Starting phenix.real_space_refine (version: 1.21rc1) on Wed Apr 26 22:12:04 2023 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7bgl_12183/04_2023/7bgl_12183_trim_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7bgl_12183/04_2023/7bgl_12183.map Found restraint, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7bgl_12183/04_2023/7bgl_12183_trim_ligands.cif Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=2.2 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { restraint_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7bgl_12183/04_2023/7bgl_12183_trim_ligands.cif" default_restraint = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7bgl_12183/04_2023/7bgl_12183_trim_ligands.cif" real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7bgl_12183/04_2023/7bgl_12183.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7bgl_12183/04_2023/7bgl_12183.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7bgl_12183/04_2023/7bgl_12183_trim_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7bgl_12183/04_2023/7bgl_12183_trim_updated.pdb" } resolution = 2.2 write_initial_geo_file = False refinement { macro_cycles = 10 } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= 0.000 sd= 0.003 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 P 52 5.49 5 S 598 5.16 5 C 74932 2.51 5 N 20982 2.21 5 O 23920 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 67": "OE1" <-> "OE2" Residue "A ASP 99": "OD1" <-> "OD2" Residue "A ASP 123": "OD1" <-> "OD2" Residue "A GLU 125": "OE1" <-> "OE2" Residue "A ASP 153": "OD1" <-> "OD2" Residue "A PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a GLU 20": "OE1" <-> "OE2" Residue "a GLU 174": "OE1" <-> "OE2" Residue "a ASP 191": "OD1" <-> "OD2" Residue "a PHE 235": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b GLU 20": "OE1" <-> "OE2" Residue "b GLU 174": "OE1" <-> "OE2" Residue "b ASP 191": "OD1" <-> "OD2" Residue "b PHE 235": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c GLU 20": "OE1" <-> "OE2" Residue "c GLU 174": "OE1" <-> "OE2" Residue "c ASP 191": "OD1" <-> "OD2" Residue "c PHE 235": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d GLU 20": "OE1" <-> "OE2" Residue "d GLU 174": "OE1" <-> "OE2" Residue "d ASP 191": "OD1" <-> "OD2" Residue "d PHE 235": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e GLU 20": "OE1" <-> "OE2" Residue "e GLU 174": "OE1" <-> "OE2" Residue "e ASP 191": "OD1" <-> "OD2" Residue "e PHE 235": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f GLU 20": "OE1" <-> "OE2" Residue "f GLU 174": "OE1" <-> "OE2" Residue "f ASP 191": "OD1" <-> "OD2" Residue "f PHE 235": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g GLU 20": "OE1" <-> "OE2" Residue "g GLU 174": "OE1" <-> "OE2" Residue "g ASP 191": "OD1" <-> "OD2" Residue "g PHE 235": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h GLU 20": "OE1" <-> "OE2" Residue "h GLU 174": "OE1" <-> "OE2" Residue "h ASP 191": "OD1" <-> "OD2" Residue "h PHE 235": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i GLU 20": "OE1" <-> "OE2" Residue "i GLU 174": "OE1" <-> "OE2" Residue "i ASP 191": "OD1" <-> "OD2" Residue "i PHE 235": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j GLU 20": "OE1" <-> "OE2" Residue "j GLU 174": "OE1" <-> "OE2" Residue "j ASP 191": "OD1" <-> "OD2" Residue "j PHE 235": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k GLU 20": "OE1" <-> "OE2" Residue "k GLU 174": "OE1" <-> "OE2" Residue "k ASP 191": "OD1" <-> "OD2" Residue "k PHE 235": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l GLU 20": "OE1" <-> "OE2" Residue "l GLU 174": "OE1" <-> "OE2" Residue "l ASP 191": "OD1" <-> "OD2" Residue "l PHE 235": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m GLU 20": "OE1" <-> "OE2" Residue "m GLU 174": "OE1" <-> "OE2" Residue "m ASP 191": "OD1" <-> "OD2" Residue "m PHE 235": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n GLU 20": "OE1" <-> "OE2" Residue "n GLU 174": "OE1" <-> "OE2" Residue "n ASP 191": "OD1" <-> "OD2" Residue "n PHE 235": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o GLU 20": "OE1" <-> "OE2" Residue "o GLU 174": "OE1" <-> "OE2" Residue "o ASP 191": "OD1" <-> "OD2" Residue "o PHE 235": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p GLU 20": "OE1" <-> "OE2" Residue "p GLU 174": "OE1" <-> "OE2" Residue "p ASP 191": "OD1" <-> "OD2" Residue "p PHE 235": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q GLU 20": "OE1" <-> "OE2" Residue "q GLU 174": "OE1" <-> "OE2" Residue "q ASP 191": "OD1" <-> "OD2" Residue "q PHE 235": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r GLU 20": "OE1" <-> "OE2" Residue "r GLU 174": "OE1" <-> "OE2" Residue "r ASP 191": "OD1" <-> "OD2" Residue "r PHE 235": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s GLU 20": "OE1" <-> "OE2" Residue "s GLU 174": "OE1" <-> "OE2" Residue "s ASP 191": "OD1" <-> "OD2" Residue "s PHE 235": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t GLU 20": "OE1" <-> "OE2" Residue "t GLU 174": "OE1" <-> "OE2" Residue "t ASP 191": "OD1" <-> "OD2" Residue "t PHE 235": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u GLU 20": "OE1" <-> "OE2" Residue "u GLU 174": "OE1" <-> "OE2" Residue "u ASP 191": "OD1" <-> "OD2" Residue "u PHE 235": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v GLU 20": "OE1" <-> "OE2" Residue "v GLU 174": "OE1" <-> "OE2" Residue "v ASP 191": "OD1" <-> "OD2" Residue "v PHE 235": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w GLU 20": "OE1" <-> "OE2" Residue "w GLU 174": "OE1" <-> "OE2" Residue "w ASP 191": "OD1" <-> "OD2" Residue "w PHE 235": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x GLU 20": "OE1" <-> "OE2" Residue "x GLU 174": "OE1" <-> "OE2" Residue "x ASP 191": "OD1" <-> "OD2" Residue "x PHE 235": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y GLU 20": "OE1" <-> "OE2" Residue "y GLU 174": "OE1" <-> "OE2" Residue "y ASP 191": "OD1" <-> "OD2" Residue "y PHE 235": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z GLU 20": "OE1" <-> "OE2" Residue "z GLU 174": "OE1" <-> "OE2" Residue "z ASP 191": "OD1" <-> "OD2" Residue "z PHE 235": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 67": "OE1" <-> "OE2" Residue "B ASP 99": "OD1" <-> "OD2" Residue "B ASP 123": "OD1" <-> "OD2" Residue "B GLU 125": "OE1" <-> "OE2" Residue "B ASP 153": "OD1" <-> "OD2" Residue "B PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 67": "OE1" <-> "OE2" Residue "C ASP 99": "OD1" <-> "OD2" Residue "C ASP 123": "OD1" <-> "OD2" Residue "C GLU 125": "OE1" <-> "OE2" Residue "C ASP 153": "OD1" <-> "OD2" Residue "C PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 67": "OE1" <-> "OE2" Residue "D ASP 99": "OD1" <-> "OD2" Residue "D ASP 123": "OD1" <-> "OD2" Residue "D GLU 125": "OE1" <-> "OE2" Residue "D ASP 153": "OD1" <-> "OD2" Residue "D PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 67": "OE1" <-> "OE2" Residue "E ASP 99": "OD1" <-> "OD2" Residue "E ASP 123": "OD1" <-> "OD2" Residue "E GLU 125": "OE1" <-> "OE2" Residue "E ASP 153": "OD1" <-> "OD2" Residue "E PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F GLU 67": "OE1" <-> "OE2" Residue "F ASP 99": "OD1" <-> "OD2" Residue "F ASP 123": "OD1" <-> "OD2" Residue "F GLU 125": "OE1" <-> "OE2" Residue "F ASP 153": "OD1" <-> "OD2" Residue "F PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 67": "OE1" <-> "OE2" Residue "G ASP 99": "OD1" <-> "OD2" Residue "G ASP 123": "OD1" <-> "OD2" Residue "G GLU 125": "OE1" <-> "OE2" Residue "G ASP 153": "OD1" <-> "OD2" Residue "G PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H GLU 67": "OE1" <-> "OE2" Residue "H ASP 99": "OD1" <-> "OD2" Residue "H ASP 123": "OD1" <-> "OD2" Residue "H GLU 125": "OE1" <-> "OE2" Residue "H ASP 153": "OD1" <-> "OD2" Residue "H PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I GLU 67": "OE1" <-> "OE2" Residue "I ASP 99": "OD1" <-> "OD2" Residue "I ASP 123": "OD1" <-> "OD2" Residue "I GLU 125": "OE1" <-> "OE2" Residue "I ASP 153": "OD1" <-> "OD2" Residue "I PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J GLU 67": "OE1" <-> "OE2" Residue "J ASP 99": "OD1" <-> "OD2" Residue "J ASP 123": "OD1" <-> "OD2" Residue "J GLU 125": "OE1" <-> "OE2" Residue "J ASP 153": "OD1" <-> "OD2" Residue "J PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K GLU 67": "OE1" <-> "OE2" Residue "K ASP 99": "OD1" <-> "OD2" Residue "K ASP 123": "OD1" <-> "OD2" Residue "K GLU 125": "OE1" <-> "OE2" Residue "K ASP 153": "OD1" <-> "OD2" Residue "K PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L GLU 67": "OE1" <-> "OE2" Residue "L ASP 99": "OD1" <-> "OD2" Residue "L ASP 123": "OD1" <-> "OD2" Residue "L GLU 125": "OE1" <-> "OE2" Residue "L ASP 153": "OD1" <-> "OD2" Residue "L PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M GLU 67": "OE1" <-> "OE2" Residue "M ASP 99": "OD1" <-> "OD2" Residue "M ASP 123": "OD1" <-> "OD2" Residue "M GLU 125": "OE1" <-> "OE2" Residue "M ASP 153": "OD1" <-> "OD2" Residue "M PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N GLU 67": "OE1" <-> "OE2" Residue "N ASP 99": "OD1" <-> "OD2" Residue "N ASP 123": "OD1" <-> "OD2" Residue "N GLU 125": "OE1" <-> "OE2" Residue "N ASP 153": "OD1" <-> "OD2" Residue "N PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O GLU 67": "OE1" <-> "OE2" Residue "O ASP 99": "OD1" <-> "OD2" Residue "O ASP 123": "OD1" <-> "OD2" Residue "O GLU 125": "OE1" <-> "OE2" Residue "O ASP 153": "OD1" <-> "OD2" Residue "O PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P GLU 67": "OE1" <-> "OE2" Residue "P ASP 99": "OD1" <-> "OD2" Residue "P ASP 123": "OD1" <-> "OD2" Residue "P GLU 125": "OE1" <-> "OE2" Residue "P ASP 153": "OD1" <-> "OD2" Residue "P PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q GLU 67": "OE1" <-> "OE2" Residue "Q ASP 99": "OD1" <-> "OD2" Residue "Q ASP 123": "OD1" <-> "OD2" Residue "Q GLU 125": "OE1" <-> "OE2" Residue "Q ASP 153": "OD1" <-> "OD2" Residue "Q PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R GLU 67": "OE1" <-> "OE2" Residue "R ASP 99": "OD1" <-> "OD2" Residue "R ASP 123": "OD1" <-> "OD2" Residue "R GLU 125": "OE1" <-> "OE2" Residue "R ASP 153": "OD1" <-> "OD2" Residue "R PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S GLU 67": "OE1" <-> "OE2" Residue "S ASP 99": "OD1" <-> "OD2" Residue "S ASP 123": "OD1" <-> "OD2" Residue "S GLU 125": "OE1" <-> "OE2" Residue "S ASP 153": "OD1" <-> "OD2" Residue "S PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T GLU 67": "OE1" <-> "OE2" Residue "T ASP 99": "OD1" <-> "OD2" Residue "T ASP 123": "OD1" <-> "OD2" Residue "T GLU 125": "OE1" <-> "OE2" Residue "T ASP 153": "OD1" <-> "OD2" Residue "T PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U GLU 67": "OE1" <-> "OE2" Residue "U ASP 99": "OD1" <-> "OD2" Residue "U ASP 123": "OD1" <-> "OD2" Residue "U GLU 125": "OE1" <-> "OE2" Residue "U ASP 153": "OD1" <-> "OD2" Residue "U PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V GLU 67": "OE1" <-> "OE2" Residue "V ASP 99": "OD1" <-> "OD2" Residue "V ASP 123": "OD1" <-> "OD2" Residue "V GLU 125": "OE1" <-> "OE2" Residue "V ASP 153": "OD1" <-> "OD2" Residue "V PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W GLU 67": "OE1" <-> "OE2" Residue "W ASP 99": "OD1" <-> "OD2" Residue "W ASP 123": "OD1" <-> "OD2" Residue "W GLU 125": "OE1" <-> "OE2" Residue "W ASP 153": "OD1" <-> "OD2" Residue "W PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X GLU 67": "OE1" <-> "OE2" Residue "X ASP 99": "OD1" <-> "OD2" Residue "X ASP 123": "OD1" <-> "OD2" Residue "X GLU 125": "OE1" <-> "OE2" Residue "X ASP 153": "OD1" <-> "OD2" Residue "X PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y GLU 67": "OE1" <-> "OE2" Residue "Y ASP 99": "OD1" <-> "OD2" Residue "Y ASP 123": "OD1" <-> "OD2" Residue "Y GLU 125": "OE1" <-> "OE2" Residue "Y ASP 153": "OD1" <-> "OD2" Residue "Y PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z GLU 67": "OE1" <-> "OE2" Residue "Z ASP 99": "OD1" <-> "OD2" Residue "Z ASP 123": "OD1" <-> "OD2" Residue "Z GLU 125": "OE1" <-> "OE2" Residue "Z ASP 153": "OD1" <-> "OD2" Residue "Z PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Time to flip residues: 0.24s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-4938/modules/chem_data/mon_lib" Total number of atoms: 120484 Number of models: 1 Model: "" Number of chains: 104 Chain: "A" Number of atoms: 1581 Number of conformers: 1 Conformer: "" Number of residues, atoms: 211, 1581 Classifications: {'peptide': 211} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 13, 'TRANS': 197} Chain: "a" Number of atoms: 2251 Number of conformers: 1 Conformer: "" Number of residues, atoms: 306, 2251 Classifications: {'peptide': 306} Modifications used: {'COO': 1} Incomplete info: {'backbone_only': 1} Link IDs: {'PTRANS': 9, 'TRANS': 296} Chain breaks: 2 Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen chiralities: 1 Chain: "1" Number of atoms: 647 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 647 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 3, 'TRANS': 80} Chain: "b" Number of atoms: 2251 Number of conformers: 1 Conformer: "" Number of residues, atoms: 306, 2251 Classifications: {'peptide': 306} Modifications used: {'COO': 1} Incomplete info: {'backbone_only': 1} Link IDs: {'PTRANS': 9, 'TRANS': 296} Chain breaks: 2 Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen chiralities: 1 Chain: "c" Number of atoms: 2251 Number of conformers: 1 Conformer: "" Number of residues, atoms: 306, 2251 Classifications: {'peptide': 306} Modifications used: {'COO': 1} Incomplete info: {'backbone_only': 1} Link IDs: {'PTRANS': 9, 'TRANS': 296} Chain breaks: 2 Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen chiralities: 1 Chain: "d" Number of atoms: 2251 Number of conformers: 1 Conformer: "" Number of residues, atoms: 306, 2251 Classifications: {'peptide': 306} Modifications used: {'COO': 1} Incomplete info: {'backbone_only': 1} Link IDs: {'PTRANS': 9, 'TRANS': 296} Chain breaks: 2 Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen chiralities: 1 Chain: "e" Number of atoms: 2251 Number of conformers: 1 Conformer: "" Number of residues, atoms: 306, 2251 Classifications: {'peptide': 306} Modifications used: {'COO': 1} Incomplete info: {'backbone_only': 1} Link IDs: {'PTRANS': 9, 'TRANS': 296} Chain breaks: 2 Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen chiralities: 1 Chain: "f" Number of atoms: 2251 Number of conformers: 1 Conformer: "" Number of residues, atoms: 306, 2251 Classifications: {'peptide': 306} Modifications used: {'COO': 1} Incomplete info: {'backbone_only': 1} Link IDs: {'PTRANS': 9, 'TRANS': 296} Chain breaks: 2 Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen chiralities: 1 Chain: "g" Number of atoms: 2251 Number of conformers: 1 Conformer: "" Number of residues, atoms: 306, 2251 Classifications: {'peptide': 306} Modifications used: {'COO': 1} Incomplete info: {'backbone_only': 1} Link IDs: {'PTRANS': 9, 'TRANS': 296} Chain breaks: 2 Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen chiralities: 1 Chain: "h" Number of atoms: 2251 Number of conformers: 1 Conformer: "" Number of residues, atoms: 306, 2251 Classifications: {'peptide': 306} Modifications used: {'COO': 1} Incomplete info: {'backbone_only': 1} Link IDs: {'PTRANS': 9, 'TRANS': 296} Chain breaks: 2 Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen chiralities: 1 Chain: "i" Number of atoms: 2251 Number of conformers: 1 Conformer: "" Number of residues, atoms: 306, 2251 Classifications: {'peptide': 306} Modifications used: {'COO': 1} Incomplete info: {'backbone_only': 1} Link IDs: {'PTRANS': 9, 'TRANS': 296} Chain breaks: 2 Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen chiralities: 1 Chain: "j" Number of atoms: 2251 Number of conformers: 1 Conformer: "" Number of residues, atoms: 306, 2251 Classifications: {'peptide': 306} Modifications used: {'COO': 1} Incomplete info: {'backbone_only': 1} Link IDs: {'PTRANS': 9, 'TRANS': 296} Chain breaks: 2 Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen chiralities: 1 Chain: "k" Number of atoms: 2251 Number of conformers: 1 Conformer: "" Number of residues, atoms: 306, 2251 Classifications: {'peptide': 306} Modifications used: {'COO': 1} Incomplete info: {'backbone_only': 1} Link IDs: {'PTRANS': 9, 'TRANS': 296} Chain breaks: 2 Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen chiralities: 1 Chain: "l" Number of atoms: 2251 Number of conformers: 1 Conformer: "" Number of residues, atoms: 306, 2251 Classifications: {'peptide': 306} Modifications used: {'COO': 1} Incomplete info: {'backbone_only': 1} Link IDs: {'PTRANS': 9, 'TRANS': 296} Chain breaks: 2 Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen chiralities: 1 Chain: "m" Number of atoms: 2251 Number of conformers: 1 Conformer: "" Number of residues, atoms: 306, 2251 Classifications: {'peptide': 306} Modifications used: {'COO': 1} Incomplete info: {'backbone_only': 1} Link IDs: {'PTRANS': 9, 'TRANS': 296} Chain breaks: 2 Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen chiralities: 1 Chain: "n" Number of atoms: 2251 Number of conformers: 1 Conformer: "" Number of residues, atoms: 306, 2251 Classifications: {'peptide': 306} Modifications used: {'COO': 1} Incomplete info: {'backbone_only': 1} Link IDs: {'PTRANS': 9, 'TRANS': 296} Chain breaks: 2 Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen chiralities: 1 Chain: "o" Number of atoms: 2251 Number of conformers: 1 Conformer: "" Number of residues, atoms: 306, 2251 Classifications: {'peptide': 306} Modifications used: {'COO': 1} Incomplete info: {'backbone_only': 1} Link IDs: {'PTRANS': 9, 'TRANS': 296} Chain breaks: 2 Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen chiralities: 1 Chain: "p" Number of atoms: 2251 Number of conformers: 1 Conformer: "" Number of residues, atoms: 306, 2251 Classifications: {'peptide': 306} Modifications used: {'COO': 1} Incomplete info: {'backbone_only': 1} Link IDs: {'PTRANS': 9, 'TRANS': 296} Chain breaks: 2 Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen chiralities: 1 Chain: "q" Number of atoms: 2251 Number of conformers: 1 Conformer: "" Number of residues, atoms: 306, 2251 Classifications: {'peptide': 306} Modifications used: {'COO': 1} Incomplete info: {'backbone_only': 1} Link IDs: {'PTRANS': 9, 'TRANS': 296} Chain breaks: 2 Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen chiralities: 1 Chain: "r" Number of atoms: 2251 Number of conformers: 1 Conformer: "" Number of residues, atoms: 306, 2251 Classifications: {'peptide': 306} Modifications used: {'COO': 1} Incomplete info: {'backbone_only': 1} Link IDs: {'PTRANS': 9, 'TRANS': 296} Chain breaks: 2 Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen chiralities: 1 Chain: "s" Number of atoms: 2251 Number of conformers: 1 Conformer: "" Number of residues, atoms: 306, 2251 Classifications: {'peptide': 306} Modifications used: {'COO': 1} Incomplete info: {'backbone_only': 1} Link IDs: {'PTRANS': 9, 'TRANS': 296} Chain breaks: 2 Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen chiralities: 1 Chain: "t" Number of atoms: 2251 Number of conformers: 1 Conformer: "" Number of residues, atoms: 306, 2251 Classifications: {'peptide': 306} Modifications used: {'COO': 1} Incomplete info: {'backbone_only': 1} Link IDs: {'PTRANS': 9, 'TRANS': 296} Chain breaks: 2 Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen chiralities: 1 Chain: "u" Number of atoms: 2251 Number of conformers: 1 Conformer: "" Number of residues, atoms: 306, 2251 Classifications: {'peptide': 306} Modifications used: {'COO': 1} Incomplete info: {'backbone_only': 1} Link IDs: {'PTRANS': 9, 'TRANS': 296} Chain breaks: 2 Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen chiralities: 1 Chain: "v" Number of atoms: 2251 Number of conformers: 1 Conformer: "" Number of residues, atoms: 306, 2251 Classifications: {'peptide': 306} Modifications used: {'COO': 1} Incomplete info: {'backbone_only': 1} Link IDs: {'PTRANS': 9, 'TRANS': 296} Chain breaks: 2 Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen chiralities: 1 Chain: "w" Number of atoms: 2251 Number of conformers: 1 Conformer: "" Number of residues, atoms: 306, 2251 Classifications: {'peptide': 306} Modifications used: {'COO': 1} Incomplete info: {'backbone_only': 1} Link IDs: {'PTRANS': 9, 'TRANS': 296} Chain breaks: 2 Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen chiralities: 1 Chain: "x" Number of atoms: 2251 Number of conformers: 1 Conformer: "" Number of residues, atoms: 306, 2251 Classifications: {'peptide': 306} Modifications used: {'COO': 1} Incomplete info: {'backbone_only': 1} Link IDs: {'PTRANS': 9, 'TRANS': 296} Chain breaks: 2 Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen chiralities: 1 Chain: "y" Number of atoms: 2251 Number of conformers: 1 Conformer: "" Number of residues, atoms: 306, 2251 Classifications: {'peptide': 306} Modifications used: {'COO': 1} Incomplete info: {'backbone_only': 1} Link IDs: {'PTRANS': 9, 'TRANS': 296} Chain breaks: 2 Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen chiralities: 1 Chain: "z" Number of atoms: 2251 Number of conformers: 1 Conformer: "" Number of residues, atoms: 306, 2251 Classifications: {'peptide': 306} Modifications used: {'COO': 1} Incomplete info: {'backbone_only': 1} Link IDs: {'PTRANS': 9, 'TRANS': 296} Chain breaks: 2 Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen chiralities: 1 Chain: "2" Number of atoms: 647 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 647 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 3, 'TRANS': 80} Chain: "3" Number of atoms: 647 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 647 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 3, 'TRANS': 80} Chain: "4" Number of atoms: 647 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 647 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 3, 'TRANS': 80} Chain: "5" Number of atoms: 647 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 647 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 3, 'TRANS': 80} Chain: "6" Number of atoms: 647 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 647 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 3, 'TRANS': 80} Chain: "7" Number of atoms: 647 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 647 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 3, 'TRANS': 80} Chain: "8" Number of atoms: 647 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 647 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 3, 'TRANS': 80} Chain: "9" Number of atoms: 647 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 647 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 3, 'TRANS': 80} Chain: "10" Number of atoms: 647 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 647 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 3, 'TRANS': 80} Chain: "11" Number of atoms: 647 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 647 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 3, 'TRANS': 80} Chain: "12" Number of atoms: 647 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 647 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 3, 'TRANS': 80} Chain: "13" Number of atoms: 647 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 647 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 3, 'TRANS': 80} Chain: "14" Number of atoms: 647 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 647 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 3, 'TRANS': 80} Chain: "15" Number of atoms: 647 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 647 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 3, 'TRANS': 80} Chain: "16" Number of atoms: 647 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 647 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 3, 'TRANS': 80} Chain: "17" Number of atoms: 647 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 647 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 3, 'TRANS': 80} Chain: "18" Number of atoms: 647 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 647 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 3, 'TRANS': 80} Chain: "19" Number of atoms: 647 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 647 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 3, 'TRANS': 80} Chain: "20" Number of atoms: 