1980 random chunks: chunk 963 optimal weight: 6.9990 chunk 1247 optimal weight: 5.9990 chunk 1673 optimal weight: 10.0000 chunk 481 optimal weight: 0.7980 chunk 1448 optimal weight: 6.9990 chunk 231 optimal weight: 9.9990 chunk 436 optimal weight: 0.9980 chunk 1573 optimal weight: 6.9990 chunk 658 optimal weight: 0.0670 chunk 1615 optimal weight: 2.9990 chunk 199 optimal weight: 4.9990 overall best weight: 1.9722 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 319 ASN ** B 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 345 GLN B 368 HIS C 68 ASN ** C 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 236 ASN C 284 GLN ** D 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 259 ASN ** D 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 319 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 259 ASN ** E 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 319 ASN ** G 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 259 ASN ** G 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 259 ASN ** H 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 68 ASN ** I 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 236 ASN I 284 GLN I 319 ASN I 328 GLN I 342 ASN ** J 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 259 ASN ** J 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 345 GLN J 368 HIS K 284 GLN ** L 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 259 ASN ** L 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 345 GLN L 368 HIS ** M 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 259 ASN ** M 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 259 ASN ** N 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 259 ASN ** O 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 213 GLN ** P 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 259 ASN ** P 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 284 GLN Q 328 GLN ** R 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 259 ASN ** R 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 345 GLN R 368 HIS ** S 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 259 ASN ** S 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 345 GLN S 368 HIS T 68 ASN T 236 ASN T 284 GLN ** U 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 259 ASN ** U 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 345 GLN U 368 HIS V 284 GLN V 328 GLN W 68 ASN ** W 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 259 ASN ** W 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 259 ASN ** X 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 259 ASN ** Y 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 259 ASN ** Z 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 319 ASN ** 8 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 319 ASN ** 7 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 345 GLN 6 164 GLN ** 6 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 319 ASN 6 328 GLN ** 5 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 319 ASN ** 5 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 319 ASN 3 130 ASN 3 164 GLN ** 3 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 319 ASN ** 3 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 68 ASN a 284 GLN a 319 ASN a 328 GLN ** b 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 259 ASN ** b 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 213 GLN ** c 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 259 ASN ** c 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 68 ASN ** d 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 259 ASN ** d 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 259 ASN e 319 ASN ** f 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 259 ASN ** f 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 68 ASN g 284 GLN ** h 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 319 ASN ** h 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** i 259 ASN ** i 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 284 GLN j 328 GLN ** k 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 259 ASN ** k 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 345 GLN k 368 HIS ** l 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 345 GLN l 368 HIS m 236 ASN ** m 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 259 ASN m 328 GLN m 345 GLN m 368 HIS ** n 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 259 ASN ** n 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 68 ASN ** o 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 284 GLN o 328 GLN ** p 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 319 ASN ** p 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 259 ASN ** q 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 236 ASN r 284 GLN r 328 GLN ** s 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 259 ASN s 319 ASN ** t 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 345 GLN t 368 HIS ** u 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 259 ASN ** u 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 345 GLN u 368 HIS ** v 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 259 ASN ** v 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 345 GLN v 368 HIS w 164 GLN ** w 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 319 ASN ** w 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 345 GLN x 236 ASN x 284 GLN x 328 GLN ** y 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 259 ASN ** y 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 259 ASN ** z 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 319 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 213 GLN ** 1 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 259 ASN ** 1 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 319 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 68 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 165 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 259 ASN ** 2 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 119 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.2972 r_free = 0.2972 target = 0.101045 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 37)----------------| | r_work = 0.2729 r_free = 0.2729 target = 0.084851 restraints weight = 202813.491| |-----------------------------------------------------------------------------| r_work (start): 0.2737 rms_B_bonded: 1.60 r_work: 0.2644 rms_B_bonded: 1.87 restraints_weight: 0.5000 r_work: 0.2525 rms_B_bonded: 3.13 restraints_weight: 0.2500 r_work (final): 0.2525 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8636 moved from start: 0.3517 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.051 161760 Z= 0.315 Angle : 0.595 6.201 220140 Z= 0.321 Chirality : 0.050 0.176 24060 Planarity : 0.004 0.039 28500 Dihedral : 5.567 21.156 21660 Min Nonbonded Distance : 2.081 Molprobity Statistics. All-atom Clashscore : 15.46 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.93 % Favored : 94.07 % Rotamer: Outliers : 4.61 % Allowed : 18.00 % Favored : 77.40 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.26 (0.06), residues: 19920 helix: -2.75 (0.14), residues: 1200 sheet: -0.49 (0.07), residues: 5940 loop : -0.79 (0.05), residues: 12780 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.017 0.001 TRP R 211 HIS 0.007 0.001 HIS G 159 PHE 0.036 0.002 PHE V 366 TYR 0.012 0.002 TYR X 110 ARG 0.008 0.000 ARG Q 61 =============================================================================== Job complete usr+sys time: 104356.93 seconds wall clock time: 1786 minutes 25.25 seconds (107185.25 seconds total)