647 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 647 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 3, 'TRANS': 80} Chain: "21" Number of atoms: 647 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 647 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 3, 'TRANS': 80} Chain: "22" Number of atoms: 647 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 647 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 3, 'TRANS': 80} Chain: "23" Number of atoms: 647 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 647 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 3, 'TRANS': 80} Chain: "24" Number of atoms: 647 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 647 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 3, 'TRANS': 80} Chain: "25" Number of atoms: 647 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 647 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 3, 'TRANS': 80} Chain: "26" Number of atoms: 647 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 647 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 3, 'TRANS': 80} Chain: "B" Number of atoms: 1581 Number of conformers: 1 Conformer: "" Number of residues, atoms: 211, 1581 Classifications: {'peptide': 211} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 13, 'TRANS': 197} Chain: "C" Number of atoms: 1581 Number of conformers: 1 Conformer: "" Number of residues, atoms: 211, 1581 Classifications: {'peptide': 211} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 13, 'TRANS': 197} Chain: "D" Number of atoms: 1581 Number of conformers: 1 Conformer: "" Number of residues, atoms: 211, 1581 Classifications: {'peptide': 211} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 13, 'TRANS': 197} Chain: "E" Number of atoms: 1581 Number of conformers: 1 Conformer: "" Number of residues, atoms: 211, 1581 Classifications: {'peptide': 211} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 13, 'TRANS': 197} Chain: "F" Number of atoms: 1581 Number of conformers: 1 Conformer: "" Number of residues, atoms: 211, 1581 Classifications: {'peptide': 211} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 13, 'TRANS': 197} Chain: "G" Number of atoms: 1581 Number of conformers: 1 Conformer: "" Number of residues, atoms: 211, 1581 Classifications: {'peptide': 211} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 13, 'TRANS': 197} Chain: "H" Number of atoms: 1581 Number of conformers: 1 Conformer: "" Number of residues, atoms: 211, 1581 Classifications: {'peptide': 211} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 13, 'TRANS': 197} Chain: "I" Number of atoms: 1581 Number of conformers: 1 Conformer: "" Number of residues, atoms: 211, 1581 Classifications: {'peptide': 211} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 13, 'TRANS': 197} Chain: "J" Number of atoms: 1581 Number of conformers: 1 Conformer: "" Number of residues, atoms: 211, 1581 Classifications: {'peptide': 211} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 13, 'TRANS': 197} Chain: "K" Number of atoms: 1581 Number of conformers: 1 Conformer: "" Number of residues, atoms: 211, 1581 Classifications: {'peptide': 211} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 13, 'TRANS': 197} Chain: "L" Number of atoms: 1581 Number of conformers: 1 Conformer: "" Number of residues, atoms: 211, 1581 Classifications: {'peptide': 211} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 13, 'TRANS': 197} Chain: "M" Number of atoms: 1581 Number of conformers: 1 Conformer: "" Number of residues, atoms: 211, 1581 Classifications: {'peptide': 211} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 13, 'TRANS': 197} Chain: "N" Number of atoms: 1581 Number of conformers: 1 Conformer: "" Number of residues, atoms: 211, 1581 Classifications: {'peptide': 211} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 13, 'TRANS': 197} Chain: "O" Number of atoms: 1581 Number of conformers: 1 Conformer: "" Number of residues, atoms: 211, 1581 Classifications: {'peptide': 211} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 13, 'TRANS': 197} Chain: "P" Number of atoms: 1581 Number of conformers: 1 Conformer: "" Number of residues, atoms: 211, 1581 Classifications: {'peptide': 211} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 13, 'TRANS': 197} Chain: "Q" Number of atoms: 1581 Number of conformers: 1 Conformer: "" Number of residues, atoms: 211, 1581 Classifications: {'peptide': 211} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 13, 'TRANS': 197} Chain: "R" Number of atoms: 1581 Number of conformers: 1 Conformer: "" Number of residues, atoms: 211, 1581 Classifications: {'peptide': 211} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 13, 'TRANS': 197} Chain: "S" Number of atoms: 1581 Number of conformers: 1 Conformer: "" Number of residues, atoms: 211, 1581 Classifications: {'peptide': 211} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 13, 'TRANS': 197} Chain: "T" Number of atoms: 1581 Number of conformers: 1 Conformer: "" Number of residues, atoms: 211, 1581 Classifications: {'peptide': 211} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 13, 'TRANS': 197} Chain: "U" Number of atoms: 1581 Number of conformers: 1 Conformer: "" Number of residues, atoms: 211, 1581 Classifications: {'peptide': 211} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 13, 'TRANS': 197} Chain: "V" Number of atoms: 1581 Number of conformers: 1 Conformer: "" Number of residues, atoms: 211, 1581 Classifications: {'peptide': 211} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 13, 'TRANS': 197} Chain: "W" Number of atoms: 1581 Number of conformers: 1 Conformer: "" Number of residues, atoms: 211, 1581 Classifications: {'peptide': 211} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 13, 'TRANS': 197} Chain: "X" Number of atoms: 1581 Number of conformers: 1 Conformer: "" Number of residues, atoms: 211, 1581 Classifications: {'peptide': 211} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 13, 'TRANS': 197} Chain: "Y" Number of atoms: 1581 Number of conformers: 1 Conformer: "" Number of residues, atoms: 211, 1581 Classifications: {'peptide': 211} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 13, 'TRANS': 197} Chain: "Z" Number of atoms: 1581 Number of conformers: 1 Conformer: "" Number of residues, atoms: 211, 1581 Classifications: {'peptide': 211} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 13, 'TRANS': 197} Chain: "A" Number of atoms: 170 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 170 Unusual residues: {'TLW': 2, 'TQN': 1} Classifications: {'undetermined': 3} Link IDs: {None: 2} Chain: "B" Number of atoms: 155 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 155 Unusual residues: {'TLW': 1, 'TQN': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "C" Number of atoms: 155 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 155 Unusual residues: {'TLW': 1, 'TQN': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "D" Number of atoms: 155 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 155 Unusual residues: {'TLW': 1, 'TQN': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "E" Number of atoms: 155 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 155 Unusual residues: {'TLW': 1, 'TQN': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "F" Number of atoms: 155 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 155 Unusual residues: {'TLW': 1, 'TQN': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "G" Number of atoms: 155 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 155 Unusual residues: {'TLW': 1, 'TQN': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "H" Number of atoms: 155 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 155 Unusual residues: {'TLW': 1, 'TQN': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "I" Number of atoms: 155 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 155 Unusual residues: {'TLW': 1, 'TQN': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "J" Number of atoms: 155 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 155 Unusual residues: {'TLW': 1, 'TQN': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "K" Number of atoms: 155 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 155 Unusual residues: {'TLW': 1, 'TQN': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "L" Number of atoms: 155 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 155 Unusual residues: {'TLW': 1, 'TQN': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "M" Number of atoms: 155 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 155 Unusual residues: {'TLW': 1, 'TQN': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "N" Number of atoms: 155 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 155 Unusual residues: {'TLW': 1, 'TQN': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "O" Number of atoms: 155 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 155 Unusual residues: {'TLW': 1, 'TQN': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "P" Number of atoms: 155 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 155 Unusual residues: {'TLW': 1, 'TQN': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "Q" Number of atoms: 155 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 155 Unusual residues: {'TLW': 1, 'TQN': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "R" Number of atoms: 155 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 155 Unusual residues: {'TLW': 1, 'TQN': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "S" Number of atoms: 155 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 155 Unusual residues: {'TLW': 1, 'TQN': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "T" Number of atoms: 155 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 155 Unusual residues: {'TLW': 1, 'TQN': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "U" Number of atoms: 155 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 155 Unusual residues: {'TLW': 1, 'TQN': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "V" Number of atoms: 155 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 155 Unusual residues: {'TLW': 1, 'TQN': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "W" Number of atoms: 155 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 155 Unusual residues: {'TLW': 1, 'TQN': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "X" Number of atoms: 155 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 155 Unusual residues: {'TLW': 1, 'TQN': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "Y" Number of atoms: 155 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 155 Unusual residues: {'TLW': 1, 'TQN': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "Z" Number of atoms: 140 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 140 Unusual residues: {'TQN': 1} Classifications: {'undetermined': 1} Time building chain proxies: 43.56, per 1000 atoms: 0.36 Number of scatterers: 120484 At special positions: 0 Unit cell: (263.744, 263.744, 153.92, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 5 Type Number sf(0) S 598 16.00 P 52 15.00 O 23920 8.00 N 20982 7.00 C 74932 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=52, symmetry=0 Simple disulfide: pdb=" SG CYS 1 59 " - pdb=" SG CYS 1 96 " distance=2.03 Simple disulfide: pdb=" SG CYS 1 77 " - pdb=" SG CYS 1 85 " distance=2.03 Simple disulfide: pdb=" SG CYS 2 59 " - pdb=" SG CYS 2 96 " distance=2.03 Simple disulfide: pdb=" SG CYS 2 77 " - pdb=" SG CYS 2 85 " distance=2.03 Simple disulfide: pdb=" SG CYS 3 59 " - pdb=" SG CYS 3 96 " distance=2.03 Simple disulfide: pdb=" SG CYS 3 77 " - pdb=" SG CYS 3 85 " distance=2.03 Simple disulfide: pdb=" SG CYS 4 59 " - pdb=" SG CYS 4 96 " distance=2.03 Simple disulfide: pdb=" SG CYS 4 77 " - pdb=" SG CYS 4 85 " distance=2.03 Simple disulfide: pdb=" SG CYS 5 59 " - pdb=" SG CYS 5 96 " distance=2.03 Simple disulfide: pdb=" SG CYS 5 77 " - pdb=" SG CYS 5 85 " distance=2.03 Simple disulfide: pdb=" SG CYS 6 59 " - pdb=" SG CYS 6 96 " distance=2.03 Simple disulfide: pdb=" SG CYS 6 77 " - pdb=" SG CYS 6 85 " distance=2.03 Simple disulfide: pdb=" SG CYS 7 59 " - pdb=" SG CYS 7 96 " distance=2.03 Simple disulfide: pdb=" SG CYS 7 77 " - pdb=" SG CYS 7 85 " distance=2.03 Simple disulfide: pdb=" SG CYS 8 59 " - pdb=" SG CYS 8 96 " distance=2.03 Simple disulfide: pdb=" SG CYS 8 77 " - pdb=" SG CYS 8 85 " distance=2.03 Simple disulfide: pdb=" SG CYS 9 59 " - pdb=" SG CYS 9 96 " distance=2.03 Simple disulfide: pdb=" SG CYS 9 77 " - pdb=" SG CYS 9 85 " distance=2.03 Simple disulfide: pdb=" SG CYS10 59 " - pdb=" SG CYS10 96 " distance=2.03 Simple disulfide: pdb=" SG CYS10 77 " - pdb=" SG CYS10 85 " distance=2.03 Simple disulfide: pdb=" SG CYS11 59 " - pdb=" SG CYS11 96 " distance=2.03 Simple disulfide: pdb=" SG CYS11 77 " - pdb=" SG CYS11 85 " distance=2.03 Simple disulfide: pdb=" SG CYS12 59 " - pdb=" SG CYS12 96 " distance=2.03 Simple disulfide: pdb=" SG CYS12 77 " - pdb=" SG CYS12 85 " distance=2.03 Simple disulfide: pdb=" SG CYS13 59 " - pdb=" SG CYS13 96 " distance=2.03 Simple disulfide: pdb=" SG CYS13 77 " - pdb=" SG CYS13 85 " distance=2.03 Simple disulfide: pdb=" SG CYS14 59 " - pdb=" SG CYS14 96 " distance=2.03 Simple disulfide: pdb=" SG CYS14 77 " - pdb=" SG CYS14 85 " distance=2.03 Simple disulfide: pdb=" SG CYS15 59 " - pdb=" SG CYS15 96 " distance=2.03 Simple disulfide: pdb=" SG CYS15 77 " - pdb=" SG CYS15 85 " distance=2.03 Simple disulfide: pdb=" SG CYS16 59 " - pdb=" SG CYS16 96 " distance=2.03 Simple disulfide: pdb=" SG CYS16 77 " - pdb=" SG CYS16 85 " distance=2.03 Simple disulfide: pdb=" SG CYS17 59 " - pdb=" SG CYS17 96 " distance=2.03 Simple disulfide: pdb=" SG CYS17 77 " - pdb=" SG CYS17 85 " distance=2.03 Simple disulfide: pdb=" SG CYS18 59 " - pdb=" SG CYS18 96 " distance=2.03 Simple disulfide: pdb=" SG CYS18 77 " - pdb=" SG CYS18 85 " distance=2.03 Simple disulfide: pdb=" SG CYS19 59 " - pdb=" SG CYS19 96 " distance=2.03 Simple disulfide: pdb=" SG CYS19 77 " - pdb=" SG CYS19 85 " distance=2.03 Simple disulfide: pdb=" SG CYS20 59 " - pdb=" SG CYS20 96 " distance=2.03 Simple disulfide: pdb=" SG CYS20 77 " - pdb=" SG CYS20 85 " distance=2.03 Simple disulfide: pdb=" SG CYS21 59 " - pdb=" SG CYS21 96 " distance=2.03 Simple disulfide: pdb=" SG CYS21 77 " - pdb=" SG CYS21 85 " distance=2.03 Simple disulfide: pdb=" SG CYS22 59 " - pdb=" SG CYS22 96 " distance=2.03 Simple disulfide: pdb=" SG CYS22 77 " - pdb=" SG CYS22 85 " distance=2.03 Simple disulfide: pdb=" SG CYS23 59 " - pdb=" SG CYS23 96 " distance=2.03 Simple disulfide: pdb=" SG CYS23 77 " - pdb=" SG CYS23 85 " distance=2.03 Simple disulfide: pdb=" SG CYS24 59 " - pdb=" SG CYS24 96 " distance=2.03 Simple disulfide: pdb=" SG CYS24 77 " - pdb=" SG CYS24 85 " distance=2.03 Simple disulfide: pdb=" SG CYS25 59 " - pdb=" SG CYS25 96 " distance=2.03 Simple disulfide: pdb=" SG CYS25 77 " - pdb=" SG CYS25 85 " distance=2.03 Simple disulfide: pdb=" SG CYS26 59 " - pdb=" SG CYS26 96 " distance=2.03 Simple disulfide: pdb=" SG CYS26 77 " - pdb=" SG CYS26 85 " distance=2.03 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: 36.53 Conformation dependent library (CDL) restraints added in 12.7 seconds 30732 Ramachandran restraints generated. 15366 Oldfield, 0 Emsley, 15366 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 28132 Finding SS restraints... Warning!!! ksdssp method is not applicable forstructures with more than 99999 atoms! Switching to from_ca. running find_ss_from_ca liberal... Secondary structure from input PDB file: 312 helices and 286 sheets defined 22.3% alpha, 33.8% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 10.20 Creating SS restraints... Processing helix chain 'A' and resid 110 through 115 removed outlier: 4.954A pdb=" N GLY A 115 " --> pdb=" O ARG A 111 " (cutoff:3.500A) Processing helix chain 'A' and resid 196 through 201 removed outlier: 3.885A pdb=" N VAL A 200 " --> pdb=" O PRO A 196 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N ALA A 201 " --> pdb=" O SER A 197 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 196 through 201' Processing helix chain 'A' and resid 211 through 219 removed outlier: 3.875A pdb=" N GLN A 217 " --> pdb=" O ILE A 213 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ASN A 218 " --> pdb=" O ASN A 214 " (cutoff:3.500A) removed outlier: 5.720A pdb=" N MET A 219 " --> pdb=" O GLU A 215 " (cutoff:3.500A) Processing helix chain 'A' and resid 220 through 229 Processing helix chain 'B' and resid 110 through 115 removed outlier: 4.953A pdb=" N GLY B 115 " --> pdb=" O ARG B 111 " (cutoff:3.500A) Processing helix chain 'B' and resid 196 through 201 removed outlier: 3.885A pdb=" N VAL B 200 " --> pdb=" O PRO B 196 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N ALA B 201 " --> pdb=" O SER B 197 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 196 through 201' Processing helix chain 'B' and resid 211 through 219 removed outlier: 3.876A pdb=" N GLN B 217 " --> pdb=" O ILE B 213 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ASN B 218 " --> pdb=" O ASN B 214 " (cutoff:3.500A) removed outlier: 5.720A pdb=" N MET B 219 " --> pdb=" O GLU B 215 " (cutoff:3.500A) Processing helix chain 'B' and resid 220 through 229 Processing helix chain 'C' and resid 110 through 115 removed outlier: 4.953A pdb=" N GLY C 115 " --> pdb=" O ARG C 111 " (cutoff:3.500A) Processing helix chain 'C' and resid 196 through 201 removed outlier: 3.885A pdb=" N VAL C 200 " --> pdb=" O PRO C 196 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N ALA C 201 " --> pdb=" O SER C 197 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 196 through 201' Processing helix chain 'C' and resid 211 through 219 removed outlier: 3.875A pdb=" N GLN C 217 " --> pdb=" O ILE C 213 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N ASN C 218 " --> pdb=" O ASN C 214 " (cutoff:3.500A) removed outlier: 5.720A pdb=" N MET C 219 " --> pdb=" O GLU C 215 " (cutoff:3.500A) Processing helix chain 'C' and resid 220 through 229 Processing helix chain 'D' and resid 110 through 115 removed outlier: 4.954A pdb=" N GLY D 115 " --> pdb=" O ARG D 111 " (cutoff:3.500A) Processing helix chain 'D' and resid 196 through 201 removed outlier: 3.885A pdb=" N VAL D 200 " --> pdb=" O PRO D 196 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N ALA D 201 " --> pdb=" O SER D 197 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 196 through 201' Processing helix chain 'D' and resid 211 through 219 removed outlier: 3.875A pdb=" N GLN D 217 " --> pdb=" O ILE D 213 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ASN D 218 " --> pdb=" O ASN D 214 " (cutoff:3.500A) removed outlier: 5.720A pdb=" N MET D 219 " --> pdb=" O GLU D 215 " (cutoff:3.500A) Processing helix chain 'D' and resid 220 through 229 Processing helix chain 'E' and resid 110 through 115 removed outlier: 4.954A pdb=" N GLY E 115 " --> pdb=" O ARG E 111 " (cutoff:3.500A) Processing helix chain 'E' and resid 196 through 201 removed outlier: 3.886A pdb=" N VAL E 200 " --> pdb=" O PRO E 196 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N ALA E 201 " --> pdb=" O SER E 197 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 196 through 201' Processing helix chain 'E' and resid 211 through 219 removed outlier: 3.876A pdb=" N GLN E 217 " --> pdb=" O ILE E 213 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ASN E 218 " --> pdb=" O ASN E 214 " (cutoff:3.500A) removed outlier: 5.721A pdb=" N MET E 219 " --> pdb=" O GLU E 215 " (cutoff:3.500A) Processing helix chain 'E' and resid 220 through 229 Processing helix chain 'F' and resid 110 through 115 removed outlier: 4.953A pdb=" N GLY F 115 " --> pdb=" O ARG F 111 " (cutoff:3.500A) Processing helix chain 'F' and resid 196 through 201 removed outlier: 3.885A pdb=" N VAL F 200 " --> pdb=" O PRO F 196 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N ALA F 201 " --> pdb=" O SER F 197 " (cutoff:3.500A) No H-bonds generated for 'chain 'F' and resid 196 through 201' Processing helix chain 'F' and resid 211 through 219 removed outlier: 3.876A pdb=" N GLN F 217 " --> pdb=" O ILE F 213 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ASN F 218 " --> pdb=" O ASN F 214 " (cutoff:3.500A) removed outlier: 5.720A pdb=" N MET F 219 " --> pdb=" O GLU F 215 " (cutoff:3.500A) Processing helix chain 'F' and resid 220 through 229 Processing helix chain 'G' and resid 110 through 115 removed outlier: 4.953A pdb=" N GLY G 115 " --> pdb=" O ARG G 111 " (cutoff:3.500A) Processing helix chain 'G' and resid 196 through 201 removed outlier: 3.884A pdb=" N VAL G 200 " --> pdb=" O PRO G 196 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N ALA G 201 " --> pdb=" O SER G 197 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 196 through 201' Processing helix chain 'G' and resid 211 through 219 removed outlier: 3.876A pdb=" N GLN G 217 " --> pdb=" O ILE G 213 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N ASN G 218 " --> pdb=" O ASN G 214 " (cutoff:3.500A) removed outlier: 5.721A pdb=" N MET G 219 " --> pdb=" O GLU G 215 " (cutoff:3.500A) Processing helix chain 'G' and resid 220 through 229 Processing helix chain 'H' and resid 110 through 115 removed outlier: 4.954A pdb=" N GLY H 115 " --> pdb=" O ARG H 111 " (cutoff:3.500A) Processing helix chain 'H' and resid 196 through 201 removed outlier: 3.885A pdb=" N VAL H 200 " --> pdb=" O PRO H 196 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N ALA H 201 " --> pdb=" O SER H 197 " (cutoff:3.500A) No H-bonds generated for 'chain 'H' and resid 196 through 201' Processing helix chain 'H' and resid 211 through 219 removed outlier: 3.876A pdb=" N GLN H 217 " --> pdb=" O ILE H 213 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ASN H 218 " --> pdb=" O ASN H 214 " (cutoff:3.500A) removed outlier: 5.720A pdb=" N MET H 219 " --> pdb=" O GLU H 215 " (cutoff:3.500A) Processing helix chain 'H' and resid 220 through 229 Processing helix chain 'I' and resid 110 through 115 removed outlier: 4.954A pdb=" N GLY I 115 " --> pdb=" O ARG I 111 " (cutoff:3.500A) Processing helix chain 'I' and resid 196 through 201 removed outlier: 3.886A pdb=" N VAL I 200 " --> pdb=" O PRO I 196 " (cutoff:3.500A) removed outlier: 5.557A pdb=" N ALA I 201 " --> pdb=" O SER I 197 " (cutoff:3.500A) No H-bonds generated for 'chain 'I' and resid 196 through 201' Processing helix chain 'I' and resid 211 through 219 removed outlier: 3.875A pdb=" N GLN I 217 " --> pdb=" O ILE I 213 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ASN I 218 " --> pdb=" O ASN I 214 " (cutoff:3.500A) removed outlier: 5.720A pdb=" N MET I 219 " --> pdb=" O GLU I 215 " (cutoff:3.500A) Processing helix chain 'I' and resid 220 through 229 Processing helix chain 'J' and resid 110 through 115 removed outlier: 4.953A pdb=" N GLY J 115 " --> pdb=" O ARG J 111 " (cutoff:3.500A) Processing helix chain 'J' and resid 196 through 201 removed outlier: 3.884A pdb=" N VAL J 200 " --> pdb=" O PRO J 196 " (cutoff:3.500A) removed outlier: 5.557A pdb=" N ALA J 201 " --> pdb=" O SER J 197 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 196 through 201' Processing helix chain 'J' and resid 211 through 219 removed outlier: 3.876A pdb=" N GLN J 217 " --> pdb=" O ILE J 213 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ASN J 218 " --> pdb=" O ASN J 214 " (cutoff:3.500A) removed outlier: 5.720A pdb=" N MET J 219 " --> pdb=" O GLU J 215 " (cutoff:3.500A) Processing helix chain 'J' and resid 220 through 229 Processing helix chain 'K' and resid 110 through 115 removed outlier: 4.953A pdb=" N GLY K 115 " --> pdb=" O ARG K 111 " (cutoff:3.500A) Processing helix chain 'K' and resid 196 through 201 removed outlier: 3.886A pdb=" N VAL K 200 " --> pdb=" O PRO K 196 " (cutoff:3.500A) removed outlier: 5.557A pdb=" N ALA K 201 " --> pdb=" O SER K 197 " (cutoff:3.500A) No H-bonds generated for 'chain 'K' and resid 196 through 201' Processing helix chain 'K' and resid 211 through 219 removed outlier: 3.876A pdb=" N GLN K 217 " --> pdb=" O ILE K 213 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ASN K 218 " --> pdb=" O ASN K 214 " (cutoff:3.500A) removed outlier: 5.721A pdb=" N MET K 219 " --> pdb=" O GLU K 215 " (cutoff:3.500A) Processing helix chain 'K' and resid 220 through 229 Processing helix chain 'L' and resid 110 through 115 removed outlier: 4.954A pdb=" N GLY L 115 " --> pdb=" O ARG L 111 " (cutoff:3.500A) Processing helix chain 'L' and resid 196 through 201 removed outlier: 3.885A pdb=" N VAL L 200 " --> pdb=" O PRO L 196 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N ALA L 201 " --> pdb=" O SER L 197 " (cutoff:3.500A) No H-bonds generated for 'chain 'L' and resid 196 through 201' Processing helix chain 'L' and resid 211 through 219 removed outlier: 3.876A pdb=" N GLN L 217 " --> pdb=" O ILE L 213 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ASN L 218 " --> pdb=" O ASN L 214 " (cutoff:3.500A) removed outlier: 5.720A pdb=" N MET L 219 " --> pdb=" O GLU L 215 " (cutoff:3.500A) Processing helix chain 'L' and resid 220 through 229 Processing helix chain 'M' and resid 110 through 115 removed outlier: 4.953A pdb=" N GLY M 115 " --> pdb=" O ARG M 111 " (cutoff:3.500A) Processing helix chain 'M' and resid 196 through 201 removed outlier: 3.885A pdb=" N VAL M 200 " --> pdb=" O PRO M 196 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N ALA M 201 " --> pdb=" O SER M 197 " (cutoff:3.500A) No H-bonds generated for 'chain 'M' and resid 196 through 201' Processing helix chain 'M' and resid 211 through 219 removed outlier: 3.875A pdb=" N GLN M 217 " --> pdb=" O ILE M 213 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ASN M 218 " --> pdb=" O ASN M 214 " (cutoff:3.500A) removed outlier: 5.720A pdb=" N MET M 219 " --> pdb=" O GLU M 215 " (cutoff:3.500A) Processing helix chain 'M' and resid 220 through 229 Processing helix chain 'N' and resid 110 through 115 removed outlier: 4.953A pdb=" N GLY N 115 " --> pdb=" O ARG N 111 " (cutoff:3.500A) Processing helix chain 'N' and resid 196 through 201 removed outlier: 3.885A pdb=" N VAL N 200 " --> pdb=" O PRO N 196 " (cutoff:3.500A) removed outlier: 5.557A pdb=" N ALA N 201 " --> pdb=" O SER N 197 " (cutoff:3.500A) No H-bonds generated for 'chain 'N' and resid 196 through 201' Processing helix chain 'N' and resid 211 through 219 removed outlier: 3.875A pdb=" N GLN N 217 " --> pdb=" O ILE N 213 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ASN N 218 " --> pdb=" O ASN N 214 " (cutoff:3.500A) removed outlier: 5.720A pdb=" N MET N 219 " --> pdb=" O GLU N 215 " (cutoff:3.500A) Processing helix chain 'N' and resid 220 through 229 Processing helix chain 'O' and resid 110 through 115 removed outlier: 4.953A pdb=" N GLY O 115 " --> pdb=" O ARG O 111 " (cutoff:3.500A) Processing helix chain 'O' and resid 196 through 201 removed outlier: 3.886A pdb=" N VAL O 200 " --> pdb=" O PRO O 196 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N ALA O 201 " --> pdb=" O SER O 197 " (cutoff:3.500A) No H-bonds generated for 'chain 'O' and resid 196 through 201' Processing helix chain 'O' and resid 211 through 219 removed outlier: 3.876A pdb=" N GLN O 217 " --> pdb=" O ILE O 213 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ASN O 218 " --> pdb=" O ASN O 214 " (cutoff:3.500A) removed outlier: 5.721A pdb=" N MET O 219 " --> pdb=" O GLU O 215 " (cutoff:3.500A) Processing helix chain 'O' and resid 220 through 229 Processing helix chain 'P' and resid 110 through 115 removed outlier: 4.953A pdb=" N GLY P 115 " --> pdb=" O ARG P 111 " (cutoff:3.500A) Processing helix chain 'P' and resid 196 through 201 removed outlier: 3.885A pdb=" N VAL P 200 " --> pdb=" O PRO P 196 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N ALA P 201 " --> pdb=" O SER P 197 " (cutoff:3.500A) No H-bonds generated for 'chain 'P' and resid 196 through 201' Processing helix chain 'P' and resid 211 through 219 removed outlier: 3.875A pdb=" N GLN P 217 " --> pdb=" O ILE P 213 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N ASN P 218 " --> pdb=" O ASN P 214 " (cutoff:3.500A) removed outlier: 5.719A pdb=" N MET P 219 " --> pdb=" O GLU P 215 " (cutoff:3.500A) Processing helix chain 'P' and resid 220 through 229 Processing helix chain 'Q' and resid 110 through 115 removed outlier: 4.953A pdb=" N GLY Q 115 " --> pdb=" O ARG Q 111 " (cutoff:3.500A) Processing helix chain 'Q' and resid 196 through 201 removed outlier: 3.885A pdb=" N VAL Q 200 " --> pdb=" O PRO Q 196 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N ALA Q 201 " --> pdb=" O SER Q 197 " (cutoff:3.500A) No H-bonds generated for 'chain 'Q' and resid 196 through 201' Processing helix chain 'Q' and resid 211 through 219 removed outlier: 3.876A pdb=" N GLN Q 217 " --> pdb=" O ILE Q 213 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ASN Q 218 " --> pdb=" O ASN Q 214 " (cutoff:3.500A) removed outlier: 5.720A pdb=" N MET Q 219 " --> pdb=" O GLU Q 215 " (cutoff:3.500A) Processing helix chain 'Q' and resid 220 through 229 Processing helix chain 'R' and resid 110 through 115 removed outlier: 4.954A pdb=" N GLY R 115 " --> pdb=" O ARG R 111 " (cutoff:3.500A) Processing helix chain 'R' and resid 196 through 201 removed outlier: 3.884A pdb=" N VAL R 200 " --> pdb=" O PRO R 196 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N ALA R 201 " --> pdb=" O SER R 197 " (cutoff:3.500A) No H-bonds generated for 'chain 'R' and resid 196 through 201' Processing helix chain 'R' and resid 211 through 219 removed outlier: 3.876A pdb=" N GLN R 217 " --> pdb=" O ILE R 213 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ASN R 218 " --> pdb=" O ASN R 214 " (cutoff:3.500A) removed outlier: 5.720A pdb=" N MET R 219 " --> pdb=" O GLU R 215 " (cutoff:3.500A) Processing helix chain 'R' and resid 220 through 229 Processing helix chain 'S' and resid 110 through 115 removed outlier: 4.953A pdb=" N GLY S 115 " --> pdb=" O ARG S 111 " (cutoff:3.500A) Processing helix chain 'S' and resid 196 through 201 removed outlier: 3.885A pdb=" N VAL S 200 " --> pdb=" O PRO S 196 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N ALA S 201 " --> pdb=" O SER S 197 " (cutoff:3.500A) No H-bonds generated for 'chain 'S' and resid 196 through 201' Processing helix chain 'S' and resid 211 through 219 removed outlier: 3.876A pdb=" N GLN S 217 " --> pdb=" O ILE S 213 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ASN S 218 " --> pdb=" O ASN S 214 " (cutoff:3.500A) removed outlier: 5.720A pdb=" N MET S 219 " --> pdb=" O GLU S 215 " (cutoff:3.500A) Processing helix chain 'S' and resid 220 through 229 Processing helix chain 'T' and resid 110 through 115 removed outlier: 4.954A pdb=" N GLY T 115 " --> pdb=" O ARG T 111 " (cutoff:3.500A) Processing helix chain 'T' and resid 196 through 201 removed outlier: 3.886A pdb=" N VAL T 200 " --> pdb=" O PRO T 196 " (cutoff:3.500A) removed outlier: 5.557A pdb=" N ALA T 201 " --> pdb=" O SER T 197 " (cutoff:3.500A) No H-bonds generated for 'chain 'T' and resid 196 through 201' Processing helix chain 'T' and resid 211 through 219 removed outlier: 3.875A pdb=" N GLN T 217 " --> pdb=" O ILE T 213 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ASN T 218 " --> pdb=" O ASN T 214 " (cutoff:3.500A) removed outlier: 5.720A pdb=" N MET T 219 " --> pdb=" O GLU T 215 " (cutoff:3.500A) Processing helix chain 'T' and resid 220 through 229 Processing helix chain 'U' and resid 110 through 115 removed outlier: 4.954A pdb=" N GLY U 115 " --> pdb=" O ARG U 111 " (cutoff:3.500A) Processing helix chain 'U' and resid 196 through 201 removed outlier: 3.885A pdb=" N VAL U 200 " --> pdb=" O PRO U 196 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N ALA U 201 " --> pdb=" O SER U 197 " (cutoff:3.500A) No H-bonds generated for 'chain 'U' and resid 196 through 201' Processing helix chain 'U' and resid 211 through 219 removed outlier: 3.876A pdb=" N GLN U 217 " --> pdb=" O ILE U 213 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N ASN U 218 " --> pdb=" O ASN U 214 " (cutoff:3.500A) removed outlier: 5.721A pdb=" N MET U 219 " --> pdb=" O GLU U 215 " (cutoff:3.500A) Processing helix chain 'U' and resid 220 through 229 Processing helix chain 'V' and resid 110 through 115 removed outlier: 4.953A pdb=" N GLY V 115 " --> pdb=" O ARG V 111 " (cutoff:3.500A) Processing helix chain 'V' and resid 196 through 201 removed outlier: 3.885A pdb=" N VAL V 200 " --> pdb=" O PRO V 196 " (cutoff:3.500A) removed outlier: 5.557A pdb=" N ALA V 201 " --> pdb=" O SER V 197 " (cutoff:3.500A) No H-bonds generated for 'chain 'V' and resid 196 through 201' Processing helix chain 'V' and resid 211 through 219 removed outlier: 3.875A pdb=" N GLN V 217 " --> pdb=" O ILE V 213 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ASN V 218 " --> pdb=" O ASN V 214 " (cutoff:3.500A) removed outlier: 5.720A pdb=" N MET V 219 " --> pdb=" O GLU V 215 " (cutoff:3.500A) Processing helix chain 'V' and resid 220 through 229 Processing helix chain 'W' and resid 110 through 115 removed outlier: 4.955A pdb=" N GLY W 115 " --> pdb=" O ARG W 111 " (cutoff:3.500A) Processing helix chain 'W' and resid 196 through 201 removed outlier: 3.886A pdb=" N VAL W 200 " --> pdb=" O PRO W 196 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N ALA W 201 " --> pdb=" O SER W 197 " (cutoff:3.500A) No H-bonds generated for 'chain 'W' and resid 196 through 201' Processing helix chain 'W' and resid 211 through 219 removed outlier: 3.875A pdb=" N GLN W 217 " --> pdb=" O ILE W 213 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ASN W 218 " --> pdb=" O ASN W 214 " (cutoff:3.500A) removed outlier: 5.721A pdb=" N MET W 219 " --> pdb=" O GLU W 215 " (cutoff:3.500A) Processing helix chain 'W' and resid 220 through 229 Processing helix chain 'X' and resid 110 through 115 removed outlier: 4.953A pdb=" N GLY X 115 " --> pdb=" O ARG X 111 " (cutoff:3.500A) Processing helix chain 'X' and resid 196 through 201 removed outlier: 3.884A pdb=" N VAL X 200 " --> pdb=" O PRO X 196 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N ALA X 201 " --> pdb=" O SER X 197 " (cutoff:3.500A) No H-bonds generated for 'chain 'X' and resid 196 through 201' Processing helix chain 'X' and resid 211 through 219 removed outlier: 3.876A pdb=" N GLN X 217 " --> pdb=" O ILE X 213 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N ASN X 218 " --> pdb=" O ASN X 214 " (cutoff:3.500A) removed outlier: 5.720A pdb=" N MET X 219 " --> pdb=" O GLU X 215 " (cutoff:3.500A) Processing helix chain 'X' and resid 220 through 229 Processing helix chain 'Y' and resid 110 through 115 removed outlier: 4.953A pdb=" N GLY Y 115 " --> pdb=" O ARG Y 111 " (cutoff:3.500A) Processing helix chain 'Y' and resid 196 through 201 removed outlier: 3.885A pdb=" N VAL Y 200 " --> pdb=" O PRO Y 196 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N ALA Y 201 " --> pdb=" O SER Y 197 " (cutoff:3.500A) No H-bonds generated for 'chain 'Y' and resid 196 through 201' Processing helix chain 'Y' and resid 211 through 219 removed outlier: 3.876A pdb=" N GLN Y 217 " --> pdb=" O ILE Y 213 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ASN Y 218 " --> pdb=" O ASN Y 214 " (cutoff:3.500A) removed outlier: 5.720A pdb=" N MET Y 219 " --> pdb=" O GLU Y 215 " (cutoff:3.500A) Processing helix chain 'Y' and resid 220 through 229 Processing helix chain 'Z' and resid 110 through 115 removed outlier: 4.953A pdb=" N GLY Z 115 " --> pdb=" O ARG Z 111 " (cutoff:3.500A) Processing helix chain 'Z' and resid 196 through 201 removed outlier: 3.885A pdb=" N VAL Z 200 " --> pdb=" O PRO Z 196 " (cutoff:3.500A) removed outlier: 5.558A pdb=" N ALA Z 201 " --> pdb=" O SER Z 197 " (cutoff:3.500A) No H-bonds generated for 'chain 'Z' and resid 196 through 201' Processing helix chain 'Z' and resid 211 through 219 removed outlier: 3.875A pdb=" N GLN Z 217 " --> pdb=" O ILE Z 213 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ASN Z 218 " --> pdb=" O ASN Z 214 " (cutoff:3.500A) removed outlier: 5.720A pdb=" N MET Z 219 " --> pdb=" O GLU Z 215 " (cutoff:3.500A) Processing helix chain 'Z' and resid 220 through 229 Processing helix chain 'a' and resid 21 through 26 removed outlier: 3.651A pdb=" N LEU a 25 " --> pdb=" O ARG a 21 " (cutoff:3.500A) Processing helix chain 'a' and resid 51 through 56 Proline residue: a 56 - end of helix Processing helix chain 'a' and resid 57 through 70 Processing helix chain 'a' and resid 193 through 208 Processing helix chain 'a' and resid 228 through 242 removed outlier: 3.831A pdb=" N ASN a 241 " --> pdb=" O ALA a 237 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N MET a 242 " --> pdb=" O ASP a 238 " (cutoff:3.500A) Processing helix chain 'a' and resid 327 through 339 removed outlier: 3.921A pdb=" N GLY a 339 " --> pdb=" O LEU a 335 " (cutoff:3.500A) Processing helix chain 'a' and resid 341 through 356 removed outlier: 3.556A pdb=" N SER a 347 " --> pdb=" O MET a 343 " (cutoff:3.500A) Processing helix chain 'b' and resid 21 through 26 removed outlier: 3.652A pdb=" N LEU b 25 " --> pdb=" O ARG b 21 " (cutoff:3.500A) Processing helix chain 'b' and resid 51 through 56 Proline residue: b 56 - end of helix Processing helix chain 'b' and resid 57 through 70 Processing helix chain 'b' and resid 193 through 208 Processing helix chain 'b' and resid 228 through 242 removed outlier: 3.831A pdb=" N ASN b 241 " --> pdb=" O ALA b 237 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N MET b 242 " --> pdb=" O ASP b 238 " (cutoff:3.500A) Processing helix chain 'b' and resid 327 through 339 removed outlier: 3.920A pdb=" N GLY b 339 " --> pdb=" O LEU b 335 " (cutoff:3.500A) Processing helix chain 'b' and resid 341 through 356 removed outlier: 3.556A pdb=" N SER b 347 " --> pdb=" O MET b 343 " (cutoff:3.500A) Processing helix chain 'c' and resid 21 through 26 removed outlier: 3.652A pdb=" N LEU c 25 " --> pdb=" O ARG c 21 " (cutoff:3.500A) Processing helix chain 'c' and resid 51 through 56 Proline residue: c 56 - end of helix Processing helix chain 'c' and resid 57 through 70 Processing helix chain 'c' and resid 193 through 208 Processing helix chain 'c' and resid 228 through 242 removed outlier: 3.830A pdb=" N ASN c 241 " --> pdb=" O ALA c 237 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N MET c 242 " --> pdb=" O ASP c 238 " (cutoff:3.500A) Processing helix chain 'c' and resid 327 through 339 removed outlier: 3.921A pdb=" N GLY c 339 " --> pdb=" O LEU c 335 " (cutoff:3.500A) Processing helix chain 'c' and resid 341 through 356 removed outlier: 3.557A pdb=" N SER c 347 " --> pdb=" O MET c 343 " (cutoff:3.500A) Processing helix chain 'd' and resid 21 through 26 removed outlier: 3.652A pdb=" N LEU d 25 " --> pdb=" O ARG d 21 " (cutoff:3.500A) Processing helix chain 'd' and resid 51 through 56 Proline residue: d 56 - end of helix Processing helix chain 'd' and resid 57 through 70 Processing helix chain 'd' and resid 193 through 208 Processing helix chain 'd' and resid 228 through 242 removed outlier: 3.830A pdb=" N ASN d 241 " --> pdb=" O ALA d 237 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N MET d 242 " --> pdb=" O ASP d 238 " (cutoff:3.500A) Processing helix chain 'd' and resid 327 through 339 removed outlier: 3.920A pdb=" N GLY d 339 " --> pdb=" O LEU d 335 " (cutoff:3.500A) Processing helix chain 'd' and resid 341 through 356 removed outlier: 3.555A pdb=" N SER d 347 " --> pdb=" O MET d 343 " (cutoff:3.500A) Processing helix chain 'e' and resid 21 through 26 removed outlier: 3.651A pdb=" N LEU e 25 " --> pdb=" O ARG e 21 " (cutoff:3.500A) Processing helix chain 'e' and resid 51 through 56 Proline residue: e 56 - end of helix Processing helix chain 'e' and resid 57 through 70 Processing helix chain 'e' and resid 193 through 208 Processing helix chain 'e' and resid 228 through 242 removed outlier: 3.831A pdb=" N ASN e 241 " --> pdb=" O ALA e 237 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N MET e 242 " --> pdb=" O ASP e 238 " (cutoff:3.500A) Processing helix chain 'e' and resid 327 through 339 removed outlier: 3.921A pdb=" N GLY e 339 " --> pdb=" O LEU e 335 " (cutoff:3.500A) Processing helix chain 'e' and resid 341 through 356 removed outlier: 3.556A pdb=" N SER e 347 " --> pdb=" O MET e 343 " (cutoff:3.500A) Processing helix chain 'f' and resid 21 through 26 removed outlier: 3.652A pdb=" N LEU f 25 " --> pdb=" O ARG f 21 " (cutoff:3.500A) Processing helix chain 'f' and resid 51 through 56 Proline residue: f 56 - end of helix Processing helix chain 'f' and resid 57 through 70 Processing helix chain 'f' and resid 193 through 208 Processing helix chain 'f' and resid 228 through 242 removed outlier: 3.831A pdb=" N ASN f 241 " --> pdb=" O ALA f 237 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N MET f 242 " --> pdb=" O ASP f 238 " (cutoff:3.500A) Processing helix chain 'f' and resid 327 through 339 removed outlier: 3.921A pdb=" N GLY f 339 " --> pdb=" O LEU f 335 " (cutoff:3.500A) Processing helix chain 'f' and resid 341 through 356 removed outlier: 3.556A pdb=" N SER f 347 " --> pdb=" O MET f 343 " (cutoff:3.500A) Processing helix chain 'g' and resid 21 through 26 removed outlier: 3.652A pdb=" N LEU g 25 " --> pdb=" O ARG g 21 " (cutoff:3.500A) Processing helix chain 'g' and resid 51 through 56 Proline residue: g 56 - end of helix Processing helix chain 'g' and resid 57 through 70 Processing helix chain 'g' and resid 193 through 208 Processing helix chain 'g' and resid 228 through 242 removed outlier: 3.832A pdb=" N ASN g 241 " --> pdb=" O ALA g 237 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N MET g 242 " --> pdb=" O ASP g 238 " (cutoff:3.500A) Processing helix chain 'g' and resid 327 through 339 removed outlier: 3.920A pdb=" N GLY g 339 " --> pdb=" O LEU g 335 " (cutoff:3.500A) Processing helix chain 'g' and resid 341 through 356 removed outlier: 3.556A pdb=" N SER g 347 " --> pdb=" O MET g 343 " (cutoff:3.500A) Processing helix chain 'h' and resid 21 through 26 removed outlier: 3.652A pdb=" N LEU h 25 " --> pdb=" O ARG h 21 " (cutoff:3.500A) Processing helix chain 'h' and resid 51 through 56 Proline residue: h 56 - end of helix Processing helix chain 'h' and resid 57 through 70 Processing helix chain 'h' and resid 193 through 208 Processing helix chain 'h' and resid 228 through 242 removed outlier: 3.831A pdb=" N ASN h 241 " --> pdb=" O ALA h 237 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N MET h 242 " --> pdb=" O ASP h 238 " (cutoff:3.500A) Processing helix chain 'h' and resid 327 through 339 removed outlier: 3.921A pdb=" N GLY h 339 " --> pdb=" O LEU h 335 " (cutoff:3.500A) Processing helix chain 'h' and resid 341 through 356 removed outlier: 3.556A pdb=" N SER h 347 " --> pdb=" O MET h 343 " (cutoff:3.500A) Processing helix chain 'i' and resid 21 through 26 removed outlier: 3.651A pdb=" N LEU i 25 " --> pdb=" O ARG i 21 " (cutoff:3.500A) Processing helix chain 'i' and resid 51 through 56 Proline residue: i 56 - end of helix Processing helix chain 'i' and resid 57 through 70 Processing helix chain 'i' and resid 193 through 208 Processing helix chain 'i' and resid 228 through 242 removed outlier: 3.831A pdb=" N ASN i 241 " --> pdb=" O ALA i 237 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N MET i 242 " --> pdb=" O ASP i 238 " (cutoff:3.500A) Processing helix chain 'i' and resid 327 through 339 removed outlier: 3.921A pdb=" N GLY i 339 " --> pdb=" O LEU i 335 " (cutoff:3.500A) Processing helix chain 'i' and resid 341 through 356 removed outlier: 3.556A pdb=" N SER i 347 " --> pdb=" O MET i 343 " (cutoff:3.500A) Processing helix chain 'j' and resid 21 through 26 removed outlier: 3.651A pdb=" N LEU j 25 " --> pdb=" O ARG j 21 " (cutoff:3.500A) Processing helix chain 'j' and resid 51 through 56 Proline residue: j 56 - end of helix Processing helix chain 'j' and resid 57 through 70 Processing helix chain 'j' and resid 193 through 208 Processing helix chain 'j' and resid 228 through 242 removed outlier: 3.830A pdb=" N ASN j 241 " --> pdb=" O ALA j 237 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N MET j 242 " --> pdb=" O ASP j 238 " (cutoff:3.500A) Processing helix chain 'j' and resid 327 through 339 removed outlier: 3.920A pdb=" N GLY j 339 " --> pdb=" O LEU j 335 " (cutoff:3.500A) Processing helix chain 'j' and resid 341 through 356 removed outlier: 3.556A pdb=" N SER j 347 " --> pdb=" O MET j 343 " (cutoff:3.500A) Processing helix chain 'k' and resid 21 through 26 removed outlier: 3.652A pdb=" N LEU k 25 " --> pdb=" O ARG k 21 " (cutoff:3.500A) Processing helix chain 'k' and resid 51 through 56 Proline residue: k 56 - end of helix Processing helix chain 'k' and resid 57 through 70 Processing helix chain 'k' and resid 193 through 208 Processing helix chain 'k' and resid 228 through 242 removed outlier: 3.831A pdb=" N ASN k 241 " --> pdb=" O ALA k 237 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N MET k 242 " --> pdb=" O ASP k 238 " (cutoff:3.500A) Processing helix chain 'k' and resid 327 through 339 removed outlier: 3.920A pdb=" N GLY k 339 " --> pdb=" O LEU k 335 " (cutoff:3.500A) Processing helix chain 'k' and resid 341 through 356 removed outlier: 3.556A pdb=" N SER k 347 " --> pdb=" O MET k 343 " (cutoff:3.500A) Processing helix chain 'l' and resid 21 through 26 removed outlier: 3.651A pdb=" N LEU l 25 " --> pdb=" O ARG l 21 " (cutoff:3.500A) Processing helix chain 'l' and resid 51 through 56 Proline residue: l 56 - end of helix Processing helix chain 'l' and resid 57 through 70 Processing helix chain 'l' and resid 193 through 208 Processing helix chain 'l' and resid 228 through 242 removed outlier: 3.831A pdb=" N ASN l 241 " --> pdb=" O ALA l 237 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N MET l 242 " --> pdb=" O ASP l 238 " (cutoff:3.500A) Processing helix chain 'l' and resid 327 through 339 removed outlier: 3.921A pdb=" N GLY l 339 " --> pdb=" O LEU l 335 " (cutoff:3.500A) Processing helix chain 'l' and resid 341 through 356 removed outlier: 3.557A pdb=" N SER l 347 " --> pdb=" O MET l 343 " (cutoff:3.500A) Processing helix chain 'm' and resid 21 through 26 removed outlier: 3.652A pdb=" N LEU m 25 " --> pdb=" O ARG m 21 " (cutoff:3.500A) Processing helix chain 'm' and resid 51 through 56 Proline residue: m 56 - end of helix Processing helix chain 'm' and resid 57 through 70 Processing helix chain 'm' and resid 193 through 208 Processing helix chain 'm' and resid 228 through 242 removed outlier: 3.830A pdb=" N ASN m 241 " --> pdb=" O ALA m 237 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N MET m 242 " --> pdb=" O ASP m 238 " (cutoff:3.500A) Processing helix chain 'm' and resid 327 through 339 removed outlier: 3.920A pdb=" N GLY m 339 " --> pdb=" O LEU m 335 " (cutoff:3.500A) Processing helix chain 'm' and resid 341 through 356 removed outlier: 3.556A pdb=" N SER m 347 " --> pdb=" O MET m 343 " (cutoff:3.500A) Processing helix chain 'n' and resid 21 through 26 removed outlier: 3.652A pdb=" N LEU n 25 " --> pdb=" O ARG n 21 " (cutoff:3.500A) Processing helix chain 'n' and resid 51 through 56 Proline residue: n 56 - end of helix Processing helix chain 'n' and resid 57 through 70 Processing helix chain 'n' and resid 193 through 208 Processing helix chain 'n' and resid 228 through 242 removed outlier: 3.830A pdb=" N ASN n 241 " --> pdb=" O ALA n 237 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N MET n 242 " --> pdb=" O ASP n 238 " (cutoff:3.500A) Processing helix chain 'n' and resid 327 through 339 removed outlier: 3.921A pdb=" N GLY n 339 " --> pdb=" O LEU n 335 " (cutoff:3.500A) Processing helix chain 'n' and resid 341 through 356 removed outlier: 3.557A pdb=" N SER n 347 " --> pdb=" O MET n 343 " (cutoff:3.500A) Processing helix chain 'o' and resid 21 through 26 removed outlier: 3.652A pdb=" N LEU o 25 " --> pdb=" O ARG o 21 " (cutoff:3.500A) Processing helix chain 'o' and resid 51 through 56 Proline residue: o 56 - end of helix Processing helix chain 'o' and resid 57 through 70 Processing helix chain 'o' and resid 193 through 208 Processing helix chain 'o' and resid 228 through 242 removed outlier: 3.831A pdb=" N ASN o 241 " --> pdb=" O ALA o 237 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N MET o 242 " --> pdb=" O ASP o 238 " (cutoff:3.500A) Processing helix chain 'o' and resid 327 through 339 removed outlier: 3.920A pdb=" N GLY o 339 " --> pdb=" O LEU o 335 " (cutoff:3.500A) Processing helix chain 'o' and resid 341 through 356 removed outlier: 3.556A pdb=" N SER o 347 " --> pdb=" O MET o 343 " (cutoff:3.500A) Processing helix chain 'p' and resid 21 through 26 removed outlier: 3.651A pdb=" N LEU p 25 " --> pdb=" O ARG p 21 " (cutoff:3.500A) Processing helix chain 'p' and resid 51 through 56 Proline residue: p 56 - end of helix Processing helix chain 'p' and resid 57 through 70 Processing helix chain 'p' and resid 193 through 208 Processing helix chain 'p' and resid 228 through 242 removed outlier: 3.831A pdb=" N ASN p 241 " --> pdb=" O ALA p 237 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N MET p 242 " --> pdb=" O ASP p 238 " (cutoff:3.500A) Processing helix chain 'p' and resid 327 through 339 removed outlier: 3.921A pdb=" N GLY p 339 " --> pdb=" O LEU p 335 " (cutoff:3.500A) Processing helix chain 'p' and resid 341 through 356 removed outlier: 3.557A pdb=" N SER p 347 " --> pdb=" O MET p 343 " (cutoff:3.500A) Processing helix chain 'q' and resid 21 through 26 removed outlier: 3.652A pdb=" N LEU q 25 " --> pdb=" O ARG q 21 " (cutoff:3.500A) Processing helix chain 'q' and resid 51 through 56 Proline residue: q 56 - end of helix Processing helix chain 'q' and resid 57 through 70 Processing helix chain 'q' and resid 193 through 208 Processing helix chain 'q' and resid 228 through 242 removed outlier: 3.830A pdb=" N ASN q 241 " --> pdb=" O ALA q 237 " (cutoff:3.500A) removed outlier: 3.872A pdb=" N MET q 242 " --> pdb=" O ASP q 238 " (cutoff:3.500A) Processing helix chain 'q' and resid 327 through 339 removed outlier: 3.920A pdb=" N GLY q 339 " --> pdb=" O LEU q 335 " (cutoff:3.500A) Processing helix chain 'q' and resid 341 through 356 removed outlier: 3.556A pdb=" N SER q 347 " --> pdb=" O MET q 343 " (cutoff:3.500A) Processing helix chain 'r' and resid 21 through 26 removed outlier: 3.651A pdb=" N LEU r 25 " --> pdb=" O ARG r 21 " (cutoff:3.500A) Processing helix chain 'r' and resid 51 through 56 Proline residue: r 56 - end of helix Processing helix chain 'r' and resid 57 through 70 Processing helix chain 'r' and resid 193 through 208 Processing helix chain 'r' and resid 228 through 242 removed outlier: 3.831A pdb=" N ASN r 241 " --> pdb=" O ALA r 237 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N MET r 242 " --> pdb=" O ASP r 238 " (cutoff:3.500A) Processing helix chain 'r' and resid 327 through 339 removed outlier: 3.920A pdb=" N GLY r 339 " --> pdb=" O LEU r 335 " (cutoff:3.500A) Processing helix chain 'r' and resid 341 through 356 removed outlier: 3.556A pdb=" N SER r 347 " --> pdb=" O MET r 343 " (cutoff:3.500A) Processing helix chain 's' and resid 21 through 26 removed outlier: 3.651A pdb=" N LEU s 25 " --> pdb=" O ARG s 21 " (cutoff:3.500A) Processing helix chain 's' and resid 51 through 56 Proline residue: s 56 - end of helix Processing helix chain 's' and resid 57 through 70 Processing helix chain 's' and resid 193 through 208 Processing helix chain 's' and resid 228 through 242 removed outlier: 3.831A pdb=" N ASN s 241 " --> pdb=" O ALA s 237 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N MET s 242 " --> pdb=" O ASP s 238 " (cutoff:3.500A) Processing helix chain 's' and resid 327 through 339 removed outlier: 3.921A pdb=" N GLY s 339 " --> pdb=" O LEU s 335 " (cutoff:3.500A) Processing helix chain 's' and resid 341 through 356 removed outlier: 3.556A pdb=" N SER s 347 " --> pdb=" O MET s 343 " (cutoff:3.500A) Processing helix chain 't' and resid 21 through 26 removed outlier: 3.651A pdb=" N LEU t 25 " --> pdb=" O ARG t 21 " (cutoff:3.500A) Processing helix chain 't' and resid 51 through 56 Proline residue: t 56 - end of helix Processing helix chain 't' and resid 57 through 70 Processing helix chain 't' and resid 193 through 208 Processing helix chain 't' and resid 228 through 242 removed outlier: 3.831A pdb=" N ASN t 241 " --> pdb=" O ALA t 237 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N MET t 242 " --> pdb=" O ASP t 238 " (cutoff:3.500A) Processing helix chain 't' and resid 327 through 339 removed outlier: 3.921A pdb=" N GLY t 339 " --> pdb=" O LEU t 335 " (cutoff:3.500A) Processing helix chain 't' and resid 341 through 356 removed outlier: 3.556A pdb=" N SER t 347 " --> pdb=" O MET t 343 " (cutoff:3.500A) Processing helix chain 'u' and resid 21 through 26 removed outlier: 3.651A pdb=" N LEU u 25 " --> pdb=" O ARG u 21 " (cutoff:3.500A) Processing helix chain 'u' and resid 51 through 56 Proline residue: u 56 - end of helix Processing helix chain 'u' and resid 57 through 70 Processing helix chain 'u' and resid 193 through 208 Processing helix chain 'u' and resid 228 through 242 removed outlier: 3.830A pdb=" N ASN u 241 " --> pdb=" O ALA u 237 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N MET u 242 " --> pdb=" O ASP u 238 " (cutoff:3.500A) Processing helix chain 'u' and resid 327 through 339 removed outlier: 3.921A pdb=" N GLY u 339 " --> pdb=" O LEU u 335 " (cutoff:3.500A) Processing helix chain 'u' and resid 341 through 356 removed outlier: 3.557A pdb=" N SER u 347 " --> pdb=" O MET u 343 " (cutoff:3.500A) Processing helix chain 'v' and resid 21 through 26 removed outlier: 3.651A pdb=" N LEU v 25 " --> pdb=" O ARG v 21 " (cutoff:3.500A) Processing helix chain 'v' and resid 51 through 56 Proline residue: v 56 - end of helix Processing helix chain 'v' and resid 57 through 70 Processing helix chain 'v' and resid 193 through 208 Processing helix chain 'v' and resid 228 through 242 removed outlier: 3.831A pdb=" N ASN v 241 " --> pdb=" O ALA v 237 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N MET v 242 " --> pdb=" O ASP v 238 " (cutoff:3.500A) Processing helix chain 'v' and resid 327 through 339 removed outlier: 3.921A pdb=" N GLY v 339 " --> pdb=" O LEU v 335 " (cutoff:3.500A) Processing helix chain 'v' and resid 341 through 356 removed outlier: 3.556A pdb=" N SER v 347 " --> pdb=" O MET v 343 " (cutoff:3.500A) Processing helix chain 'w' and resid 21 through 26 removed outlier: 3.652A pdb=" N LEU w 25 " --> pdb=" O ARG w 21 " (cutoff:3.500A) Processing helix chain 'w' and resid 51 through 56 Proline residue: w 56 - end of helix Processing helix chain 'w' and resid 57 through 70 Processing helix chain 'w' and resid 193 through 208 Processing helix chain 'w' and resid 228 through 242 removed outlier: 3.831A pdb=" N ASN w 241 " --> pdb=" O ALA w 237 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N MET w 242 " --> pdb=" O ASP w 238 " (cutoff:3.500A) Processing helix chain 'w' and resid 327 through 339 removed outlier: 3.920A pdb=" N GLY w 339 " --> pdb=" O LEU w 335 " (cutoff:3.500A) Processing helix chain 'w' and resid 341 through 356 removed outlier: 3.556A pdb=" N SER w 347 " --> pdb=" O MET w 343 " (cutoff:3.500A) Processing helix chain 'x' and resid 21 through 26 removed outlier: 3.652A pdb=" N LEU x 25 " --> pdb=" O ARG x 21 " (cutoff:3.500A) Processing helix chain 'x' and resid 51 through 56 Proline residue: x 56 - end of helix Processing helix chain 'x' and resid 57 through 70 Processing helix chain 'x' and resid 193 through 208 Processing helix chain 'x' and resid 228 through 242 removed outlier: 3.831A pdb=" N ASN x 241 " --> pdb=" O ALA x 237 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N MET x 242 " --> pdb=" O ASP x 238 " (cutoff:3.500A) Processing helix chain 'x' and resid 327 through 339 removed outlier: 3.921A pdb=" N GLY x 339 " --> pdb=" O LEU x 335 " (cutoff:3.500A) Processing helix chain 'x' and resid 341 through 356 removed outlier: 3.556A pdb=" N SER x 347 " --> pdb=" O MET x 343 " (cutoff:3.500A) Processing helix chain 'y' and resid 21 through 26 removed outlier: 3.651A pdb=" N LEU y 25 " --> pdb=" O ARG y 21 " (cutoff:3.500A) Processing helix chain 'y' and resid 51 through 56 Proline residue: y 56 - end of helix Processing helix chain 'y' and resid 57 through 70 Processing helix chain 'y' and resid 193 through 208 Processing helix chain 'y' and resid 228 through 242 removed outlier: 3.830A pdb=" N ASN y 241 " --> pdb=" O ALA y 237 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N MET y 242 " --> pdb=" O ASP y 238 " (cutoff:3.500A) Processing helix chain 'y' and resid 327 through 339 removed outlier: 3.921A pdb=" N GLY y 339 " --> pdb=" O LEU y 335 " (cutoff:3.500A) Processing helix chain 'y' and resid 341 through 356 removed outlier: 3.556A pdb=" N SER y 347 " --> pdb=" O MET y 343 " (cutoff:3.500A) Processing helix chain 'z' and resid 21 through 26 removed outlier: 3.651A pdb=" N LEU z 25 " --> pdb=" O ARG z 21 " (cutoff:3.500A) Processing helix chain 'z' and resid 51 through 56 Proline residue: z 56 - end of helix Processing helix chain 'z' and resid 57 through 70 Processing helix chain 'z' and resid 193 through 208 Processing helix chain 'z' and resid 228 through 242 removed outlier: 3.831A pdb=" N ASN z 241 " --> pdb=" O ALA z 237 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N MET z 242 " --> pdb=" O ASP z 238 " (cutoff:3.500A) Processing helix chain 'z' and resid 327 through 339 removed outlier: 3.921A pdb=" N GLY z 339 " --> pdb=" O LEU z 335 " (cutoff:3.500A) Processing helix chain 'z' and resid 341 through 356 removed outlier: 3.557A pdb=" N SER z 347 " --> pdb=" O MET z 343 " (cutoff:3.500A) Processing helix chain '1' and resid 47 through 63 removed outlier: 6.724A pdb=" N SER 1 51 " --> pdb=" O ASP 1 47 " (cutoff:3.500A) removed outlier: 5.060A pdb=" N HIS 1 52 " --> pdb=" O ASP 1 48 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N GLY 1 63 " --> pdb=" O CYS 1 59 " (cutoff:3.500A) Processing helix chain '2' and resid 47 through 63 removed outlier: 6.725A pdb=" N SER 2 51 " --> pdb=" O ASP 2 47 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N HIS 2 52 " --> pdb=" O ASP 2 48 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N GLY 2 63 " --> pdb=" O CYS 2 59 " (cutoff:3.500A) Processing helix chain '3' and resid 47 through 63 removed outlier: 6.725A pdb=" N SER 3 51 " --> pdb=" O ASP 3 47 " (cutoff:3.500A) removed outlier: 5.060A pdb=" N HIS 3 52 " --> pdb=" O ASP 3 48 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N GLY 3 63 " --> pdb=" O CYS 3 59 " (cutoff:3.500A) Processing helix chain '4' and resid 47 through 63 removed outlier: 6.725A pdb=" N SER 4 51 " --> pdb=" O ASP 4 47 " (cutoff:3.500A) removed outlier: 5.060A pdb=" N HIS 4 52 " --> pdb=" O ASP 4 48 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N GLY 4 63 " --> pdb=" O CYS 4 59 " (cutoff:3.500A) Processing helix chain '5' and resid 47 through 63 removed outlier: 6.725A pdb=" N SER 5 51 " --> pdb=" O ASP 5 47 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N HIS 5 52 " --> pdb=" O ASP 5 48 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N GLY 5 63 " --> pdb=" O CYS 5 59 " (cutoff:3.500A) Processing helix chain '6' and resid 47 through 63 removed outlier: 6.724A pdb=" N SER 6 51 " --> pdb=" O ASP 6 47 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N HIS 6 52 " --> pdb=" O ASP 6 48 " (cutoff:3.500A) removed outlier: 3.926A pdb=" N GLY 6 63 " --> pdb=" O CYS 6 59 " (cutoff:3.500A) Processing helix chain '7' and resid 47 through 63 removed outlier: 6.724A pdb=" N SER 7 51 " --> pdb=" O ASP 7 47 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N HIS 7 52 " --> pdb=" O ASP 7 48 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N GLY 7 63 " --> pdb=" O CYS 7 59 " (cutoff:3.500A) Processing helix chain '8' and resid 47 through 63 removed outlier: 6.725A pdb=" N SER 8 51 " --> pdb=" O ASP 8 47 " (cutoff:3.500A) removed outlier: 5.060A pdb=" N HIS 8 52 " --> pdb=" O ASP 8 48 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N GLY 8 63 " --> pdb=" O CYS 8 59 " (cutoff:3.500A) Processing helix chain '9' and resid 47 through 63 removed outlier: 6.724A pdb=" N SER 9 51 " --> pdb=" O ASP 9 47 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N HIS 9 52 " --> pdb=" O ASP 9 48 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N GLY 9 63 " --> pdb=" O CYS 9 59 " (cutoff:3.500A) Processing helix chain '10' and resid 47 through 63 removed outlier: 6.724A pdb=" N SER10 51 " --> pdb=" O ASP10 47 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N HIS10 52 " --> pdb=" O ASP10 48 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N GLY10 63 " --> pdb=" O CYS10 59 " (cutoff:3.500A) Processing helix chain '11' and resid 47 through 63 removed outlier: 6.724A pdb=" N SER11 51 " --> pdb=" O ASP11 47 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N HIS11 52 " --> pdb=" O ASP11 48 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N GLY11 63 " --> pdb=" O CYS11 59 " (cutoff:3.500A) Processing helix chain '12' and resid 47 through 63 removed outlier: 6.725A pdb=" N SER12 51 " --> pdb=" O ASP12 47 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N HIS12 52 " --> pdb=" O ASP12 48 " (cutoff:3.500A) removed outlier: 3.928A pdb=" N GLY12 63 " --> pdb=" O CYS12 59 " (cutoff:3.500A) Processing helix chain '13' and resid 47 through 63 removed outlier: 6.725A pdb=" N SER13 51 " --> pdb=" O ASP13 47 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N HIS13 52 " --> pdb=" O ASP13 48 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N GLY13 63 " --> pdb=" O CYS13 59 " (cutoff:3.500A) Processing helix chain '14' and resid 47 through 63 removed outlier: 6.724A pdb=" N SER14 51 " --> pdb=" O ASP14 47 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N HIS14 52 " --> pdb=" O ASP14 48 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N GLY14 63 " --> pdb=" O CYS14 59 " (cutoff:3.500A) Processing helix chain '15' and resid 47 through 63 removed outlier: 6.725A pdb=" N SER15 51 " --> pdb=" O ASP15 47 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N HIS15 52 " --> pdb=" O ASP15 48 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N GLY15 63 " --> pdb=" O CYS15 59 " (cutoff:3.500A) Processing helix chain '16' and resid 47 through 63 removed outlier: 6.724A pdb=" N SER16 51 " --> pdb=" O ASP16 47 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N HIS16 52 " --> pdb=" O ASP16 48 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N GLY16 63 " --> pdb=" O CYS16 59 " (cutoff:3.500A) Processing helix chain '17' and resid 47 through 63 removed outlier: 6.724A pdb=" N SER17 51 " --> pdb=" O ASP17 47 " (cutoff:3.500A) removed outlier: 5.060A pdb=" N HIS17 52 " --> pdb=" O ASP17 48 " (cutoff:3.500A) removed outlier: 3.926A pdb=" N GLY17 63 " --> pdb=" O CYS17 59 " (cutoff:3.500A) Processing helix chain '18' and resid 47 through 63 removed outlier: 6.725A pdb=" N SER18 51 " --> pdb=" O ASP18 47 " (cutoff:3.500A) removed outlier: 5.060A pdb=" N HIS18 52 " --> pdb=" O ASP18 48 " (cutoff:3.500A) removed outlier: 3.926A pdb=" N GLY18 63 " --> pdb=" O CYS18 59 " (cutoff:3.500A) Processing helix chain '19' and resid 47 through 63 removed outlier: 6.724A pdb=" N SER19 51 " --> pdb=" O ASP19 47 " (cutoff:3.500A) removed outlier: 5.060A pdb=" N HIS19 52 " --> pdb=" O ASP19 48 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N GLY19 63 " --> pdb=" O CYS19 59 " (cutoff:3.500A) Processing helix chain '20' and resid 47 through 63 removed outlier: 6.724A pdb=" N SER20 51 " --> pdb=" O ASP20 47 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N HIS20 52 " --> pdb=" O ASP20 48 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N GLY20 63 " --> pdb=" O CYS20 59 " (cutoff:3.500A) Processing helix chain '21' and resid 47 through 63 removed outlier: 6.725A pdb=" N SER21 51 " --> pdb=" O ASP21 47 " (cutoff:3.500A) removed outlier: 5.060A pdb=" N HIS21 52 " --> pdb=" O ASP21 48 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N GLY21 63 " --> pdb=" O CYS21 59 " (cutoff:3.500A) Processing helix chain '22' and resid 47 through 63 removed outlier: 6.725A pdb=" N SER22 51 " --> pdb=" O ASP22 47 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N HIS22 52 " --> pdb=" O ASP22 48 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N GLY22 63 " --> pdb=" O CYS22 59 " (cutoff:3.500A) Processing helix chain '23' and resid 47 through 63 removed outlier: 6.725A pdb=" N SER23 51 " --> pdb=" O ASP23 47 " (cutoff:3.500A) removed outlier: 5.060A pdb=" N HIS23 52 " --> pdb=" O ASP23 48 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N GLY23 63 " --> pdb=" O CYS23 59 " (cutoff:3.500A) Processing helix chain '24' and resid 47 through 63 removed outlier: 6.724A pdb=" N SER24 51 " --> pdb=" O ASP24 47 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N HIS24 52 " --> pdb=" O ASP24 48 " (cutoff:3.500A) removed outlier: 3.926A pdb=" N GLY24 63 " --> pdb=" O CYS24 59 " (cutoff:3.500A) Processing helix chain '25' and resid 47 through 63 removed outlier: 6.725A pdb=" N SER25 51 " --> pdb=" O ASP25 47 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N HIS25 52 " --> pdb=" O ASP25 48 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N GLY25 63 " --> pdb=" O CYS25 59 " (cutoff:3.500A) Processing helix chain '26' and resid 47 through 63 removed outlier: 6.724A pdb=" N SER26 51 " --> pdb=" O ASP26 47 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N HIS26 52 " --> pdb=" O ASP26 48 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N GLY26 63 " --> pdb=" O CYS26 59 " (cutoff:3.500A) Processing sheet with id= 1, first strand: chain 'A' and resid 80 through 105 removed outlier: 6.558A pdb=" N GLY A 146 " --> pdb=" O LEU A 82 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'A' and resid 162 through 170 removed outlier: 4.232A pdb=" N THR A 175 " --> pdb=" O ASN A 210 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain 'B' and resid 80 through 105 removed outlier: 6.557A pdb=" N GLY B 146 " --> pdb=" O LEU B 82 " (cutoff:3.500A) Processing sheet with id= 4, first strand: chain 'B' and resid 162 through 170 removed outlier: 4.231A pdb=" N THR B 175 " --> pdb=" O ASN B 210 " (cutoff:3.500A) Processing sheet with id= 5, first strand: chain 'C' and resid 80 through 105 removed outlier: 6.557A pdb=" N GLY C 146 " --> pdb=" O LEU C 82 " (cutoff:3.500A) Processing sheet with id= 6, first strand: chain 'C' and resid 162 through 170 removed outlier: 4.232A pdb=" N THR C 175 " --> pdb=" O ASN C 210 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'D' and resid 80 through 105 removed outlier: 6.558A pdb=" N GLY D 146 " --> pdb=" O LEU D 82 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'D' and resid 162 through 170 removed outlier: 4.231A pdb=" N THR D 175 " --> pdb=" O ASN D 210 " (cutoff:3.500A) Processing sheet with id= 9, first strand: chain 'E' and resid 80 through 105 removed outlier: 6.558A pdb=" N GLY E 146 " --> pdb=" O LEU E 82 " (cutoff:3.500A) Processing sheet with id= 10, first strand: chain 'E' and resid 162 through 170 removed outlier: 4.230A pdb=" N THR E 175 " --> pdb=" O ASN E 210 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'F' and resid 80 through 105 removed outlier: 6.558A pdb=" N GLY F 146 " --> pdb=" O LEU F 82 " (cutoff:3.500A) Processing sheet with id= 12, first strand: chain 'F' and resid 162 through 170 removed outlier: 4.231A pdb=" N THR F 175 " --> pdb=" O ASN F 210 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'G' and resid 80 through 105 removed outlier: 6.557A pdb=" N GLY G 146 " --> pdb=" O LEU G 82 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'G' and resid 162 through 170 removed outlier: 4.232A pdb=" N THR G 175 " --> pdb=" O ASN G 210 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'H' and resid 80 through 105 removed outlier: 6.558A pdb=" N GLY H 146 " --> pdb=" O LEU H 82 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'H' and resid 162 through 170 removed outlier: 4.231A pdb=" N THR H 175 " --> pdb=" O ASN H 210 " (cutoff:3.500A) Processing sheet with id= 17, first strand: chain 'I' and resid 80 through 105 removed outlier: 6.557A pdb=" N GLY I 146 " --> pdb=" O LEU I 82 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain 'I' and resid 162 through 170 removed outlier: 4.231A pdb=" N THR I 175 " --> pdb=" O ASN I 210 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'J' and resid 80 through 105 removed outlier: 6.558A pdb=" N GLY J 146 " --> pdb=" O LEU J 82 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'J' and resid 162 through 170 removed outlier: 4.231A pdb=" N THR J 175 " --> pdb=" O ASN J 210 " (cutoff:3.500A) Processing sheet with id= 21, first strand: chain 'K' and resid 80 through 105 removed outlier: 6.558A pdb=" N GLY K 146 " --> pdb=" O LEU K 82 " (cutoff:3.500A) Processing sheet with id= 22, first strand: chain 'K' and resid 162 through 170 removed outlier: 4.231A pdb=" N THR K 175 " --> pdb=" O ASN K 210 " (cutoff:3.500A) Processing sheet with id= 23, first strand: chain 'L' and resid 80 through 105 removed outlier: 6.558A pdb=" N GLY L 146 " --> pdb=" O LEU L 82 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'L' and resid 162 through 170 removed outlier: 4.232A pdb=" N THR L 175 " --> pdb=" O ASN L 210 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'M' and resid 80 through 105 removed outlier: 6.558A pdb=" N GLY M 146 " --> pdb=" O LEU M 82 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'M' and resid 162 through 170 removed outlier: 4.231A pdb=" N THR M 175 " --> pdb=" O ASN M 210 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'N' and resid 80 through 105 removed outlier: 6.558A pdb=" N GLY N 146 " --> pdb=" O LEU N 82 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 'N' and resid 162 through 170 removed outlier: 4.231A pdb=" N THR N 175 " --> pdb=" O ASN N 210 " (cutoff:3.500A) Processing sheet with id= 29, first strand: chain 'O' and resid 80 through 105 removed outlier: 6.558A pdb=" N GLY O 146 " --> pdb=" O LEU O 82 " (cutoff:3.500A) Processing sheet with id= 30, first strand: chain 'O' and resid 162 through 170 removed outlier: 4.231A pdb=" N THR O 175 " --> pdb=" O ASN O 210 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'P' and resid 80 through 105 removed outlier: 6.557A pdb=" N GLY P 146 " --> pdb=" O LEU P 82 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain 'P' and resid 162 through 170 removed outlier: 4.231A pdb=" N THR P 175 " --> pdb=" O ASN P 210 " (cutoff:3.500A) Processing sheet with id= 33, first strand: chain 'Q' and resid 80 through 105 removed outlier: 6.558A pdb=" N GLY Q 146 " --> pdb=" O LEU Q 82 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain 'Q' and resid 162 through 170 removed outlier: 4.231A pdb=" N THR Q 175 " --> pdb=" O ASN Q 210 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'R' and resid 80 through 105 removed outlier: 6.558A pdb=" N GLY R 146 " --> pdb=" O LEU R 82 " (cutoff:3.500A) Processing sheet with id= 36, first strand: chain 'R' and resid 162 through 170 removed outlier: 4.232A pdb=" N THR R 175 " --> pdb=" O ASN R 210 " (cutoff:3.500A) Processing sheet with id= 37, first strand: chain 'S' and resid 80 through 105 removed outlier: 6.558A pdb=" N GLY S 146 " --> pdb=" O LEU S 82 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'S' and resid 162 through 170 removed outlier: 4.231A pdb=" N THR S 175 " --> pdb=" O ASN S 210 " (cutoff:3.500A) Processing sheet with id= 39, first strand: chain 'T' and resid 80 through 105 removed outlier: 6.557A pdb=" N GLY T 146 " --> pdb=" O LEU T 82 " (cutoff:3.500A) Processing sheet with id= 40, first strand: chain 'T' and resid 162 through 170 removed outlier: 4.231A pdb=" N THR T 175 " --> pdb=" O ASN T 210 " (cutoff:3.500A) Processing sheet with id= 41, first strand: chain 'U' and resid 80 through 105 removed outlier: 6.559A pdb=" N GLY U 146 " --> pdb=" O LEU U 82 " (cutoff:3.500A) Processing sheet with id= 42, first strand: chain 'U' and resid 162 through 170 removed outlier: 4.231A pdb=" N THR U 175 " --> pdb=" O ASN U 210 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'V' and resid 80 through 105 removed outlier: 6.558A pdb=" N GLY V 146 " --> pdb=" O LEU V 82 " (cutoff:3.500A) Processing sheet with id= 44, first strand: chain 'V' and resid 162 through 170 removed outlier: 4.231A pdb=" N THR V 175 " --> pdb=" O ASN V 210 " (cutoff:3.500A) Processing sheet with id= 45, first strand: chain 'W' and resid 80 through 105 removed outlier: 6.557A pdb=" N GLY W 146 " --> pdb=" O LEU W 82 " (cutoff:3.500A) Processing sheet with id= 46, first strand: chain 'W' and resid 162 through 170 removed outlier: 4.232A pdb=" N THR W 175 " --> pdb=" O ASN W 210 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'X' and resid 80 through 105 removed outlier: 6.558A pdb=" N GLY X 146 " --> pdb=" O LEU X 82 " (cutoff:3.500A) Processing sheet with id= 48, first strand: chain 'X' and resid 162 through 170 removed outlier: 4.231A pdb=" N THR X 175 " --> pdb=" O ASN X 210 " (cutoff:3.500A) Processing sheet with id= 49, first strand: chain 'Y' and resid 80 through 105 removed outlier: 6.558A pdb=" N GLY Y 146 " --> pdb=" O LEU Y 82 " (cutoff:3.500A) Processing sheet with id= 50, first strand: chain 'Y' and resid 162 through 170 removed outlier: 4.231A pdb=" N THR Y 175 " --> pdb=" O ASN Y 210 " (cutoff:3.500A) Processing sheet with id= 51, first strand: chain 'Z' and resid 80 through 105 removed outlier: 6.558A pdb=" N GLY Z 146 " --> pdb=" O LEU Z 82 " (cutoff:3.500A) Processing sheet with id= 52, first strand: chain 'Z' and resid 162 through 170 removed outlier: 4.232A pdb=" N THR Z 175 " --> pdb=" O ASN Z 210 " (cutoff:3.500A) Processing sheet with id= 53, first strand: chain 'a' and resid 33 through 40 removed outlier: 4.430A pdb=" N SER a 92 " --> pdb=" O ASP a 104 " (cutoff:3.500A) removed outlier: 6.208A pdb=" N ASP a 104 " --> pdb=" O SER a 92 " (cutoff:3.500A) removed outlier: 7.997A pdb=" N ASN a 161 " --> pdb=" O SER a 109 " (cutoff:3.500A) Processing sheet with id= 54, first strand: chain 'a' and resid 117 through 122 removed outlier: 7.142A pdb=" N ARG a 117 " --> pdb=" O VAL a 143 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N VAL a 143 " --> pdb=" O ARG a 117 " (cutoff:3.500A) removed outlier: 4.775A pdb=" N GLY a 119 " --> pdb=" O ILE a 141 " (cutoff:3.500A) Processing sheet with id= 55, first strand: chain 'a' and resid 183 through 189 removed outlier: 4.846A pdb=" N ASN a 183 " --> pdb=" O VAL a 225 " (cutoff:3.500A) removed outlier: 5.985A pdb=" N ARG a 219 " --> pdb=" O LEU a 189 " (cutoff:3.500A) removed outlier: 6.430A pdb=" N THR a 220 " --> pdb=" O LEU a 216 " (cutoff:3.500A) removed outlier: 6.378A pdb=" N SER a 212 " --> pdb=" O ARG a 224 " (cutoff:3.500A) Processing sheet with id= 56, first strand: chain 'a' and resid 260 through 264 removed outlier: 6.445A pdb=" N SER a 261 " --> pdb=" O ASN a 256 " (cutoff:3.500A) removed outlier: 6.874A pdb=" N SER a 257 " --> pdb=" O ILE a 365 " (cutoff:3.500A) Processing sheet with id= 57, first strand: chain 'a' and resid 269 through 276 removed outlier: 5.006A pdb=" N SER a 272 " --> pdb=" O ARG a 323 " (cutoff:3.500A) removed outlier: 7.129A pdb=" N ARG a 323 " --> pdb=" O SER a 272 " (cutoff:3.500A) removed outlier: 6.573A pdb=" N ALA a 274 " --> pdb=" O SER a 321 " (cutoff:3.500A) removed outlier: 6.820A pdb=" N SER a 321 " --> pdb=" O ALA a 274 " (cutoff:3.500A) removed outlier: 6.258A pdb=" N ALA a 276 " --> pdb=" O LEU a 319 " (cutoff:3.500A) removed outlier: 6.305A pdb=" N LEU a 319 " --> pdb=" O ALA a 276 " (cutoff:3.500A) Processing sheet with id= 58, first strand: chain 'a' and resid 101 through 104 No H-bonds generated for sheet with id= 58 Processing sheet with id= 59, first strand: chain 'a' and resid 135 through 138 removed outlier: 5.296A pdb=" N GLY a 168 " --> pdb=" O GLN a 138 " (cutoff:3.500A) Processing sheet with id= 60, first strand: chain 'b' and resid 33 through 40 removed outlier: 4.430A pdb=" N SER b 92 " --> pdb=" O ASP b 104 " (cutoff:3.500A) removed outlier: 6.208A pdb=" N ASP b 104 " --> pdb=" O SER b 92 " (cutoff:3.500A) removed outlier: 7.997A pdb=" N ASN b 161 " --> pdb=" O SER b 109 " (cutoff:3.500A) Processing sheet with id= 61, first strand: chain 'b' and resid 117 through 122 removed outlier: 7.142A pdb=" N ARG b 117 " --> pdb=" O VAL b 143 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N VAL b 143 " --> pdb=" O ARG b 117 " (cutoff:3.500A) removed outlier: 4.775A pdb=" N GLY b 119 " --> pdb=" O ILE b 141 " (cutoff:3.500A) Processing sheet with id= 62, first strand: chain 'b' and resid 183 through 189 removed outlier: 4.846A pdb=" N ASN b 183 " --> pdb=" O VAL b 225 " (cutoff:3.500A) removed outlier: 5.985A pdb=" N ARG b 219 " --> pdb=" O LEU b 189 " (cutoff:3.500A) removed outlier: 6.430A pdb=" N THR b 220 " --> pdb=" O LEU b 216 " (cutoff:3.500A) removed outlier: 6.378A pdb=" N SER b 212 " --> pdb=" O ARG b 224 " (cutoff:3.500A) Processing sheet with id= 63, first strand: chain 'b' and resid 260 through 264 removed outlier: 6.445A pdb=" N SER b 261 " --> pdb=" O ASN b 256 " (cutoff:3.500A) removed outlier: 6.873A pdb=" N SER b 257 " --> pdb=" O ILE b 365 " (cutoff:3.500A) Processing sheet with id= 64, first strand: chain 'b' and resid 269 through 276 removed outlier: 5.006A pdb=" N SER b 272 " --> pdb=" O ARG b 323 " (cutoff:3.500A) removed outlier: 7.130A pdb=" N ARG b 323 " --> pdb=" O SER b 272 " (cutoff:3.500A) removed outlier: 6.573A pdb=" N ALA b 274 " --> pdb=" O SER b 321 " (cutoff:3.500A) removed outlier: 6.820A pdb=" N SER b 321 " --> pdb=" O ALA b 274 " (cutoff:3.500A) removed outlier: 6.257A pdb=" N ALA b 276 " --> pdb=" O LEU b 319 " (cutoff:3.500A) removed outlier: 6.305A pdb=" N LEU b 319 " --> pdb=" O ALA b 276 " (cutoff:3.500A) Processing sheet with id= 65, first strand: chain 'b' and resid 101 through 104 No H-bonds generated for sheet with id= 65 Processing sheet with id= 66, first strand: chain 'b' and resid 135 through 138 removed outlier: 5.296A pdb=" N GLY b 168 " --> pdb=" O GLN b 138 " (cutoff:3.500A) Processing sheet with id= 67, first strand: chain 'c' and resid 33 through 40 removed outlier: 4.431A pdb=" N SER c 92 " --> pdb=" O ASP c 104 " (cutoff:3.500A) removed outlier: 6.208A pdb=" N ASP c 104 " --> pdb=" O SER c 92 " (cutoff:3.500A) removed outlier: 7.996A pdb=" N ASN c 161 " --> pdb=" O SER c 109 " (cutoff:3.500A) Processing sheet with id= 68, first strand: chain 'c' and resid 117 through 122 removed outlier: 7.143A pdb=" N ARG c 117 " --> pdb=" O VAL c 143 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N VAL c 143 " --> pdb=" O ARG c 117 " (cutoff:3.500A) removed outlier: 4.775A pdb=" N GLY c 119 " --> pdb=" O ILE c 141 " (cutoff:3.500A) Processing sheet with id= 69, first strand: chain 'c' and resid 183 through 189 removed outlier: 4.846A pdb=" N ASN c 183 " --> pdb=" O VAL c 225 " (cutoff:3.500A) removed outlier: 5.984A pdb=" N ARG c 219 " --> pdb=" O LEU c 189 " (cutoff:3.500A) removed outlier: 6.430A pdb=" N THR c 220 " --> pdb=" O LEU c 216 " (cutoff:3.500A) removed outlier: 6.377A pdb=" N SER c 212 " --> pdb=" O ARG c 224 " (cutoff:3.500A) Processing sheet with id= 70, first strand: chain 'c' and resid 260 through 264 removed outlier: 6.445A pdb=" N SER c 261 " --> pdb=" O ASN c 256 " (cutoff:3.500A) removed outlier: 6.874A pdb=" N SER c 257 " --> pdb=" O ILE c 365 " (cutoff:3.500A) Processing sheet with id= 71, first strand: chain 'c' and resid 269 through 276 removed outlier: 5.007A pdb=" N SER c 272 " --> pdb=" O ARG c 323 " (cutoff:3.500A) removed outlier: 7.130A pdb=" N ARG c 323 " --> pdb=" O SER c 272 " (cutoff:3.500A) removed outlier: 6.574A pdb=" N ALA c 274 " --> pdb=" O SER c 321 " (cutoff:3.500A) removed outlier: 6.820A pdb=" N SER c 321 " --> pdb=" O ALA c 274 " (cutoff:3.500A) removed outlier: 6.257A pdb=" N ALA c 276 " --> pdb=" O LEU c 319 " (cutoff:3.500A) removed outlier: 6.305A pdb=" N LEU c 319 " --> pdb=" O ALA c 276 " (cutoff:3.500A) Processing sheet with id= 72, first strand: chain 'c' and resid 101 through 104 No H-bonds generated for sheet with id= 72 Processing sheet with id= 73, first strand: chain 'c' and resid 135 through 138 removed outlier: 5.295A pdb=" N GLY c 168 " --> pdb=" O GLN c 138 " (cutoff:3.500A) Processing sheet with id= 74, first strand: chain 'd' and resid 33 through 40 removed outlier: 4.431A pdb=" N SER d 92 " --> pdb=" O ASP d 104 " (cutoff:3.500A) removed outlier: 6.208A pdb=" N ASP d 104 " --> pdb=" O SER d 92 " (cutoff:3.500A) removed outlier: 7.997A pdb=" N ASN d 161 " --> pdb=" O SER d 109 " (cutoff:3.500A) Processing sheet with id= 75, first strand: chain 'd' and resid 117 through 122 removed outlier: 7.143A pdb=" N ARG d 117 " --> pdb=" O VAL d 143 " (cutoff:3.500A) removed outlier: 4.330A pdb=" N VAL d 143 " --> pdb=" O ARG d 117 " (cutoff:3.500A) removed outlier: 4.775A pdb=" N GLY d 119 " --> pdb=" O ILE d 141 " (cutoff:3.500A) Processing sheet with id= 76, first strand: chain 'd' and resid 183 through 189 removed outlier: 4.846A pdb=" N ASN d 183 " --> pdb=" O VAL d 225 " (cutoff:3.500A) removed outlier: 5.985A pdb=" N ARG d 219 " --> pdb=" O LEU d 189 " (cutoff:3.500A) removed outlier: 6.430A pdb=" N THR d 220 " --> pdb=" O LEU d 216 " (cutoff:3.500A) removed outlier: 6.377A pdb=" N SER d 212 " --> pdb=" O ARG d 224 " (cutoff:3.500A) Processing sheet with id= 77, first strand: chain 'd' and resid 260 through 264 removed outlier: 6.445A pdb=" N SER d 261 " --> pdb=" O ASN d 256 " (cutoff:3.500A) removed outlier: 6.875A pdb=" N SER d 257 " --> pdb=" O ILE d 365 " (cutoff:3.500A) Processing sheet with id= 78, first strand: chain 'd' and resid 269 through 276 removed outlier: 5.006A pdb=" N SER d 272 " --> pdb=" O ARG d 323 " (cutoff:3.500A) removed outlier: 7.129A pdb=" N ARG d 323 " --> pdb=" O SER d 272 " (cutoff:3.500A) removed outlier: 6.573A pdb=" N ALA d 274 " --> pdb=" O SER d 321 " (cutoff:3.500A) removed outlier: 6.820A pdb=" N SER d 321 " --> pdb=" O ALA d 274 " (cutoff:3.500A) removed outlier: 6.257A pdb=" N ALA d 276 " --> pdb=" O LEU d 319 " (cutoff:3.500A) removed outlier: 6.305A pdb=" N LEU d 319 " --> pdb=" O ALA d 276 " (cutoff:3.500A) Processing sheet with id= 79, first strand: chain 'd' and resid 101 through 104 No H-bonds generated for sheet with id= 79 Processing sheet with id= 80, first strand: chain 'd' and resid 135 through 138 removed outlier: 5.295A pdb=" N GLY d 168 " --> pdb=" O GLN d 138 " (cutoff:3.500A) Processing sheet with id= 81, first strand: chain 'e' and resid 33 through 40 removed outlier: 4.431A pdb=" N SER e 92 " --> pdb=" O ASP e 104 " (cutoff:3.500A) removed outlier: 6.209A pdb=" N ASP e 104 " --> pdb=" O SER e 92 " (cutoff:3.500A) removed outlier: 7.997A pdb=" N ASN e 161 " --> pdb=" O SER e 109 " (cutoff:3.500A) Processing sheet with id= 82, first strand: chain 'e' and resid 117 through 122 removed outlier: 7.143A pdb=" N ARG e 117 " --> pdb=" O VAL e 143 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N VAL e 143 " --> pdb=" O ARG e 117 " (cutoff:3.500A) removed outlier: 4.775A pdb=" N GLY e 119 " --> pdb=" O ILE e 141 " (cutoff:3.500A) Processing sheet with id= 83, first strand: chain 'e' and resid 183 through 189 removed outlier: 4.846A pdb=" N ASN e 183 " --> pdb=" O VAL e 225 " (cutoff:3.500A) removed outlier: 5.985A pdb=" N ARG e 219 " --> pdb=" O LEU e 189 " (cutoff:3.500A) removed outlier: 6.430A pdb=" N THR e 220 " --> pdb=" O LEU e 216 " (cutoff:3.500A) removed outlier: 6.379A pdb=" N SER e 212 " --> pdb=" O ARG e 224 " (cutoff:3.500A) Processing sheet with id= 84, first strand: chain 'e' and resid 260 through 264 removed outlier: 6.445A pdb=" N SER e 261 " --> pdb=" O ASN e 256 " (cutoff:3.500A) removed outlier: 6.873A pdb=" N SER e 257 " --> pdb=" O ILE e 365 " (cutoff:3.500A) Processing sheet with id= 85, first strand: chain 'e' and resid 269 through 276 removed outlier: 5.007A pdb=" N SER e 272 " --> pdb=" O ARG e 323 " (cutoff:3.500A) removed outlier: 7.129A pdb=" N ARG e 323 " --> pdb=" O SER e 272 " (cutoff:3.500A) removed outlier: 6.573A pdb=" N ALA e 274 " --> pdb=" O SER e 321 " (cutoff:3.500A) removed outlier: 6.821A pdb=" N SER e 321 " --> pdb=" O ALA e 274 " (cutoff:3.500A) removed outlier: 6.257A pdb=" N ALA e 276 " --> pdb=" O LEU e 319 " (cutoff:3.500A) removed outlier: 6.304A pdb=" N LEU e 319 " --> pdb=" O ALA e 276 " (cutoff:3.500A) Processing sheet with id= 86, first strand: chain 'e' and resid 101 through 104 No H-bonds generated for sheet with id= 86 Processing sheet with id= 87, first strand: chain 'e' and resid 135 through 138 removed outlier: 5.295A pdb=" N GLY e 168 " --> pdb=" O GLN e 138 " (cutoff:3.500A) Processing sheet with id= 88, first strand: chain 'f' and resid 33 through 40 removed outlier: 4.431A pdb=" N SER f 92 " --> pdb=" O ASP f 104 " (cutoff:3.500A) removed outlier: 6.208A pdb=" N ASP f 104 " --> pdb=" O SER f 92 " (cutoff:3.500A) removed outlier: 7.997A pdb=" N ASN f 161 " --> pdb=" O SER f 109 " (cutoff:3.500A) Processing sheet with id= 89, first strand: chain 'f' and resid 117 through 122 removed outlier: 7.143A pdb=" N ARG f 117 " --> pdb=" O VAL f 143 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N VAL f 143 " --> pdb=" O ARG f 117 " (cutoff:3.500A) removed outlier: 4.774A pdb=" N GLY f 119 " --> pdb=" O ILE f 141 " (cutoff:3.500A) Processing sheet with id= 90, first strand: chain 'f' and resid 183 through 189 removed outlier: 4.845A pdb=" N ASN f 183 " --> pdb=" O VAL f 225 " (cutoff:3.500A) removed outlier: 5.985A pdb=" N ARG f 219 " --> pdb=" O LEU f 189 " (cutoff:3.500A) removed outlier: 6.430A pdb=" N THR f 220 " --> pdb=" O LEU f 216 " (cutoff:3.500A) removed outlier: 6.378A pdb=" N SER f 212 " --> pdb=" O ARG f 224 " (cutoff:3.500A) Processing sheet with id= 91, first strand: chain 'f' and resid 260 through 264 removed outlier: 6.445A pdb=" N SER f 261 " --> pdb=" O ASN f 256 " (cutoff:3.500A) removed outlier: 6.874A pdb=" N SER f 257 " --> pdb=" O ILE f 365 " (cutoff:3.500A) Processing sheet with id= 92, first strand: chain 'f' and resid 269 through 276 removed outlier: 5.006A pdb=" N SER f 272 " --> pdb=" O ARG f 323 " (cutoff:3.500A) removed outlier: 7.129A pdb=" N ARG f 323 " --> pdb=" O SER f 272 " (cutoff:3.500A) removed outlier: 6.573A pdb=" N ALA f 274 " --> pdb=" O SER f 321 " (cutoff:3.500A) removed outlier: 6.821A pdb=" N SER f 321 " --> pdb=" O ALA f 274 " (cutoff:3.500A) removed outlier: 6.257A pdb=" N ALA f 276 " --> pdb=" O LEU f 319 " (cutoff:3.500A) removed outlier: 6.305A pdb=" N LEU f 319 " --> pdb=" O ALA f 276 " (cutoff:3.500A) Processing sheet with id= 93, first strand: chain 'f' and resid 101 through 104 No H-bonds generated for sheet with id= 93 Processing sheet with id= 94, first strand: chain 'f' and resid 135 through 138 removed outlier: 5.295A pdb=" N GLY f 168 " --> pdb=" O GLN f 138 " (cutoff:3.500A) Processing sheet with id= 95, first strand: chain 'g' and resid 33 through 40 removed outlier: 4.430A pdb=" N SER g 92 " --> pdb=" O ASP g 104 " (cutoff:3.500A) removed outlier: 6.208A pdb=" N ASP g 104 " --> pdb=" O SER g 92 " (cutoff:3.500A) removed outlier: 7.996A pdb=" N ASN g 161 " --> pdb=" O SER g 109 " (cutoff:3.500A) Processing sheet with id= 96, first strand: chain 'g' and resid 117 through 122 removed outlier: 7.143A pdb=" N ARG g 117 " --> pdb=" O VAL g 143 " (cutoff:3.500A) removed outlier: 4.330A pdb=" N VAL g 143 " --> pdb=" O ARG g 117 " (cutoff:3.500A) removed outlier: 4.775A pdb=" N GLY g 119 " --> pdb=" O ILE g 141 " (cutoff:3.500A) Processing sheet with id= 97, first strand: chain 'g' and resid 183 through 189 removed outlier: 4.845A pdb=" N ASN g 183 " --> pdb=" O VAL g 225 " (cutoff:3.500A) removed outlier: 5.985A pdb=" N ARG g 219 " --> pdb=" O LEU g 189 " (cutoff:3.500A) removed outlier: 6.430A pdb=" N THR g 220 " --> pdb=" O LEU g 216 " (cutoff:3.500A) removed outlier: 6.377A pdb=" N SER g 212 " --> pdb=" O ARG g 224 " (cutoff:3.500A) Processing sheet with id= 98, first strand: chain 'g' and resid 260 through 264 removed outlier: 6.445A pdb=" N SER g 261 " --> pdb=" O ASN g 256 " (cutoff:3.500A) removed outlier: 6.874A pdb=" N SER g 257 " --> pdb=" O ILE g 365 " (cutoff:3.500A) Processing sheet with id= 99, first strand: chain 'g' and resid 269 through 276 removed outlier: 5.006A pdb=" N SER g 272 " --> pdb=" O ARG g 323 " (cutoff:3.500A) removed outlier: 7.129A pdb=" N ARG g 323 " --> pdb=" O SER g 272 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N ALA g 274 " --> pdb=" O SER g 321 " (cutoff:3.500A) removed outlier: 6.821A pdb=" N SER g 321 " --> pdb=" O ALA g 274 " (cutoff:3.500A) removed outlier: 6.257A pdb=" N ALA g 276 " --> pdb=" O LEU g 319 " (cutoff:3.500A) removed outlier: 6.304A pdb=" N LEU g 319 " --> pdb=" O ALA g 276 " (cutoff:3.500A) Processing sheet with id=100, first strand: chain 'g' and resid 101 through 104 No H-bonds generated for sheet with id=100 Processing sheet with id=101, first strand: chain 'g' and resid 135 through 138 removed outlier: 5.296A pdb=" N GLY g 168 " --> pdb=" O GLN g 138 " (cutoff:3.500A) Processing sheet with id=102, first strand: chain 'h' and resid 33 through 40 removed outlier: 4.431A pdb=" N SER h 92 " --> pdb=" O ASP h 104 " (cutoff:3.500A) removed outlier: 6.208A pdb=" N ASP h 104 " --> pdb=" O SER h 92 " (cutoff:3.500A) removed outlier: 7.997A pdb=" N ASN h 161 " --> pdb=" O SER h 109 " (cutoff:3.500A) Processing sheet with id=103, first strand: chain 'h' and resid 117 through 122 removed outlier: 7.142A pdb=" N ARG h 117 " --> pdb=" O VAL h 143 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N VAL h 143 " --> pdb=" O ARG h 117 " (cutoff:3.500A) removed outlier: 4.775A pdb=" N GLY h 119 " --> pdb=" O ILE h 141 " (cutoff:3.500A) Processing sheet with id=104, first strand: chain 'h' and resid 183 through 189 removed outlier: 4.845A pdb=" N ASN h 183 " --> pdb=" O VAL h 225 " (cutoff:3.500A) removed outlier: 5.985A pdb=" N ARG h 219 " --> pdb=" O LEU h 189 " (cutoff:3.500A) removed outlier: 6.430A pdb=" N THR h 220 " --> pdb=" O LEU h 216 " (cutoff:3.500A) removed outlier: 6.378A pdb=" N SER h 212 " --> pdb=" O ARG h 224 " (cutoff:3.500A) Processing sheet with id=105, first strand: chain 'h' and resid 260 through 264 removed outlier: 6.445A pdb=" N SER h 261 " --> pdb=" O ASN h 256 " (cutoff:3.500A) removed outlier: 6.875A pdb=" N SER h 257 " --> pdb=" O ILE h 365 " (cutoff:3.500A) Processing sheet with id=106, first strand: chain 'h' and resid 269 through 276 removed outlier: 5.006A pdb=" N SER h 272 " --> pdb=" O ARG h 323 " (cutoff:3.500A) removed outlier: 7.130A pdb=" N ARG h 323 " --> pdb=" O SER h 272 " (cutoff:3.500A) removed outlier: 6.573A pdb=" N ALA h 274 " --> pdb=" O SER h 321 " (cutoff:3.500A) removed outlier: 6.821A pdb=" N SER h 321 " --> pdb=" O ALA h 274 " (cutoff:3.500A) removed outlier: 6.257A pdb=" N ALA h 276 " --> pdb=" O LEU h 319 " (cutoff:3.500A) removed outlier: 6.305A pdb=" N LEU h 319 " --> pdb=" O ALA h 276 " (cutoff:3.500A) Processing sheet with id=107, first strand: chain 'h' and resid 101 through 104 No H-bonds generated for sheet with id=107 Processing sheet with id=108, first strand: chain 'h' and resid 135 through 138 removed outlier: 5.296A pdb=" N GLY h 168 " --> pdb=" O GLN h 138 " (cutoff:3.500A) Processing sheet with id=109, first strand: chain 'i' and resid 33 through 40 removed outlier: 4.431A pdb=" N SER i 92 " --> pdb=" O ASP i 104 " (cutoff:3.500A) removed outlier: 6.208A pdb=" N ASP i 104 " --> pdb=" O SER i 92 " (cutoff:3.500A) removed outlier: 7.996A pdb=" N ASN i 161 " --> pdb=" O SER i 109 " (cutoff:3.500A) Processing sheet with id=110, first strand: chain 'i' and resid 117 through 122 removed outlier: 7.143A pdb=" N ARG i 117 " --> pdb=" O VAL i 143 " (cutoff:3.500A) removed outlier: 4.330A pdb=" N VAL i 143 " --> pdb=" O ARG i 117 " (cutoff:3.500A) removed outlier: 4.775A pdb=" N GLY i 119 " --> pdb=" O ILE i 141 " (cutoff:3.500A) Processing sheet with id=111, first strand: chain 'i' and resid 183 through 189 removed outlier: 4.846A pdb=" N ASN i 183 " --> pdb=" O VAL i 225 " (cutoff:3.500A) removed outlier: 5.985A pdb=" N ARG i 219 " --> pdb=" O LEU i 189 " (cutoff:3.500A) removed outlier: 6.430A pdb=" N THR i 220 " --> pdb=" O LEU i 216 " (cutoff:3.500A) removed outlier: 6.378A pdb=" N SER i 212 " --> pdb=" O ARG i 224 " (cutoff:3.500A) Processing sheet with id=112, first strand: chain 'i' and resid 260 through 264 removed outlier: 6.445A pdb=" N SER i 261 " --> pdb=" O ASN i 256 " (cutoff:3.500A) removed outlier: 6.874A pdb=" N SER i 257 " --> pdb=" O ILE i 365 " (cutoff:3.500A) Processing sheet with id=113, first strand: chain 'i' and resid 269 through 276 removed outlier: 5.006A pdb=" N SER i 272 " --> pdb=" O ARG i 323 " (cutoff:3.500A) removed outlier: 7.130A pdb=" N ARG i 323 " --> pdb=" O SER i 272 " (cutoff:3.500A) removed outlier: 6.573A pdb=" N ALA i 274 " --> pdb=" O SER i 321 " (cutoff:3.500A) removed outlier: 6.820A pdb=" N SER i 321 " --> pdb=" O ALA i 274 " (cutoff:3.500A) removed outlier: 6.258A pdb=" N ALA i 276 " --> pdb=" O LEU i 319 " (cutoff:3.500A) removed outlier: 6.305A pdb=" N LEU i 319 " --> pdb=" O ALA i 276 " (cutoff:3.500A) Processing sheet with id=114, first strand: chain 'i' and resid 101 through 104 No H-bonds generated for sheet with id=114 Processing sheet with id=115, first strand: chain 'i' and resid 135 through 138 removed outlier: 5.297A pdb=" N GLY i 168 " --> pdb=" O GLN i 138 " (cutoff:3.500A) Processing sheet with id=116, first strand: chain 'j' and resid 33 through 40 removed outlier: 4.430A pdb=" N SER j 92 " --> pdb=" O ASP j 104 " (cutoff:3.500A) removed outlier: 6.208A pdb=" N ASP j 104 " --> pdb=" O SER j 92 " (cutoff:3.500A) removed outlier: 7.995A pdb=" N ASN j 161 " --> pdb=" O SER j 109 " (cutoff:3.500A) Processing sheet with id=117, first strand: chain 'j' and resid 117 through 122 removed outlier: 7.142A pdb=" N ARG j 117 " --> pdb=" O VAL j 143 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N VAL j 143 " --> pdb=" O ARG j 117 " (cutoff:3.500A) removed outlier: 4.775A pdb=" N GLY j 119 " --> pdb=" O ILE j 141 " (cutoff:3.500A) Processing sheet with id=118, first strand: chain 'j' and resid 183 through 189 removed outlier: 4.846A pdb=" N ASN j 183 " --> pdb=" O VAL j 225 " (cutoff:3.500A) removed outlier: 5.985A pdb=" N ARG j 219 " --> pdb=" O LEU j 189 " (cutoff:3.500A) removed outlier: 6.430A pdb=" N THR j 220 " --> pdb=" O LEU j 216 " (cutoff:3.500A) removed outlier: 6.378A pdb=" N SER j 212 " --> pdb=" O ARG j 224 " (cutoff:3.500A) Processing sheet with id=119, first strand: chain 'j' and resid 260 through 264 removed outlier: 6.445A pdb=" N SER j 261 " --> pdb=" O ASN j 256 " (cutoff:3.500A) removed outlier: 6.874A pdb=" N SER j 257 " --> pdb=" O ILE j 365 " (cutoff:3.500A) Processing sheet with id=120, first strand: chain 'j' and resid 269 through 276 removed outlier: 5.007A pdb=" N SER j 272 " --> pdb=" O ARG j 323 " (cutoff:3.500A) removed outlier: 7.130A pdb=" N ARG j 323 " --> pdb=" O SER j 272 " (cutoff:3.500A) removed outlier: 6.573A pdb=" N ALA j 274 " --> pdb=" O SER j 321 " (cutoff:3.500A) removed outlier: 6.821A pdb=" N SER j 321 " --> pdb=" O ALA j 274 " (cutoff:3.500A) removed outlier: 6.257A pdb=" N ALA j 276 " --> pdb=" O LEU j 319 " (cutoff:3.500A) removed outlier: 6.305A pdb=" N LEU j 319 " --> pdb=" O ALA j 276 " (cutoff:3.500A) Processing sheet with id=121, first strand: chain 'j' and resid 101 through 104 No H-bonds generated for sheet with id=121 Processing sheet with id=122, first strand: chain 'j' and resid 135 through 138 removed outlier: 5.296A pdb=" N GLY j 168 " --> pdb=" O GLN j 138 " (cutoff:3.500A) Processing sheet with id=123, first strand: chain 'k' and resid 33 through 40 removed outlier: 4.431A pdb=" N SER k 92 " --> pdb=" O ASP k 104 " (cutoff:3.500A) removed outlier: 6.209A pdb=" N ASP k 104 " --> pdb=" O SER k 92 " (cutoff:3.500A) removed outlier: 7.997A pdb=" N ASN k 161 " --> pdb=" O SER k 109 " (cutoff:3.500A) Processing sheet with id=124, first strand: chain 'k' and resid 117 through 122 removed outlier: 7.143A pdb=" N ARG k 117 " --> pdb=" O VAL k 143 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N VAL k 143 " --> pdb=" O ARG k 117 " (cutoff:3.500A) removed outlier: 4.774A pdb=" N GLY k 119 " --> pdb=" O ILE k 141 " (cutoff:3.500A) Processing sheet with id=125, first strand: chain 'k' and resid 183 through 189 removed outlier: 4.845A pdb=" N ASN k 183 " --> pdb=" O VAL k 225 " (cutoff:3.500A) removed outlier: 5.985A pdb=" N ARG k 219 " --> pdb=" O LEU k 189 " (cutoff:3.500A) removed outlier: 6.429A pdb=" N THR k 220 " --> pdb=" O LEU k 216 " (cutoff:3.500A) removed outlier: 6.379A pdb=" N SER k 212 " --> pdb=" O ARG k 224 " (cutoff:3.500A) Processing sheet with id=126, first strand: chain 'k' and resid 260 through 264 removed outlier: 6.445A pdb=" N SER k 261 " --> pdb=" O ASN k 256 " (cutoff:3.500A) removed outlier: 6.874A pdb=" N SER k 257 " --> pdb=" O ILE k 365 " (cutoff:3.500A) Processing sheet with id=127, first strand: chain 'k' and resid 269 through 276 removed outlier: 5.007A pdb=" N SER k 272 " --> pdb=" O ARG k 323 " (cutoff:3.500A) removed outlier: 7.130A pdb=" N ARG k 323 " --> pdb=" O SER k 272 " (cutoff:3.500A) removed outlier: 6.574A pdb=" N ALA k 274 " --> pdb=" O SER k 321 " (cutoff:3.500A) removed outlier: 6.820A pdb=" N SER k 321 " --> pdb=" O ALA k 274 " (cutoff:3.500A) removed outlier: 6.258A pdb=" N ALA k 276 " --> pdb=" O LEU k 319 " (cutoff:3.500A) removed outlier: 6.305A pdb=" N LEU k 319 " --> pdb=" O ALA k 276 " (cutoff:3.500A) Processing sheet with id=128, first strand: chain 'k' and resid 101 through 104 No H-bonds generated for sheet with id=128 Processing sheet with id=129, first strand: chain 'k' and resid 135 through 138 removed outlier: 5.296A pdb=" N GLY k 168 " --> pdb=" O GLN k 138 " (cutoff:3.500A) Processing sheet with id=130, first strand: chain 'l' and resid 33 through 40 removed outlier: 4.430A pdb=" N SER l 92 " --> pdb=" O ASP l 104 " (cutoff:3.500A) removed outlier: 6.208A pdb=" N ASP l 104 " --> pdb=" O SER l 92 " (cutoff:3.500A) removed outlier: 7.996A pdb=" N ASN l 161 " --> pdb=" O SER l 109 " (cutoff:3.500A) Processing sheet with id=131, first strand: chain 'l' and resid 117 through 122 removed outlier: 7.143A pdb=" N ARG l 117 " --> pdb=" O VAL l 143 " (cutoff:3.500A) removed outlier: 4.330A pdb=" N VAL l 143 " --> pdb=" O ARG l 117 " (cutoff:3.500A) removed outlier: 4.774A pdb=" N GLY l 119 " --> pdb=" O ILE l 141 " (cutoff:3.500A) Processing sheet with id=132, first strand: chain 'l' and resid 183 through 189 removed outlier: 4.846A pdb=" N ASN l 183 " --> pdb=" O VAL l 225 " (cutoff:3.500A) removed outlier: 5.985A pdb=" N ARG l 219 " --> pdb=" O LEU l 189 " (cutoff:3.500A) removed outlier: 6.430A pdb=" N THR l 220 " --> pdb=" O LEU l 216 " (cutoff:3.500A) removed outlier: 6.377A pdb=" N SER l 212 " --> pdb=" O ARG l 224 " (cutoff:3.500A) Processing sheet with id=133, first strand: chain 'l' and resid 260 through 264 removed outlier: 6.444A pdb=" N SER l 261 " --> pdb=" O ASN l 256 " (cutoff:3.500A) removed outlier: 6.875A pdb=" N SER l 257 " --> pdb=" O ILE l 365 " (cutoff:3.500A) Processing sheet with id=134, first strand: chain 'l' and resid 269 through 276 removed outlier: 5.006A pdb=" N SER l 272 " --> pdb=" O ARG l 323 " (cutoff:3.500A) removed outlier: 7.130A pdb=" N ARG l 323 " --> pdb=" O SER l 272 " (cutoff:3.500A) removed outlier: 6.573A pdb=" N ALA l 274 " --> pdb=" O SER l 321 " (cutoff:3.500A) removed outlier: 6.820A pdb=" N SER l 321 " --> pdb=" O ALA l 274 " (cutoff:3.500A) removed outlier: 6.258A pdb=" N ALA l 276 " --> pdb=" O LEU l 319 " (cutoff:3.500A) removed outlier: 6.305A pdb=" N LEU l 319 " --> pdb=" O ALA l 276 " (cutoff:3.500A) Processing sheet with id=135, first strand: chain 'l' and resid 101 through 104 No H-bonds generated for sheet with id=135 Processing sheet with id=136, first strand: chain 'l' and resid 135 through 138 removed outlier: 5.295A pdb=" N GLY l 168 " --> pdb=" O GLN l 138 " (cutoff:3.500A) Processing sheet with id=137, first strand: chain 'm' and resid 33 through 40 removed outlier: 4.430A pdb=" N SER m 92 " --> pdb=" O ASP m 104 " (cutoff:3.500A) removed outlier: 6.208A pdb=" N ASP m 104 " --> pdb=" O SER m 92 " (cutoff:3.500A) removed outlier: 7.996A pdb=" N ASN m 161 " --> pdb=" O SER m 109 " (cutoff:3.500A) Processing sheet with id=138, first strand: chain 'm' and resid 117 through 122 removed outlier: 7.143A pdb=" N ARG m 117 " --> pdb=" O VAL m 143 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N VAL m 143 " --> pdb=" O ARG m 117 " (cutoff:3.500A) removed outlier: 4.775A pdb=" N GLY m 119 " --> pdb=" O ILE m 141 " (cutoff:3.500A) Processing sheet with id=139, first strand: chain 'm' and resid 183 through 189 removed outlier: 4.846A pdb=" N ASN m 183 " --> pdb=" O VAL m 225 " (cutoff:3.500A) removed outlier: 5.984A pdb=" N ARG m 219 " --> pdb=" O LEU m 189 " (cutoff:3.500A) removed outlier: 6.430A pdb=" N THR m 220 " --> pdb=" O LEU m 216 " (cutoff:3.500A) removed outlier: 6.378A pdb=" N SER m 212 " --> pdb=" O ARG m 224 " (cutoff:3.500A) Processing sheet with id=140, first strand: chain 'm' and resid 260 through 264 removed outlier: 6.445A pdb=" N SER m 261 " --> pdb=" O ASN m 256 " (cutoff:3.500A) removed outlier: 6.873A pdb=" N SER m 257 " --> pdb=" O ILE m 365 " (cutoff:3.500A) Processing sheet with id=141, first strand: chain 'm' and resid 269 through 276 removed outlier: 5.006A pdb=" N SER m 272 " --> pdb=" O ARG m 323 " (cutoff:3.500A) removed outlier: 7.130A pdb=" N ARG m 323 " --> pdb=" O SER m 272 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N ALA m 274 " --> pdb=" O SER m 321 " (cutoff:3.500A) removed outlier: 6.820A pdb=" N SER m 321 " --> pdb=" O ALA m 274 " (cutoff:3.500A) removed outlier: 6.257A pdb=" N ALA m 276 " --> pdb=" O LEU m 319 " (cutoff:3.500A) removed outlier: 6.305A pdb=" N LEU m 319 " --> pdb=" O ALA m 276 " (cutoff:3.500A) Processing sheet with id=142, first strand: chain 'm' and resid 101 through 104 No H-bonds generated for sheet with id=142 Processing sheet with id=143, first strand: chain 'm' and resid 135 through 138 removed outlier: 5.295A pdb=" N GLY m 168 " --> pdb=" O GLN m 138 " (cutoff:3.500A) Processing sheet with id=144, first strand: chain 'n' and resid 33 through 40 removed outlier: 4.430A pdb=" N SER n 92 " --> pdb=" O ASP n 104 " (cutoff:3.500A) removed outlier: 6.207A pdb=" N ASP n 104 " --> pdb=" O SER n 92 " (cutoff:3.500A) removed outlier: 7.997A pdb=" N ASN n 161 " --> pdb=" O SER n 109 " (cutoff:3.500A) Processing sheet with id=145, first strand: chain 'n' and resid 117 through 122 removed outlier: 7.143A pdb=" N ARG n 117 " --> pdb=" O VAL n 143 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N VAL n 143 " --> pdb=" O ARG n 117 " (cutoff:3.500A) removed outlier: 4.775A pdb=" N GLY n 119 " --> pdb=" O ILE n 141 " (cutoff:3.500A) Processing sheet with id=146, first strand: chain 'n' and resid 183 through 189 removed outlier: 4.845A pdb=" N ASN n 183 " --> pdb=" O VAL n 225 " (cutoff:3.500A) removed outlier: 5.985A pdb=" N ARG n 219 " --> pdb=" O LEU n 189 " (cutoff:3.500A) removed outlier: 6.430A pdb=" N THR n 220 " --> pdb=" O LEU n 216 " (cutoff:3.500A) removed outlier: 6.378A pdb=" N SER n 212 " --> pdb=" O ARG n 224 " (cutoff:3.500A) Processing sheet with id=147, first strand: chain 'n' and resid 260 through 264 removed outlier: 6.445A pdb=" N SER n 261 " --> pdb=" O ASN n 256 " (cutoff:3.500A) removed outlier: 6.874A pdb=" N SER n 257 " --> pdb=" O ILE n 365 " (cutoff:3.500A) Processing sheet with id=148, first strand: chain 'n' and resid 269 through 276 removed outlier: 5.007A pdb=" N SER n 272 " --> pdb=" O ARG n 323 " (cutoff:3.500A) removed outlier: 7.130A pdb=" N ARG n 323 " --> pdb=" O SER n 272 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N ALA n 274 " --> pdb=" O SER n 321 " (cutoff:3.500A) removed outlier: 6.821A pdb=" N SER n 321 " --> pdb=" O ALA n 274 " (cutoff:3.500A) removed outlier: 6.257A pdb=" N ALA n 276 " --> pdb=" O LEU n 319 " (cutoff:3.500A) removed outlier: 6.304A pdb=" N LEU n 319 " --> pdb=" O ALA n 276 " (cutoff:3.500A) Processing sheet with id=149, first strand: chain 'n' and resid 101 through 104 No H-bonds generated for sheet with id=149 Processing sheet with id=150, first strand: chain 'n' and resid 135 through 138 removed outlier: 5.296A pdb=" N GLY n 168 " --> pdb=" O GLN n 138 " (cutoff:3.500A) Processing sheet with id=151, first strand: chain 'o' and resid 33 through 40 removed outlier: 4.430A pdb=" N SER o 92 " --> pdb=" O ASP o 104 " (cutoff:3.500A) removed outlier: 6.208A pdb=" N ASP o 104 " --> pdb=" O SER o 92 " (cutoff:3.500A) removed outlier: 7.996A pdb=" N ASN o 161 " --> pdb=" O SER o 109 " (cutoff:3.500A) Processing sheet with id=152, first strand: chain 'o' and resid 117 through 122 removed outlier: 7.143A pdb=" N ARG o 117 " --> pdb=" O VAL o 143 " (cutoff:3.500A) removed outlier: 4.330A pdb=" N VAL o 143 " --> pdb=" O ARG o 117 " (cutoff:3.500A) removed outlier: 4.775A pdb=" N GLY o 119 " --> pdb=" O ILE o 141 " (cutoff:3.500A) Processing sheet with id=153, first strand: chain 'o' and resid 183 through 189 removed outlier: 4.846A pdb=" N ASN o 183 " --> pdb=" O VAL o 225 " (cutoff:3.500A) removed outlier: 5.984A pdb=" N ARG o 219 " --> pdb=" O LEU o 189 " (cutoff:3.500A) removed outlier: 6.430A pdb=" N THR o 220 " --> pdb=" O LEU o 216 " (cutoff:3.500A) removed outlier: 6.379A pdb=" N SER o 212 " --> pdb=" O ARG o 224 " (cutoff:3.500A) Processing sheet with id=154, first strand: chain 'o' and resid 260 through 264 removed outlier: 6.445A pdb=" N SER o 261 " --> pdb=" O ASN o 256 " (cutoff:3.500A) removed outlier: 6.874A pdb=" N SER o 257 " --> pdb=" O ILE o 365 " (cutoff:3.500A) Processing sheet with id=155, first strand: chain 'o' and resid 269 through 276 removed outlier: 5.006A pdb=" N SER o 272 " --> pdb=" O ARG o 323 " (cutoff:3.500A) removed outlier: 7.129A pdb=" N ARG o 323 " --> pdb=" O SER o 272 " (cutoff:3.500A) removed outlier: 6.573A pdb=" N ALA o 274 " --> pdb=" O SER o 321 " (cutoff:3.500A) removed outlier: 6.821A pdb=" N SER o 321 " --> pdb=" O ALA o 274 " (cutoff:3.500A) removed outlier: 6.257A pdb=" N ALA o 276 " --> pdb=" O LEU o 319 " (cutoff:3.500A) removed outlier: 6.304A pdb=" N LEU o 319 " --> pdb=" O ALA o 276 " (cutoff:3.500A) Processing sheet with id=156, first strand: chain 'o' and resid 101 through 104 No H-bonds generated for sheet with id=156 Processing sheet with id=157, first strand: chain 'o' and resid 135 through 138 removed outlier: 5.296A pdb=" N GLY o 168 " --> pdb=" O GLN o 138 " (cutoff:3.500A) Processing sheet with id=158, first strand: chain 'p' and resid 33 through 40 removed outlier: 4.431A pdb=" N SER p 92 " --> pdb=" O ASP p 104 " (cutoff:3.500A) removed outlier: 6.208A pdb=" N ASP p 104 " --> pdb=" O SER p 92 " (cutoff:3.500A) removed outlier: 7.996A pdb=" N ASN p 161 " --> pdb=" O SER p 109 " (cutoff:3.500A) Processing sheet with id=159, first strand: chain 'p' and resid 117 through 122 removed outlier: 7.143A pdb=" N ARG p 117 " --> pdb=" O VAL p 143 " (cutoff:3.500A) removed outlier: 4.330A pdb=" N VAL p 143 " --> pdb=" O ARG p 117 " (cutoff:3.500A) removed outlier: 4.775A pdb=" N GLY p 119 " --> pdb=" O ILE p 141 " (cutoff:3.500A) Processing sheet with id=160, first strand: chain 'p' and resid 183 through 189 removed outlier: 4.846A pdb=" N ASN p 183 " --> pdb=" O VAL p 225 " (cutoff:3.500A) removed outlier: 5.985A pdb=" N ARG p 219 " --> pdb=" O LEU p 189 " (cutoff:3.500A) removed outlier: 6.430A pdb=" N THR p 220 " --> pdb=" O LEU p 216 " (cutoff:3.500A) removed outlier: 6.378A pdb=" N SER p 212 " --> pdb=" O ARG p 224 " (cutoff:3.500A) Processing sheet with id=161, first strand: chain 'p' and resid 260 through 264 removed outlier: 6.444A pdb=" N SER p 261 " --> pdb=" O ASN p 256 " (cutoff:3.500A) removed outlier: 6.874A pdb=" N SER p 257 " --> pdb=" O ILE p 365 " (cutoff:3.500A) Processing sheet with id=162, first strand: chain 'p' and resid 269 through 276 removed outlier: 5.006A pdb=" N SER p 272 " --> pdb=" O ARG p 323 " (cutoff:3.500A) removed outlier: 7.129A pdb=" N ARG p 323 " --> pdb=" O SER p 272 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N ALA p 274 " --> pdb=" O SER p 321 " (cutoff:3.500A) removed outlier: 6.820A pdb=" N SER p 321 " --> pdb=" O ALA p 274 " (cutoff:3.500A) removed outlier: 6.257A pdb=" N ALA p 276 " --> pdb=" O LEU p 319 " (cutoff:3.500A) removed outlier: 6.304A pdb=" N LEU p 319 " --> pdb=" O ALA p 276 " (cutoff:3.500A) Processing sheet with id=163, first strand: chain 'p' and resid 101 through 104 No H-bonds generated for sheet with id=163 Processing sheet with id=164, first strand: chain 'p' and resid 135 through 138 removed outlier: 5.295A pdb=" N GLY p 168 " --> pdb=" O GLN p 138 " (cutoff:3.500A) Processing sheet with id=165, first strand: chain 'q' and resid 33 through 40 removed outlier: 4.430A pdb=" N SER q 92 " --> pdb=" O ASP q 104 " (cutoff:3.500A) removed outlier: 6.209A pdb=" N ASP q 104 " --> pdb=" O SER q 92 " (cutoff:3.500A) removed outlier: 7.996A pdb=" N ASN q 161 " --> pdb=" O SER q 109 " (cutoff:3.500A) Processing sheet with id=166, first strand: chain 'q' and resid 117 through 122 removed outlier: 7.143A pdb=" N ARG q 117 " --> pdb=" O VAL q 143 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N VAL q 143 " --> pdb=" O ARG q 117 " (cutoff:3.500A) removed outlier: 4.775A pdb=" N GLY q 119 " --> pdb=" O ILE q 141 " (cutoff:3.500A) Processing sheet with id=167, first strand: chain 'q' and resid 183 through 189 removed outlier: 4.845A pdb=" N ASN q 183 " --> pdb=" O VAL q 225 " (cutoff:3.500A) removed outlier: 5.985A pdb=" N ARG q 219 " --> pdb=" O LEU q 189 " (cutoff:3.500A) removed outlier: 6.429A pdb=" N THR q 220 " --> pdb=" O LEU q 216 " (cutoff:3.500A) removed outlier: 6.379A pdb=" N SER q 212 " --> pdb=" O ARG q 224 " (cutoff:3.500A) Processing sheet with id=168, first strand: chain 'q' and resid 260 through 264 removed outlier: 6.444A pdb=" N SER q 261 " --> pdb=" O ASN q 256 " (cutoff:3.500A) removed outlier: 6.874A pdb=" N SER q 257 " --> pdb=" O ILE q 365 " (cutoff:3.500A) Processing sheet with id=169, first strand: chain 'q' and resid 269 through 276 removed outlier: 5.006A pdb=" N SER q 272 " --> pdb=" O ARG q 323 " (cutoff:3.500A) removed outlier: 7.130A pdb=" N ARG q 323 " --> pdb=" O SER q 272 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N ALA q 274 " --> pdb=" O SER q 321 " (cutoff:3.500A) removed outlier: 6.820A pdb=" N SER q 321 " --> pdb=" O ALA q 274 " (cutoff:3.500A) removed outlier: 6.257A pdb=" N ALA q 276 " --> pdb=" O LEU q 319 " (cutoff:3.500A) removed outlier: 6.304A pdb=" N LEU q 319 " --> pdb=" O ALA q 276 " (cutoff:3.500A) Processing sheet with id=170, first strand: chain 'q' and resid 101 through 104 No H-bonds generated for sheet with id=170 Processing sheet with id=171, first strand: chain 'q' and resid 135 through 138 removed outlier: 5.295A pdb=" N GLY q 168 " --> pdb=" O GLN q 138 " (cutoff:3.500A) Processing sheet with id=172, first strand: chain 'r' and resid 33 through 40 removed outlier: 4.431A pdb=" N SER r 92 " --> pdb=" O ASP r 104 " (cutoff:3.500A) removed outlier: 6.208A pdb=" N ASP r 104 " --> pdb=" O SER r 92 " (cutoff:3.500A) removed outlier: 7.996A pdb=" N ASN r 161 " --> pdb=" O SER r 109 " (cutoff:3.500A) Processing sheet with id=173, first strand: chain 'r' and resid 117 through 122 removed outlier: 7.143A pdb=" N ARG r 117 " --> pdb=" O VAL r 143 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N VAL r 143 " --> pdb=" O ARG r 117 " (cutoff:3.500A) removed outlier: 4.775A pdb=" N GLY r 119 " --> pdb=" O ILE r 141 " (cutoff:3.500A) Processing sheet with id=174, first strand: chain 'r' and resid 183 through 189 removed outlier: 4.845A pdb=" N ASN r 183 " --> pdb=" O VAL r 225 " (cutoff:3.500A) removed outlier: 5.985A pdb=" N ARG r 219 " --> pdb=" O LEU r 189 " (cutoff:3.500A) removed outlier: 6.430A pdb=" N THR r 220 " --> pdb=" O LEU r 216 " (cutoff:3.500A) removed outlier: 6.379A pdb=" N SER r 212 " --> pdb=" O ARG r 224 " (cutoff:3.500A) Processing sheet with id=175, first strand: chain 'r' and resid 260 through 264 removed outlier: 6.444A pdb=" N SER r 261 " --> pdb=" O ASN r 256 " (cutoff:3.500A) removed outlier: 6.874A pdb=" N SER r 257 " --> pdb=" O ILE r 365 " (cutoff:3.500A) Processing sheet with id=176, first strand: chain 'r' and resid 269 through 276 removed outlier: 5.007A pdb=" N SER r 272 " --> pdb=" O ARG r 323 " (cutoff:3.500A) removed outlier: 7.129A pdb=" N ARG r 323 " --> pdb=" O SER r 272 " (cutoff:3.500A) removed outlier: 6.573A pdb=" N ALA r 274 " --> pdb=" O SER r 321 " (cutoff:3.500A) removed outlier: 6.821A pdb=" N SER r 321 " --> pdb=" O ALA r 274 " (cutoff:3.500A) removed outlier: 6.257A pdb=" N ALA r 276 " --> pdb=" O LEU r 319 " (cutoff:3.500A) removed outlier: 6.305A pdb=" N LEU r 319 " --> pdb=" O ALA r 276 " (cutoff:3.500A) Processing sheet with id=177, first strand: chain 'r' and resid 101 through 104 No H-bonds generated for sheet with id=177 Processing sheet with id=178, first strand: chain 'r' and resid 135 through 138 removed outlier: 5.295A pdb=" N GLY r 168 " --> pdb=" O GLN r 138 " (cutoff:3.500A) Processing sheet with id=179, first strand: chain 's' and resid 33 through 40 removed outlier: 4.430A pdb=" N SER s 92 " --> pdb=" O ASP s 104 " (cutoff:3.500A) removed outlier: 6.208A pdb=" N ASP s 104 " --> pdb=" O SER s 92 " (cutoff:3.500A) removed outlier: 7.996A pdb=" N ASN s 161 " --> pdb=" O SER s 109 " (cutoff:3.500A) Processing sheet with id=180, first strand: chain 's' and resid 117 through 122 removed outlier: 7.143A pdb=" N ARG s 117 " --> pdb=" O VAL s 143 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N VAL s 143 " --> pdb=" O ARG s 117 " (cutoff:3.500A) removed outlier: 4.775A pdb=" N GLY s 119 " --> pdb=" O ILE s 141 " (cutoff:3.500A) Processing sheet with id=181, first strand: chain 's' and resid 183 through 189 removed outlier: 4.846A pdb=" N ASN s 183 " --> pdb=" O VAL s 225 " (cutoff:3.500A) removed outlier: 5.985A pdb=" N ARG s 219 " --> pdb=" O LEU s 189 " (cutoff:3.500A) removed outlier: 6.430A pdb=" N THR s 220 " --> pdb=" O LEU s 216 " (cutoff:3.500A) removed outlier: 6.378A pdb=" N SER s 212 " --> pdb=" O ARG s 224 " (cutoff:3.500A) Processing sheet with id=182, first strand: chain 's' and resid 260 through 264 removed outlier: 6.444A pdb=" N SER s 261 " --> pdb=" O ASN s 256 " (cutoff:3.500A) removed outlier: 6.874A pdb=" N SER s 257 " --> pdb=" O ILE s 365 " (cutoff:3.500A) Processing sheet with id=183, first strand: chain 's' and resid 269 through 276 removed outlier: 5.006A pdb=" N SER s 272 " --> pdb=" O ARG s 323 " (cutoff:3.500A) removed outlier: 7.129A pdb=" N ARG s 323 " --> pdb=" O SER s 272 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N ALA s 274 " --> pdb=" O SER s 321 " (cutoff:3.500A) removed outlier: 6.820A pdb=" N SER s 321 " --> pdb=" O ALA s 274 " (cutoff:3.500A) removed outlier: 6.257A pdb=" N ALA s 276 " --> pdb=" O LEU s 319 " (cutoff:3.500A) removed outlier: 6.305A pdb=" N LEU s 319 " --> pdb=" O ALA s 276 " (cutoff:3.500A) Processing sheet with id=184, first strand: chain 's' and resid 101 through 104 No H-bonds generated for sheet with id=184 Processing sheet with id=185, first strand: chain 's' and resid 135 through 138 removed outlier: 5.296A pdb=" N GLY s 168 " --> pdb=" O GLN s 138 " (cutoff:3.500A) Processing sheet with id=186, first strand: chain 't' and resid 33 through 40 removed outlier: 4.430A pdb=" N SER t 92 " --> pdb=" O ASP t 104 " (cutoff:3.500A) removed outlier: 6.208A pdb=" N ASP t 104 " --> pdb=" O SER t 92 " (cutoff:3.500A) removed outlier: 7.997A pdb=" N ASN t 161 " --> pdb=" O SER t 109 " (cutoff:3.500A) Processing sheet with id=187, first strand: chain 't' and resid 117 through 122 removed outlier: 7.144A pdb=" N ARG t 117 " --> pdb=" O VAL t 143 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N VAL t 143 " --> pdb=" O ARG t 117 " (cutoff:3.500A) removed outlier: 4.774A pdb=" N GLY t 119 " --> pdb=" O ILE t 141 " (cutoff:3.500A) Processing sheet with id=188, first strand: chain 't' and resid 183 through 189 removed outlier: 4.845A pdb=" N ASN t 183 " --> pdb=" O VAL t 225 " (cutoff:3.500A) removed outlier: 5.985A pdb=" N ARG t 219 " --> pdb=" O LEU t 189 " (cutoff:3.500A) removed outlier: 6.430A pdb=" N THR t 220 " --> pdb=" O LEU t 216 " (cutoff:3.500A) removed outlier: 6.378A pdb=" N SER t 212 " --> pdb=" O ARG t 224 " (cutoff:3.500A) Processing sheet with id=189, first strand: chain 't' and resid 260 through 264 removed outlier: 6.445A pdb=" N SER t 261 " --> pdb=" O ASN t 256 " (cutoff:3.500A) removed outlier: 6.874A pdb=" N SER t 257 " --> pdb=" O ILE t 365 " (cutoff:3.500A) Processing sheet with id=190, first strand: chain 't' and resid 269 through 276 removed outlier: 5.007A pdb=" N SER t 272 " --> pdb=" O ARG t 323 " (cutoff:3.500A) removed outlier: 7.130A pdb=" N ARG t 323 " --> pdb=" O SER t 272 " (cutoff:3.500A) removed outlier: 6.573A pdb=" N ALA t 274 " --> pdb=" O SER t 321 " (cutoff:3.500A) removed outlier: 6.820A pdb=" N SER t 321 " --> pdb=" O ALA t 274 " (cutoff:3.500A) removed outlier: 6.256A pdb=" N ALA t 276 " --> pdb=" O LEU t 319 " (cutoff:3.500A) removed outlier: 6.305A pdb=" N LEU t 319 " --> pdb=" O ALA t 276 " (cutoff:3.500A) Processing sheet with id=191, first strand: chain 't' and resid 101 through 104 No H-bonds generated for sheet with id=191 Processing sheet with id=192, first strand: chain 't' and resid 135 through 138 removed outlier: 5.296A pdb=" N GLY t 168 " --> pdb=" O GLN t 138 " (cutoff:3.500A) Processing sheet with id=193, first strand: chain 'u' and resid 33 through 40 removed outlier: 4.430A pdb=" N SER u 92 " --> pdb=" O ASP u 104 " (cutoff:3.500A) removed outlier: 6.208A pdb=" N ASP u 104 " --> pdb=" O SER u 92 " (cutoff:3.500A) removed outlier: 7.997A pdb=" N ASN u 161 " --> pdb=" O SER u 109 " (cutoff:3.500A) Processing sheet with id=194, first strand: chain 'u' and resid 117 through 122 removed outlier: 7.143A pdb=" N ARG u 117 " --> pdb=" O VAL u 143 " (cutoff:3.500A) removed outlier: 4.330A pdb=" N VAL u 143 " --> pdb=" O ARG u 117 " (cutoff:3.500A) removed outlier: 4.775A pdb=" N GLY u 119 " --> pdb=" O ILE u 141 " (cutoff:3.500A) Processing sheet with id=195, first strand: chain 'u' and resid 183 through 189 removed outlier: 4.846A pdb=" N ASN u 183 " --> pdb=" O VAL u 225 " (cutoff:3.500A) removed outlier: 5.984A pdb=" N ARG u 219 " --> pdb=" O LEU u 189 " (cutoff:3.500A) removed outlier: 6.430A pdb=" N THR u 220 " --> pdb=" O LEU u 216 " (cutoff:3.500A) removed outlier: 6.378A pdb=" N SER u 212 " --> pdb=" O ARG u 224 " (cutoff:3.500A) Processing sheet with id=196, first strand: chain 'u' and resid 260 through 264 removed outlier: 6.445A pdb=" N SER u 261 " --> pdb=" O ASN u 256 " (cutoff:3.500A) removed outlier: 6.874A pdb=" N SER u 257 " --> pdb=" O ILE u 365 " (cutoff:3.500A) Processing sheet with id=197, first strand: chain 'u' and resid 269 through 276 removed outlier: 5.007A pdb=" N SER u 272 " --> pdb=" O ARG u 323 " (cutoff:3.500A) removed outlier: 7.130A pdb=" N ARG u 323 " --> pdb=" O SER u 272 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N ALA u 274 " --> pdb=" O SER u 321 " (cutoff:3.500A) removed outlier: 6.821A pdb=" N SER u 321 " --> pdb=" O ALA u 274 " (cutoff:3.500A) removed outlier: 6.258A pdb=" N ALA u 276 " --> pdb=" O LEU u 319 " (cutoff:3.500A) removed outlier: 6.305A pdb=" N LEU u 319 " --> pdb=" O ALA u 276 " (cutoff:3.500A) Processing sheet with id=198, first strand: chain 'u' and resid 101 through 104 No H-bonds generated for sheet with id=198 Processing sheet with id=199, first strand: chain 'u' and resid 135 through 138 removed outlier: 5.295A pdb=" N GLY u 168 " --> pdb=" O GLN u 138 " (cutoff:3.500A) Processing sheet with id=200, first strand: chain 'v' and resid 33 through 40 removed outlier: 4.431A pdb=" N SER v 92 " --> pdb=" O ASP v 104 " (cutoff:3.500A) removed outlier: 6.208A pdb=" N ASP v 104 " --> pdb=" O SER v 92 " (cutoff:3.500A) removed outlier: 7.995A pdb=" N ASN v 161 " --> pdb=" O SER v 109 " (cutoff:3.500A) Processing sheet with id=201, first strand: chain 'v' and resid 117 through 122 removed outlier: 7.144A pdb=" N ARG v 117 " --> pdb=" O VAL v 143 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N VAL v 143 " --> pdb=" O ARG v 117 " (cutoff:3.500A) removed outlier: 4.775A pdb=" N GLY v 119 " --> pdb=" O ILE v 141 " (cutoff:3.500A) Processing sheet with id=202, first strand: chain 'v' and resid 183 through 189 removed outlier: 4.846A pdb=" N ASN v 183 " --> pdb=" O VAL v 225 " (cutoff:3.500A) removed outlier: 5.984A pdb=" N ARG v 219 " --> pdb=" O LEU v 189 " (cutoff:3.500A) removed outlier: 6.429A pdb=" N THR v 220 " --> pdb=" O LEU v 216 " (cutoff:3.500A) removed outlier: 6.379A pdb=" N SER v 212 " --> pdb=" O ARG v 224 " (cutoff:3.500A) Processing sheet with id=203, first strand: chain 'v' and resid 260 through 264 removed outlier: 6.445A pdb=" N SER v 261 " --> pdb=" O ASN v 256 " (cutoff:3.500A) removed outlier: 6.874A pdb=" N SER v 257 " --> pdb=" O ILE v 365 " (cutoff:3.500A) Processing sheet with id=204, first strand: chain 'v' and resid 269 through 276 removed outlier: 5.007A pdb=" N SER v 272 " --> pdb=" O ARG v 323 " (cutoff:3.500A) removed outlier: 7.130A pdb=" N ARG v 323 " --> pdb=" O SER v 272 " (cutoff:3.500A) removed outlier: 6.573A pdb=" N ALA v 274 " --> pdb=" O SER v 321 " (cutoff:3.500A) removed outlier: 6.820A pdb=" N SER v 321 " --> pdb=" O ALA v 274 " (cutoff:3.500A) removed outlier: 6.258A pdb=" N ALA v 276 " --> pdb=" O LEU v 319 " (cutoff:3.500A) removed outlier: 6.305A pdb=" N LEU v 319 " --> pdb=" O ALA v 276 " (cutoff:3.500A) Processing sheet with id=205, first strand: chain 'v' and resid 101 through 104 No H-bonds generated for sheet with id=205 Processing sheet with id=206, first strand: chain 'v' and resid 135 through 138 removed outlier: 5.295A pdb=" N GLY v 168 " --> pdb=" O GLN v 138 " (cutoff:3.500A) Processing sheet with id=207, first strand: chain 'w' and resid 33 through 40 removed outlier: 4.431A pdb=" N SER w 92 " --> pdb=" O ASP w 104 " (cutoff:3.500A) removed outlier: 6.208A pdb=" N ASP w 104 " --> pdb=" O SER w 92 " (cutoff:3.500A) removed outlier: 7.997A pdb=" N ASN w 161 " --> pdb=" O SER w 109 " (cutoff:3.500A) Processing sheet with id=208, first strand: chain 'w' and resid 117 through 122 removed outlier: 7.143A pdb=" N ARG w 117 " --> pdb=" O VAL w 143 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N VAL w 143 " --> pdb=" O ARG w 117 " (cutoff:3.500A) removed outlier: 4.774A pdb=" N GLY w 119 " --> pdb=" O ILE w 141 " (cutoff:3.500A) Processing sheet with id=209, first strand: chain 'w' and resid 183 through 189 removed outlier: 4.846A pdb=" N ASN w 183 " --> pdb=" O VAL w 225 " (cutoff:3.500A) removed outlier: 5.985A pdb=" N ARG w 219 " --> pdb=" O LEU w 189 " (cutoff:3.500A) removed outlier: 6.430A pdb=" N THR w 220 " --> pdb=" O LEU w 216 " (cutoff:3.500A) removed outlier: 6.378A pdb=" N SER w 212 " --> pdb=" O ARG w 224 " (cutoff:3.500A) Processing sheet with id=210, first strand: chain 'w' and resid 260 through 264 removed outlier: 6.445A pdb=" N SER w 261 " --> pdb=" O ASN w 256 " (cutoff:3.500A) removed outlier: 6.874A pdb=" N SER w 257 " --> pdb=" O ILE w 365 " (cutoff:3.500A) Processing sheet with id=211, first strand: chain 'w' and resid 269 through 276 removed outlier: 5.007A pdb=" N SER w 272 " --> pdb=" O ARG w 323 " (cutoff:3.500A) removed outlier: 7.130A pdb=" N ARG w 323 " --> pdb=" O SER w 272 " (cutoff:3.500A) removed outlier: 6.574A pdb=" N ALA w 274 " --> pdb=" O SER w 321 " (cutoff:3.500A) removed outlier: 6.820A pdb=" N SER w 321 " --> pdb=" O ALA w 274 " (cutoff:3.500A) removed outlier: 6.257A pdb=" N ALA w 276 " --> pdb=" O LEU w 319 " (cutoff:3.500A) removed outlier: 6.305A pdb=" N LEU w 319 " --> pdb=" O ALA w 276 " (cutoff:3.500A) Processing sheet with id=212, first strand: chain 'w' and resid 101 through 104 No H-bonds generated for sheet with id=212 Processing sheet with id=213, first strand: chain 'w' and resid 135 through 138 removed outlier: 5.296A pdb=" N GLY w 168 " --> pdb=" O GLN w 138 " (cutoff:3.500A) Processing sheet with id=214, first strand: chain 'x' and resid 33 through 40 removed outlier: 4.430A pdb=" N SER x 92 " --> pdb=" O ASP x 104 " (cutoff:3.500A) removed outlier: 6.208A pdb=" N ASP x 104 " --> pdb=" O SER x 92 " (cutoff:3.500A) removed outlier: 7.996A pdb=" N ASN x 161 " --> pdb=" O SER x 109 " (cutoff:3.500A) Processing sheet with id=215, first strand: chain 'x' and resid 117 through 122 removed outlier: 7.143A pdb=" N ARG x 117 " --> pdb=" O VAL x 143 " (cutoff:3.500A) removed outlier: 4.332A pdb=" N VAL x 143 " --> pdb=" O ARG x 117 " (cutoff:3.500A) removed outlier: 4.775A pdb=" N GLY x 119 " --> pdb=" O ILE x 141 " (cutoff:3.500A) Processing sheet with id=216, first strand: chain 'x' and resid 183 through 189 removed outlier: 4.846A pdb=" N ASN x 183 " --> pdb=" O VAL x 225 " (cutoff:3.500A) removed outlier: 5.984A pdb=" N ARG x 219 " --> pdb=" O LEU x 189 " (cutoff:3.500A) removed outlier: 6.431A pdb=" N THR x 220 " --> pdb=" O LEU x 216 " (cutoff:3.500A) removed outlier: 6.378A pdb=" N SER x 212 " --> pdb=" O ARG x 224 " (cutoff:3.500A) Processing sheet with id=217, first strand: chain 'x' and resid 260 through 264 removed outlier: 6.445A pdb=" N SER x 261 " --> pdb=" O ASN x 256 " (cutoff:3.500A) removed outlier: 6.874A pdb=" N SER x 257 " --> pdb=" O ILE x 365 " (cutoff:3.500A) Processing sheet with id=218, first strand: chain 'x' and resid 269 through 276 removed outlier: 5.007A pdb=" N SER x 272 " --> pdb=" O ARG x 323 " (cutoff:3.500A) removed outlier: 7.130A pdb=" N ARG x 323 " --> pdb=" O SER x 272 " (cutoff:3.500A) removed outlier: 6.573A pdb=" N ALA x 274 " --> pdb=" O SER x 321 " (cutoff:3.500A) removed outlier: 6.821A pdb=" N SER x 321 " --> pdb=" O ALA x 274 " (cutoff:3.500A) removed outlier: 6.257A pdb=" N ALA x 276 " --> pdb=" O LEU x 319 " (cutoff:3.500A) removed outlier: 6.305A pdb=" N LEU x 319 " --> pdb=" O ALA x 276 " (cutoff:3.500A) Processing sheet with id=219, first strand: chain 'x' and resid 101 through 104 No H-bonds generated for sheet with id=219 Processing sheet with id=220, first strand: chain 'x' and resid 135 through 138 removed outlier: 5.296A pdb=" N GLY x 168 " --> pdb=" O GLN x 138 " (cutoff:3.500A) Processing sheet with id=221, first strand: chain 'y' and resid 33 through 40 removed outlier: 4.431A pdb=" N SER y 92 " --> pdb=" O ASP y 104 " (cutoff:3.500A) removed outlier: 6.208A pdb=" N ASP y 104 " --> pdb=" O SER y 92 " (cutoff:3.500A) removed outlier: 7.997A pdb=" N ASN y 161 " --> pdb=" O SER y 109 " (cutoff:3.500A) Processing sheet with id=222, first strand: chain 'y' and resid 117 through 122 removed outlier: 7.144A pdb=" N ARG y 117 " --> pdb=" O VAL y 143 " (cutoff:3.500A) removed outlier: 4.331A pdb=" N VAL y 143 " --> pdb=" O ARG y 117 " (cutoff:3.500A) removed outlier: 4.774A pdb=" N GLY y 119 " --> pdb=" O ILE y 141 " (cutoff:3.500A) Processing sheet with id=223, first strand: chain 'y' and resid 183 through 189 removed outlier: 4.846A pdb=" N ASN y 183 " --> pdb=" O VAL y 225 " (cutoff:3.500A) removed outlier: 5.984A pdb=" N ARG y 219 " --> pdb=" O LEU y 189 " (cutoff:3.500A) removed outlier: 6.431A pdb=" N THR y 220 " --> pdb=" O LEU y 216 " (cutoff:3.500A) removed outlier: 6.378A pdb=" N SER y 212 " --> pdb=" O ARG y 224 " (cutoff:3.500A) Processing sheet with id=224, first strand: chain 'y' and resid 260 through 264 removed outlier: 6.444A pdb=" N SER y 261 " --> pdb=" O ASN y 256 " (cutoff:3.500A) removed outlier: 6.874A pdb=" N SER y 257 " --> pdb=" O ILE y 365 " (cutoff:3.500A) Processing sheet with id=225, first strand: chain 'y' and resid 269 through 276 removed outlier: 5.007A pdb=" N SER y 272 " --> pdb=" O ARG y 323 " (cutoff:3.500A) removed outlier: 7.130A pdb=" N ARG y 323 " --> pdb=" O SER y 272 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N ALA y 274 " --> pdb=" O SER y 321 " (cutoff:3.500A) removed outlier: 6.821A pdb=" N SER y 321 " --> pdb=" O ALA y 274 " (cutoff:3.500A) removed outlier: 6.257A pdb=" N ALA y 276 " --> pdb=" O LEU y 319 " (cutoff:3.500A) removed outlier: 6.304A pdb=" N LEU y 319 " --> pdb=" O ALA y 276 " (cutoff:3.500A) Processing sheet with id=226, first strand: chain 'y' and resid 101 through 104 No H-bonds generated for sheet with id=226 Processing sheet with id=227, first strand: chain 'y' and resid 135 through 138 removed outlier: 5.296A pdb=" N GLY y 168 " --> pdb=" O GLN y 138 " (cutoff:3.500A) Processing sheet with id=228, first strand: chain 'z' and resid 33 through 40 removed outlier: 4.431A pdb=" N SER z 92 " --> pdb=" O ASP z 104 " (cutoff:3.500A) removed outlier: 6.208A pdb=" N ASP z 104 " --> pdb=" O SER z 92 " (cutoff:3.500A) removed outlier: 7.996A pdb=" N ASN z 161 " --> pdb=" O SER z 109 " (cutoff:3.500A) Processing sheet with id=229, first strand: chain 'z' and resid 117 through 122 removed outlier: 7.143A pdb=" N ARG z 117 " --> pdb=" O VAL z 143 " (cutoff:3.500A) removed outlier: 4.332A pdb=" N VAL z 143 " --> pdb=" O ARG z 117 " (cutoff:3.500A) removed outlier: 4.775A pdb=" N GLY z 119 " --> pdb=" O ILE z 141 " (cutoff:3.500A) Processing sheet with id=230, first strand: chain 'z' and resid 183 through 189 removed outlier: 4.845A pdb=" N ASN z 183 " --> pdb=" O VAL z 225 " (cutoff:3.500A) removed outlier: 5.984A pdb=" N ARG z 219 " --> pdb=" O LEU z 189 " (cutoff:3.500A) removed outlier: 6.430A pdb=" N THR z 220 " --> pdb=" O LEU z 216 " (cutoff:3.500A) removed outlier: 6.378A pdb=" N SER z 212 " --> pdb=" O ARG z 224 " (cutoff:3.500A) Processing sheet with id=231, first strand: chain 'z' and resid 260 through 264 removed outlier: 6.445A pdb=" N SER z 261 " --> pdb=" O ASN z 256 " (cutoff:3.500A) removed outlier: 6.874A pdb=" N SER z 257 " --> pdb=" O ILE z 365 " (cutoff:3.500A) Processing sheet with id=232, first strand: chain 'z' and resid 269 through 276 removed outlier: 5.006A pdb=" N SER z 272 " --> pdb=" O ARG z 323 " (cutoff:3.500A) removed outlier: 7.129A pdb=" N ARG z 323 " --> pdb=" O SER z 272 " (cutoff:3.500A) removed outlier: 6.573A pdb=" N ALA z 274 " --> pdb=" O SER z 321 " (cutoff:3.500A) removed outlier: 6.821A pdb=" N SER z 321 " --> pdb=" O ALA z 274 " (cutoff:3.500A) removed outlier: 6.257A pdb=" N ALA z 276 " --> pdb=" O LEU z 319 " (cutoff:3.500A) removed outlier: 6.304A pdb=" N LEU z 319 " --> pdb=" O ALA z 276 " (cutoff:3.500A) Processing sheet with id=233, first strand: chain 'z' and resid 101 through 104 No H-bonds generated for sheet with id=233 Processing sheet with id=234, first strand: chain 'z' and resid 135 through 138 removed outlier: 5.295A pdb=" N GLY z 168 " --> pdb=" O GLN z 138 " (cutoff:3.500A) Processing sheet with id=235, first strand: chain '1' and resid 23 through 26 removed outlier: 5.831A pdb=" N GLY 1 30 " --> pdb=" O CYS 1 96 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N VAL 1 68 " --> pdb=" O GLN 1 95 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N ARG 1 97 " --> pdb=" O ASP 1 66 " (cutoff:3.500A) removed outlier: 4.722A pdb=" N ASP 1 66 " --> pdb=" O ARG 1 97 " (cutoff:3.500A) Processing sheet with id=236, first strand: chain '1' and resid 73 through 78 removed outlier: 6.615A pdb=" N ASN 1 87 " --> pdb=" O SER 1 78 " (cutoff:3.500A) Processing sheet with id=237, first strand: chain '2' and resid 23 through 26 removed outlier: 5.831A pdb=" N GLY 2 30 " --> pdb=" O CYS 2 96 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N VAL 2 68 " --> pdb=" O GLN 2 95 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N ARG 2 97 " --> pdb=" O ASP 2 66 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N ASP 2 66 " --> pdb=" O ARG 2 97 " (cutoff:3.500A) Processing sheet with id=238, first strand: chain '2' and resid 73 through 78 removed outlier: 6.615A pdb=" N ASN 2 87 " --> pdb=" O SER 2 78 " (cutoff:3.500A) Processing sheet with id=239, first strand: chain '3' and resid 23 through 26 removed outlier: 5.831A pdb=" N GLY 3 30 " --> pdb=" O CYS 3 96 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N VAL 3 68 " --> pdb=" O GLN 3 95 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N ARG 3 97 " --> pdb=" O ASP 3 66 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N ASP 3 66 " --> pdb=" O ARG 3 97 " (cutoff:3.500A) Processing sheet with id=240, first strand: chain '3' and resid 73 through 78 removed outlier: 6.615A pdb=" N ASN 3 87 " --> pdb=" O SER 3 78 " (cutoff:3.500A) Processing sheet with id=241, first strand: chain '4' and resid 23 through 26 removed outlier: 5.831A pdb=" N GLY 4 30 " --> pdb=" O CYS 4 96 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N VAL 4 68 " --> pdb=" O GLN 4 95 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N ARG 4 97 " --> pdb=" O ASP 4 66 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N ASP 4 66 " --> pdb=" O ARG 4 97 " (cutoff:3.500A) Processing sheet with id=242, first strand: chain '4' and resid 73 through 78 removed outlier: 6.614A pdb=" N ASN 4 87 " --> pdb=" O SER 4 78 " (cutoff:3.500A) Processing sheet with id=243, first strand: chain '5' and resid 23 through 26 removed outlier: 5.832A pdb=" N GLY 5 30 " --> pdb=" O CYS 5 96 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N VAL 5 68 " --> pdb=" O GLN 5 95 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N ARG 5 97 " --> pdb=" O ASP 5 66 " (cutoff:3.500A) removed outlier: 4.724A pdb=" N ASP 5 66 " --> pdb=" O ARG 5 97 " (cutoff:3.500A) Processing sheet with id=244, first strand: chain '5' and resid 73 through 78 removed outlier: 6.615A pdb=" N ASN 5 87 " --> pdb=" O SER 5 78 " (cutoff:3.500A) Processing sheet with id=245, first strand: chain '6' and resid 23 through 26 removed outlier: 5.830A pdb=" N GLY 6 30 " --> pdb=" O CYS 6 96 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N VAL 6 68 " --> pdb=" O GLN 6 95 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N ARG 6 97 " --> pdb=" O ASP 6 66 " (cutoff:3.500A) removed outlier: 4.722A pdb=" N ASP 6 66 " --> pdb=" O ARG 6 97 " (cutoff:3.500A) Processing sheet with id=246, first strand: chain '6' and resid 73 through 78 removed outlier: 6.615A pdb=" N ASN 6 87 " --> pdb=" O SER 6 78 " (cutoff:3.500A) Processing sheet with id=247, first strand: chain '7' and resid 23 through 26 removed outlier: 5.830A pdb=" N GLY 7 30 " --> pdb=" O CYS 7 96 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N VAL 7 68 " --> pdb=" O GLN 7 95 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N ARG 7 97 " --> pdb=" O ASP 7 66 " (cutoff:3.500A) removed outlier: 4.724A pdb=" N ASP 7 66 " --> pdb=" O ARG 7 97 " (cutoff:3.500A) Processing sheet with id=248, first strand: chain '7' and resid 73 through 78 removed outlier: 6.615A pdb=" N ASN 7 87 " --> pdb=" O SER 7 78 " (cutoff:3.500A) Processing sheet with id=249, first strand: chain '8' and resid 23 through 26 removed outlier: 5.831A pdb=" N GLY 8 30 " --> pdb=" O CYS 8 96 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N VAL 8 68 " --> pdb=" O GLN 8 95 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N ARG 8 97 " --> pdb=" O ASP 8 66 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N ASP 8 66 " --> pdb=" O ARG 8 97 " (cutoff:3.500A) Processing sheet with id=250, first strand: chain '8' and resid 73 through 78 removed outlier: 6.614A pdb=" N ASN 8 87 " --> pdb=" O SER 8 78 " (cutoff:3.500A) Processing sheet with id=251, first strand: chain '9' and resid 23 through 26 removed outlier: 5.831A pdb=" N GLY 9 30 " --> pdb=" O CYS 9 96 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N VAL 9 68 " --> pdb=" O GLN 9 95 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N ARG 9 97 " --> pdb=" O ASP 9 66 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N ASP 9 66 " --> pdb=" O ARG 9 97 " (cutoff:3.500A) Processing sheet with id=252, first strand: chain '9' and resid 73 through 78 removed outlier: 6.615A pdb=" N ASN 9 87 " --> pdb=" O SER 9 78 " (cutoff:3.500A) Processing sheet with id=253, first strand: chain '10' and resid 23 through 26 removed outlier: 5.831A pdb=" N GLY10 30 " --> pdb=" O CYS10 96 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N VAL10 68 " --> pdb=" O GLN10 95 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N ARG10 97 " --> pdb=" O ASP10 66 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N ASP10 66 " --> pdb=" O ARG10 97 " (cutoff:3.500A) Processing sheet with id=254, first strand: chain '10' and resid 73 through 78 removed outlier: 6.615A pdb=" N ASN10 87 " --> pdb=" O SER10 78 " (cutoff:3.500A) Processing sheet with id=255, first strand: chain '11' and resid 23 through 26 removed outlier: 5.831A pdb=" N GLY11 30 " --> pdb=" O CYS11 96 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N VAL11 68 " --> pdb=" O GLN11 95 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N ARG11 97 " --> pdb=" O ASP11 66 " (cutoff:3.500A) removed outlier: 4.724A pdb=" N ASP11 66 " --> pdb=" O ARG11 97 " (cutoff:3.500A) Processing sheet with id=256, first strand: chain '11' and resid 73 through 78 removed outlier: 6.615A pdb=" N ASN11 87 " --> pdb=" O SER11 78 " (cutoff:3.500A) Processing sheet with id=257, first strand: chain '12' and resid 23 through 26 removed outlier: 5.831A pdb=" N GLY12 30 " --> pdb=" O CYS12 96 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N VAL12 68 " --> pdb=" O GLN12 95 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N ARG12 97 " --> pdb=" O ASP12 66 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N ASP12 66 " --> pdb=" O ARG12 97 " (cutoff:3.500A) Processing sheet with id=258, first strand: chain '12' and resid 73 through 78 removed outlier: 6.615A pdb=" N ASN12 87 " --> pdb=" O SER12 78 " (cutoff:3.500A) Processing sheet with id=259, first strand: chain '13' and resid 23 through 26 removed outlier: 5.831A pdb=" N GLY13 30 " --> pdb=" O CYS13 96 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N VAL13 68 " --> pdb=" O GLN13 95 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N ARG13 97 " --> pdb=" O ASP13 66 " (cutoff:3.500A) removed outlier: 4.722A pdb=" N ASP13 66 " --> pdb=" O ARG13 97 " (cutoff:3.500A) Processing sheet with id=260, first strand: chain '13' and resid 73 through 78 removed outlier: 6.614A pdb=" N ASN13 87 " --> pdb=" O SER13 78 " (cutoff:3.500A) Processing sheet with id=261, first strand: chain '14' and resid 23 through 26 removed outlier: 5.831A pdb=" N GLY14 30 " --> pdb=" O CYS14 96 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N VAL14 68 " --> pdb=" O GLN14 95 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N ARG14 97 " --> pdb=" O ASP14 66 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N ASP14 66 " --> pdb=" O ARG14 97 " (cutoff:3.500A) Processing sheet with id=262, first strand: chain '14' and resid 73 through 78 removed outlier: 6.614A pdb=" N ASN14 87 " --> pdb=" O SER14 78 " (cutoff:3.500A) Processing sheet with id=263, first strand: chain '15' and resid 23 through 26 removed outlier: 5.831A pdb=" N GLY15 30 " --> pdb=" O CYS15 96 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N VAL15 68 " --> pdb=" O GLN15 95 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N ARG15 97 " --> pdb=" O ASP15 66 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N ASP15 66 " --> pdb=" O ARG15 97 " (cutoff:3.500A) Processing sheet with id=264, first strand: chain '15' and resid 73 through 78 removed outlier: 6.614A pdb=" N ASN15 87 " --> pdb=" O SER15 78 " (cutoff:3.500A) Processing sheet with id=265, first strand: chain '16' and resid 23 through 26 removed outlier: 5.831A pdb=" N GLY16 30 " --> pdb=" O CYS16 96 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N VAL16 68 " --> pdb=" O GLN16 95 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N ARG16 97 " --> pdb=" O ASP16 66 " (cutoff:3.500A) removed outlier: 4.724A pdb=" N ASP16 66 " --> pdb=" O ARG16 97 " (cutoff:3.500A) Processing sheet with id=266, first strand: chain '16' and resid 73 through 78 removed outlier: 6.615A pdb=" N ASN16 87 " --> pdb=" O SER16 78 " (cutoff:3.500A) Processing sheet with id=267, first strand: chain '17' and resid 23 through 26 removed outlier: 5.831A pdb=" N GLY17 30 " --> pdb=" O CYS17 96 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N VAL17 68 " --> pdb=" O GLN17 95 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N ARG17 97 " --> pdb=" O ASP17 66 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N ASP17 66 " --> pdb=" O ARG17 97 " (cutoff:3.500A) Processing sheet with id=268, first strand: chain '17' and resid 73 through 78 removed outlier: 6.614A pdb=" N ASN17 87 " --> pdb=" O SER17 78 " (cutoff:3.500A) Processing sheet with id=269, first strand: chain '18' and resid 23 through 26 removed outlier: 5.831A pdb=" N GLY18 30 " --> pdb=" O CYS18 96 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N VAL18 68 " --> pdb=" O GLN18 95 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N ARG18 97 " --> pdb=" O ASP18 66 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N ASP18 66 " --> pdb=" O ARG18 97 " (cutoff:3.500A) Processing sheet with id=270, first strand: chain '18' and resid 73 through 78 removed outlier: 6.615A pdb=" N ASN18 87 " --> pdb=" O SER18 78 " (cutoff:3.500A) Processing sheet with id=271, first strand: chain '19' and resid 23 through 26 removed outlier: 5.831A pdb=" N GLY19 30 " --> pdb=" O CYS19 96 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N VAL19 68 " --> pdb=" O GLN19 95 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N ARG19 97 " --> pdb=" O ASP19 66 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N ASP19 66 " --> pdb=" O ARG19 97 " (cutoff:3.500A) Processing sheet with id=272, first strand: chain '19' and resid 73 through 78 removed outlier: 6.615A pdb=" N ASN19 87 " --> pdb=" O SER19 78 " (cutoff:3.500A) Processing sheet with id=273, first strand: chain '20' and resid 23 through 26 removed outlier: 5.830A pdb=" N GLY20 30 " --> pdb=" O CYS20 96 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N VAL20 68 " --> pdb=" O GLN20 95 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N ARG20 97 " --> pdb=" O ASP20 66 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N ASP20 66 " --> pdb=" O ARG20 97 " (cutoff:3.500A) Processing sheet with id=274, first strand: chain '20' and resid 73 through 78 removed outlier: 6.615A pdb=" N ASN20 87 " --> pdb=" O SER20 78 " (cutoff:3.500A) Processing sheet with id=275, first strand: chain '21' and resid 23 through 26 removed outlier: 5.831A pdb=" N GLY21 30 " --> pdb=" O CYS21 96 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N VAL21 68 " --> pdb=" O GLN21 95 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N ARG21 97 " --> pdb=" O ASP21 66 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N ASP21 66 " --> pdb=" O ARG21 97 " (cutoff:3.500A) Processing sheet with id=276, first strand: chain '21' and resid 73 through 78 removed outlier: 6.614A pdb=" N ASN21 87 " --> pdb=" O SER21 78 " (cutoff:3.500A) Processing sheet with id=277, first strand: chain '22' and resid 23 through 26 removed outlier: 5.831A pdb=" N GLY22 30 " --> pdb=" O CYS22 96 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N VAL22 68 " --> pdb=" O GLN22 95 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N ARG22 97 " --> pdb=" O ASP22 66 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N ASP22 66 " --> pdb=" O ARG22 97 " (cutoff:3.500A) Processing sheet with id=278, first strand: chain '22' and resid 73 through 78 removed outlier: 6.614A pdb=" N ASN22 87 " --> pdb=" O SER22 78 " (cutoff:3.500A) Processing sheet with id=279, first strand: chain '23' and resid 23 through 26 removed outlier: 5.830A pdb=" N GLY23 30 " --> pdb=" O CYS23 96 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N VAL23 68 " --> pdb=" O GLN23 95 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N ARG23 97 " --> pdb=" O ASP23 66 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N ASP23 66 " --> pdb=" O ARG23 97 " (cutoff:3.500A) Processing sheet with id=280, first strand: chain '23' and resid 73 through 78 removed outlier: 6.614A pdb=" N ASN23 87 " --> pdb=" O SER23 78 " (cutoff:3.500A) Processing sheet with id=281, first strand: chain '24' and resid 23 through 26 removed outlier: 5.831A pdb=" N GLY24 30 " --> pdb=" O CYS24 96 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N VAL24 68 " --> pdb=" O GLN24 95 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N ARG24 97 " --> pdb=" O ASP24 66 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N ASP24 66 " --> pdb=" O ARG24 97 " (cutoff:3.500A) Processing sheet with id=282, first strand: chain '24' and resid 73 through 78 removed outlier: 6.615A pdb=" N ASN24 87 " --> pdb=" O SER24 78 " (cutoff:3.500A) Processing sheet with id=283, first strand: chain '25' and resid 23 through 26 removed outlier: 5.831A pdb=" N GLY25 30 " --> pdb=" O CYS25 96 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N VAL25 68 " --> pdb=" O GLN25 95 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N ARG25 97 " --> pdb=" O ASP25 66 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N ASP25 66 " --> pdb=" O ARG25 97 " (cutoff:3.500A) Processing sheet with id=284, first strand: chain '25' and resid 73 through 78 removed outlier: 6.614A pdb=" N ASN25 87 " --> pdb=" O SER25 78 " (cutoff:3.500A) Processing sheet with id=285, first strand: chain '26' and resid 23 through 26 removed outlier: 5.831A pdb=" N GLY26 30 " --> pdb=" O CYS26 96 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N VAL26 68 " --> pdb=" O GLN26 95 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N ARG26 97 " --> pdb=" O ASP26 66 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N ASP26 66 " --> pdb=" O ARG26 97 " (cutoff:3.500A) Processing sheet with id=286, first strand: chain '26' and resid 73 through 78 removed outlier: 6.615A pdb=" N ASN26 87 " --> pdb=" O SER26 78 " (cutoff:3.500A) 4602 hydrogen bonds defined for protein. 13494 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: 59.94 Time building geometry restraints manager: 40.34 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.18 - 1.31: 20306 1.31 - 1.43: 29777 1.43 - 1.56: 70842 1.56 - 1.69: 183 1.69 - 1.81: 988 Bond restraints: 122096 Sorted by residual: bond pdb=" CB6 TQN O 301 " pdb=" OB6 TQN O 301 " ideal model delta sigma weight residual 1.415 1.186 0.229 2.00e-02 2.50e+03 1.31e+02 bond pdb=" CB6 TQN J 301 " pdb=" OB6 TQN J 301 " ideal model delta sigma weight residual 1.415 1.186 0.229 2.00e-02 2.50e+03 1.31e+02 bond pdb=" CB6 TQN B 301 " pdb=" OB6 TQN B 301 " ideal model delta sigma weight residual 1.415 1.186 0.229 2.00e-02 2.50e+03 1.31e+02 bond pdb=" CB6 TQN C 301 " pdb=" OB6 TQN C 301 " ideal model delta sigma weight residual 1.415 1.186 0.229 2.00e-02 2.50e+03 1.31e+02 bond pdb=" CB6 TQN V 301 " pdb=" OB6 TQN V 301 " ideal model delta sigma weight residual 1.415 1.186 0.229 2.00e-02 2.50e+03 1.31e+02 ... (remaining 122091 not shown) Histogram of bond angle deviations from ideal: 100.65 - 107.32: 3575 107.32 - 113.98: 71451 113.98 - 120.64: 43996 120.64 - 127.31: 45481 127.31 - 133.97: 753 Bond angle restraints: 165256 Sorted by residual: angle pdb=" CE1 TQN C 301 " pdb=" CD9 TQN C 301 " pdb=" C59 TQN C 301 " ideal model delta sigma weight residual 109.50 133.94 -24.44 3.00e+00 1.11e-01 6.64e+01 angle pdb=" CE1 TQN G 301 " pdb=" CD9 TQN G 301 " pdb=" C59 TQN G 301 " ideal model delta sigma weight residual 109.50 133.94 -24.44 3.00e+00 1.11e-01 6.64e+01 angle pdb=" CE1 TQN A 302 " pdb=" CD9 TQN A 302 " pdb=" C59 TQN A 302 " ideal model delta sigma weight residual 109.50 133.93 -24.43 3.00e+00 1.11e-01 6.63e+01 angle pdb=" CE1 TQN I 301 " pdb=" CD9 TQN I 301 " pdb=" C59 TQN I 301 " ideal model delta sigma weight residual 109.50 133.93 -24.43 3.00e+00 1.11e-01 6.63e+01 angle pdb=" CE1 TQN U 301 " pdb=" CD9 TQN U 301 " pdb=" C59 TQN U 301 " ideal model delta sigma weight residual 109.50 133.93 -24.43 3.00e+00 1.11e-01 6.63e+01 ... (remaining 165251 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 35.14: 70433 35.14 - 70.29: 2408 70.29 - 105.43: 427 105.43 - 140.58: 26 140.58 - 175.72: 52 Dihedral angle restraints: 73346 sinusoidal: 29380 harmonic: 43966 Sorted by residual: dihedral pdb=" C75 TQN E 301 " pdb=" C76 TQN E 301 " pdb=" C77 TQN E 301 " pdb=" C78 TQN E 301 " ideal model delta sinusoidal sigma weight residual 99.21 -85.07 -175.72 1 3.00e+01 1.11e-03 2.13e+01 dihedral pdb=" C75 TQN N 301 " pdb=" C76 TQN N 301 " pdb=" C77 TQN N 301 " pdb=" C78 TQN N 301 " ideal model delta sinusoidal sigma weight residual 99.21 -85.09 -175.70 1 3.00e+01 1.11e-03 2.13e+01 dihedral pdb=" C75 TQN U 301 " pdb=" C76 TQN U 301 " pdb=" C77 TQN U 301 " pdb=" C78 TQN U 301 " ideal model delta sinusoidal sigma weight residual 99.21 -85.10 -175.69 1 3.00e+01 1.11e-03 2.13e+01 ... (remaining 73343 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.350: 19292 0.350 - 0.701: 0 0.701 - 1.051: 0 1.051 - 1.401: 0 1.401 - 1.752: 26 Chirality restraints: 19318 Sorted by residual: chirality pdb=" C2 TLW N 302 " pdb=" C1 TLW N 302 " pdb=" C3 TLW N 302 " pdb=" O6 TLW N 302 " both_signs ideal model delta sigma weight residual False -2.43 -0.68 -1.75 2.00e-01 2.50e+01 7.67e+01 chirality pdb=" C2 TLW I 302 " pdb=" C1 TLW I 302 " pdb=" C3 TLW I 302 " pdb=" O6 TLW I 302 " both_signs ideal model delta sigma weight residual False -2.43 -0.68 -1.75 2.00e-01 2.50e+01 7.66e+01 chirality pdb=" C2 TLW O 302 " pdb=" C1 TLW O 302 " pdb=" C3 TLW O 302 " pdb=" O6 TLW O 302 " both_signs ideal model delta sigma weight residual False -2.43 -0.68 -1.75 2.00e-01 2.50e+01 7.66e+01 ... (remaining 19315 not shown) Planarity restraints: 21580 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C THR l 341 " 0.019 5.00e-02 4.00e+02 2.94e-02 1.38e+00 pdb=" N PRO l 342 " -0.051 5.00e-02 4.00e+02 pdb=" CA PRO l 342 " 0.015 5.00e-02 4.00e+02 pdb=" CD PRO l 342 " 0.016 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C THR i 341 " 0.019 5.00e-02 4.00e+02 2.93e-02 1.38e+00 pdb=" N PRO i 342 " -0.051 5.00e-02 4.00e+02 pdb=" CA PRO i 342 " 0.015 5.00e-02 4.00e+02 pdb=" CD PRO i 342 " 0.016 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C THR s 341 " -0.019 5.00e-02 4.00e+02 2.93e-02 1.38e+00 pdb=" N PRO s 342 " 0.051 5.00e-02 4.00e+02 pdb=" CA PRO s 342 " -0.015 5.00e-02 4.00e+02 pdb=" CD PRO s 342 " -0.016 5.00e-02 4.00e+02 ... (remaining 21577 not shown) Histogram of nonbonded interaction distances: 1.98 - 2.56: 1533 2.56 - 3.15: 100506 3.15 - 3.73: 186257 3.73 - 4.32: 271062 4.32 - 4.90: 465470 Nonbonded interactions: 1024828 Sorted by model distance: nonbonded pdb=" OG1 THR22 17 " pdb=" O THR22 43 " model vdw 1.980 2.440 nonbonded pdb=" OG1 THR21 17 " pdb=" O THR21 43 " model vdw 1.980 2.440 nonbonded pdb=" OG1 THR25 17 " pdb=" O THR25 43 " model vdw 1.980 2.440 nonbonded pdb=" OG1 THR26 17 " pdb=" O THR26 43 " model vdw 1.980 2.440 nonbonded pdb=" OG1 THR17 17 " pdb=" O THR17 43 " model vdw 1.980 2.440 ... (remaining 1024823 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 '10' selection = chain '11' selection = chain '12' selection = chain '13' selection = chain '14' selection = chain '15' selection = chain '16' selection = chain '17' selection = chain '18' selection = chain '19' selection = chain '2' selection = chain '20' selection = chain '21' selection = chain '22' selection = chain '23' selection = chain '24' selection = chain '25' selection = chain '26' selection = chain '3' selection = chain '4' selection = chain '5' selection = chain '6' selection = chain '7' selection = chain '8' selection = chain '9' } ncs_group { reference = (chain 'A' and resid 22 through 232) selection = (chain 'B' and resid 22 through 232) selection = (chain 'C' and resid 22 through 232) selection = (chain 'D' and resid 22 through 232) selection = (chain 'E' and resid 22 through 232) selection = (chain 'F' and resid 22 through 232) selection = (chain 'G' and resid 22 through 232) selection = (chain 'H' and resid 22 through 232) selection = (chain 'I' and resid 22 through 232) selection = (chain 'J' and resid 22 through 232) selection = (chain 'K' and resid 22 through 232) selection = (chain 'L' and resid 22 through 232) selection = (chain 'M' and resid 22 through 232) selection = (chain 'N' and resid 22 through 232) selection = (chain 'O' and resid 22 through 232) selection = (chain 'P' and resid 22 through 232) selection = (chain 'Q' and resid 22 through 232) selection = (chain 'R' and resid 22 through 232) selection = (chain 'S' and resid 22 through 232) selection = (chain 'T' and resid 22 through 232) selection = (chain 'U' and resid 22 through 232) selection = (chain 'V' and resid 22 through 232) selection = (chain 'W' and resid 22 through 232) selection = (chain 'X' and resid 22 through 232) selection = (chain 'Y' and resid 22 through 232) selection = (chain 'Z' and resid 22 through 232) } ncs_group { reference = chain 'a' selection = chain 'b' selection = chain 'c' selection = chain 'd' selection = chain 'e' selection = chain 'f' selection = chain 'g' selection = chain 'h' selection = chain 'i' selection = chain 'j' selection = chain 'k' selection = chain 'l' selection = chain 'm' selection = chain 'n' selection = chain 'o' selection = chain 'p' selection = chain 'q' selection = chain 'r' selection = chain 's' selection = chain 't' selection = chain 'u' selection = chain 'v' selection = chain 'w' selection = chain 'x' selection = chain 'y' selection = chain 'z' } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as individual isotropic Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 4.800 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: 0.110 Extract box with map and model: 23.490 Check model and map are aligned: 1.330 Set scattering table: 0.820 Process input model: 245.930 Find NCS groups from input model: 6.540 Set up NCS constraints: 1.860 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:10.190 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 295.110 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8354 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 : 0.007 0.229 122096 Z= 0.471 Angle : 0.702 24.443 165256 Z= 0.300 Chirality : 0.077 1.752 19318 Planarity : 0.002 0.029 21580 Dihedral : 19.337 175.719 45058 Min Nonbonded Distance : 1.980 Molprobity Statistics. All-atom Clashscore : 30.00 Ramachandran Plot: Outliers : 0.00 % Allowed : 7.28 % Favored : 92.72 % Rotamer Outliers : 2.50 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.56 (0.07), residues: 15366 helix: 3.12 (0.10), residues: 2860 sheet: 0.74 (0.08), residues: 4966 loop : -1.03 (0.07), residues: 7540 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30732 Ramachandran restraints generated. 15366 Oldfield, 0 Emsley, 15366 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30732 Ramachandran restraints generated. 15366 Oldfield, 0 Emsley, 15366 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1760 residues out of total 12818 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 321 poor density : 1439 time to evaluate : 9.964 Fit side-chains outliers start: 321 outliers final: 183 residues processed: 1604 average time/residue: 1.9036 time to fit residues: 4276.8307 Evaluate side-chains 1484 residues out of total 12818 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 183 poor density : 1301 time to evaluate : 9.930 Switching outliers to nearest non-outliers outliers start: 183 outliers final: 176 residues processed: 7 average time/residue: 1.4620 time to fit residues: 28.2081 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1534 random chunks: chunk 1295 optimal weight: 2.9990 chunk 1162 optimal weight: 10.0000 chunk 645 optimal weight: 9.9990 chunk 397 optimal weight: 3.9990 chunk 784 optimal weight: 0.0470 chunk 621 optimal weight: 8.9990 chunk 1202 optimal weight: 1.9990 chunk 465 optimal weight: 10.0000 chunk 731 optimal weight: 9.9990 chunk 894 optimal weight: 30.0000 chunk 1393 optimal weight: 10.0000 overall best weight: 3.6086 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 210 ASN ** a 159 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 161 ASN a 178 GLN a 350 GLN b 83 ASN b 159 GLN b 161 ASN b 241 ASN b 350 GLN c 159 GLN c 161 ASN c 178 GLN c 350 GLN d 159 GLN d 161 ASN d 178 GLN ** d 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 350 GLN e 159 GLN e 161 ASN e 241 ASN e 350 GLN f 159 GLN f 161 ASN f 178 GLN f 241 ASN f 350 GLN g 159 GLN g 161 ASN g 178 GLN g 241 ASN g 350 GLN h 159 GLN h 161 ASN h 178 GLN h 241 ASN h 350 GLN i 159 GLN i 161 ASN i 178 GLN i 350 GLN j 83 ASN j 159 GLN j 161 ASN j 178 GLN j 241 ASN j 350 GLN k 159 GLN k 161 ASN k 178 GLN k 241 ASN k 350 GLN l 159 GLN l 161 ASN l 178 GLN l 350 GLN m 159 GLN m 161 ASN m 178 GLN m 350 GLN n 159 GLN n 161 ASN n 178 GLN n 350 GLN o 83 ASN o 159 GLN o 161 ASN o 241 ASN o 350 GLN ** p 159 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 161 ASN p 178 GLN p 350 GLN q 159 GLN q 161 ASN q 178 GLN q 350 GLN r 159 GLN r 161 ASN r 241 ASN r 350 GLN s 159 GLN s 161 ASN s 178 GLN s 241 ASN s 350 GLN t 159 GLN t 161 ASN t 178 GLN t 241 ASN t 350 GLN u 159 GLN u 161 ASN u 178 GLN u 241 ASN u 350 GLN v 159 GLN v 161 ASN v 178 GLN v 350 GLN w 159 GLN w 161 ASN w 178 GLN w 241 ASN w 350 GLN x 159 GLN x 161 ASN x 178 GLN x 241 ASN x 350 GLN y 159 GLN y 161 ASN y 178 GLN y 241 ASN y 350 GLN z 159 GLN z 178 GLN z 350 GLN D 210 ASN E 210 ASN F 210 ASN G 210 ASN H 210 ASN I 210 ASN J 210 ASN K 210 ASN L 210 ASN M 168 GLN M 210 ASN N 210 ASN P 210 ASN Q 210 ASN R 210 ASN S 210 ASN U 210 ASN V 210 ASN W 210 ASN X 210 ASN Y 210 ASN Z 168 GLN Z 210 ASN Total number of N/Q/H flips: 139 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8485 moved from start: 0.1426 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.036 122096 Z= 0.293 Angle : 0.638 7.172 165256 Z= 0.322 Chirality : 0.047 0.150 19318 Planarity : 0.004 0.044 21580 Dihedral : 15.161 165.428 18850 Min Nonbonded Distance : 2.133 Molprobity Statistics. All-atom Clashscore : 8.91 Ramachandran Plot: Outliers : 0.00 % Allowed : 7.84 % Favored : 92.16 % Rotamer Outliers : 4.43 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.14 (0.07), residues: 15366 helix: 2.30 (0.09), residues: 2834 sheet: 0.70 (0.08), residues: 4420 loop : -1.12 (0.07), residues: 8112 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30732 Ramachandran restraints generated. 15366 Oldfield, 0 Emsley, 15366 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30732 Ramachandran restraints generated. 15366 Oldfield, 0 Emsley, 15366 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1905 residues out of total 12818 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 568 poor density : 1337 time to evaluate : 10.031 Fit side-chains revert: symmetry clash revert: symmetry clash outliers start: 568 outliers final: 247 residues processed: 1755 average time/residue: 2.0292 time to fit residues: 5027.3706 Evaluate side-chains 1570 residues out of total 12818 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 247 poor density : 1323 time to evaluate : 9.952 Switching outliers to nearest non-outliers outliers start: 247 outliers final: 230 residues processed: 20 average time/residue: 1.9125 time to fit residues: 68.0173 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1534 random chunks: chunk 774 optimal weight: 2.9990 chunk 432 optimal weight: 10.0000 chunk 1159 optimal weight: 7.9990 chunk 948 optimal weight: 6.9990 chunk 384 optimal weight: 20.0000 chunk 1395 optimal weight: 9.9990 chunk 1507 optimal weight: 8.9990 chunk 1242 optimal weight: 0.0470 chunk 1383 optimal weight: 10.0000 chunk 475 optimal weight: 5.9990 chunk 1119 optimal weight: 9.9990 overall best weight: 4.8086 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** a 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 159 GLN a 178 GLN b 83 ASN ** b 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 178 GLN ** c 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 178 GLN ** d 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 178 GLN ** d 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 178 GLN f 161 ASN f 178 GLN g 83 ASN ** g 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 178 GLN h 178 GLN i 68 GLN i 178 GLN j 83 ASN ** j 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 161 ASN j 178 GLN j 245 ASN ** k 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 161 ASN k 178 GLN l 99 GLN l 178 GLN m 68 GLN ** m 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 178 GLN ** n 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 83 ASN ** o 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 178 GLN p 159 GLN p 178 GLN ** q 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 178 GLN ** q 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 178 GLN s 68 GLN s 161 ASN s 178 GLN t 83 ASN ** t 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 178 GLN u 178 GLN v 68 GLN v 178 GLN w 83 ASN w 161 ASN w 178 GLN ** w 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 161 ASN x 178 GLN y 178 GLN y 241 ASN z 68 GLN ** z 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 161 ASN z 178 GLN M 168 GLN Z 168 GLN Total number of N/Q/H flips: 50 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8517 moved from start: 0.1845 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 0.070 122096 Z= 0.361 Angle : 0.661 11.005 165256 Z= 0.338 Chirality : 0.048 0.153 19318 Planarity : 0.004 0.049 21580 Dihedral : 14.343 160.643 18850 Min Nonbonded Distance : 2.196 Molprobity Statistics. All-atom Clashscore : 8.37 Ramachandran Plot: Outliers : 0.00 % Allowed : 8.27 % Favored : 91.73 % Rotamer Outliers : 4.40 % 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: -0.01 (0.07), residues: 15366 helix: 2.00 (0.09), residues: 2808 sheet: 0.69 (0.08), residues: 4732 loop : -1.27 (0.07), residues: 7826 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30732 Ramachandran restraints generated. 15366 Oldfield, 0 Emsley, 15366 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30732 Ramachandran restraints generated. 15366 Oldfield, 0 Emsley, 15366 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1905 residues out of total 12818 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 564 poor density : 1341 time to evaluate : 10.154 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 outliers start: 564 outliers final: 308 residues processed: 1788 average time/residue: 1.8830 time to fit residues: 4794.2451 Evaluate side-chains 1650 residues out of total 12818 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 308 poor density : 1342 time to evaluate : 10.027 Switching outliers to nearest non-outliers outliers start: 308 outliers final: 280 residues processed: 28 average time/residue: 1.0827 time to fit residues: 66.0734 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1534 random chunks: chunk 1378 optimal weight: 5.9990 chunk 1049 optimal weight: 4.9990 chunk 724 optimal weight: 10.0000 chunk 154 optimal weight: 7.9990 chunk 666 optimal weight: 5.9990 chunk 937 optimal weight: 0.6980 chunk 1400 optimal weight: 9.9990 chunk 1482 optimal weight: 9.9990 chunk 731 optimal weight: 0.0070 chunk 1327 optimal weight: 5.9990 chunk 399 optimal weight: 0.6980 overall best weight: 2.4802 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: a 178 GLN b 83 ASN b 178 GLN c 178 GLN d 178 GLN ** d 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 178 GLN f 68 GLN f 178 GLN g 83 ASN g 178 GLN h 178 GLN i 83 ASN i 178 GLN j 83 ASN j 178 GLN ** k 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 178 GLN l 178 GLN m 178 GLN o 83 ASN o 178 GLN p 178 GLN q 68 GLN q 178 GLN r 178 GLN s 68 GLN s 83 ASN s 178 GLN t 83 ASN t 178 GLN u 178 GLN v 178 GLN w 83 ASN w 178 GLN x 178 GLN y 178 GLN z 178 GLN G 217 GLN V 217 GLN Y 217 GLN Total number of N/Q/H flips: 39 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8479 moved from start: 0.1825 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.035 122096 Z= 0.220 Angle : 0.577 8.590 165256 Z= 0.295 Chirality : 0.045 0.131 19318 Planarity : 0.004 0.051 21580 Dihedral : 13.580 157.419 18850 Min Nonbonded Distance : 2.215 Molprobity Statistics. All-atom Clashscore : 7.86 Ramachandran Plot: Outliers : 0.00 % Allowed : 7.84 % Favored : 92.16 % Rotamer Outliers : 4.13 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.04 (0.07), residues: 15366 helix: 2.28 (0.10), residues: 2678 sheet: 0.61 (0.08), residues: 4264 loop : -1.20 (0.07), residues: 8424 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30732 Ramachandran restraints generated. 15366 Oldfield, 0 Emsley, 15366 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30732 Ramachandran restraints generated. 15366 Oldfield, 0 Emsley, 15366 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1859 residues out of total 12818 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 530 poor density : 1329 time to evaluate : 10.447 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 530 outliers final: 357 residues processed: 1771 average time/residue: 1.9174 time to fit residues: 4840.7255 Evaluate side-chains 1690 residues out of total 12818 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 357 poor density : 1333 time to evaluate : 10.006 Switching outliers to nearest non-outliers outliers start: 357 outliers final: 328 residues processed: 29 average time/residue: 0.9433 time to fit residues: 64.4554 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1534 random chunks: chunk 1234 optimal weight: 2.9990 chunk 841 optimal weight: 8.9990 chunk 21 optimal weight: 6.9990 chunk 1104 optimal weight: 10.0000 chunk 611 optimal weight: 9.9990 chunk 1265 optimal weight: 9.9990 chunk 1024 optimal weight: 3.9990 chunk 1 optimal weight: 6.9990 chunk 757 optimal weight: 5.9990 chunk 1330 optimal weight: 9.9990 chunk 374 optimal weight: 9.9990 overall best weight: 5.3990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** a 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 178 GLN b 83 ASN ** b 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 178 GLN b 183 ASN ** c 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 68 GLN ** d 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 178 GLN ** d 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 178 GLN f 68 GLN ** f 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 178 GLN g 68 GLN g 83 ASN ** g 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 178 GLN ** h 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 178 GLN i 68 GLN i 83 ASN ** i 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 83 ASN j 99 GLN j 178 GLN j 183 ASN ** j 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 178 GLN ** k 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 178 GLN l 245 ASN ** l 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 178 GLN ** n 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 83 ASN ** o 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 178 GLN o 183 ASN ** o 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 178 GLN ** q 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 178 GLN s 68 GLN s 83 ASN s 178 GLN t 83 ASN ** t 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 178 GLN ** u 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 178 GLN v 68 GLN ** v 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 83 ASN w 178 GLN w 183 ASN ** w 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 178 GLN ** x 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 178 GLN ** y 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 178 GLN ** z 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 41 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8532 moved from start: 0.2112 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.006 0.051 122096 Z= 0.387 Angle : 0.673 10.107 165256 Z= 0.343 Chirality : 0.048 0.178 19318 Planarity : 0.004 0.052 21580 Dihedral : 13.685 149.979 18850 Min Nonbonded Distance : 2.176 Molprobity Statistics. All-atom Clashscore : 7.69 Ramachandran Plot: Outliers : 0.00 % Allowed : 8.67 % Favored : 91.33 % Rotamer Outliers : 4.75 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.01 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.17 (0.07), residues: 15366 helix: 1.83 (0.10), residues: 2808 sheet: 0.59 (0.07), residues: 4732 loop : -1.34 (0.07), residues: 7826 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30732 Ramachandran restraints generated. 15366 Oldfield, 0 Emsley, 15366 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30732 Ramachandran restraints generated. 15366 Oldfield, 0 Emsley, 15366 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1950 residues out of total 12818 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 609 poor density : 1341 time to evaluate : 10.144 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 outliers start: 609 outliers final: 404 residues processed: 1851 average time/residue: 1.8525 time to fit residues: 4922.4295 Evaluate side-chains 1758 residues out of total 12818 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 404 poor density : 1354 time to evaluate : 9.998 Switching outliers to nearest non-outliers outliers start: 404 outliers final: 368 residues processed: 37 average time/residue: 1.2933 time to fit residues: 89.1783 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1534 random chunks: chunk 498 optimal weight: 8.9990 chunk 1335 optimal weight: 6.9990 chunk 293 optimal weight: 6.9990 chunk 870 optimal weight: 30.0000 chunk 366 optimal weight: 4.9990 chunk 1484 optimal weight: 10.0000 chunk 1232 optimal weight: 8.9990 chunk 687 optimal weight: 8.9990 chunk 123 optimal weight: 6.9990 chunk 490 optimal weight: 10.0000 chunk 779 optimal weight: 7.9990 overall best weight: 6.7990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: a 99 GLN a 178 GLN a 183 ASN b 83 ASN b 99 GLN b 178 GLN c 99 GLN c 183 ASN ** c 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 68 GLN ** d 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 178 GLN d 183 ASN ** d 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 178 GLN e 183 ASN ** f 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 178 GLN f 183 ASN g 68 GLN g 83 ASN g 99 GLN g 178 GLN g 183 ASN h 99 GLN h 178 GLN h 183 ASN i 83 ASN ** i 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 183 ASN j 83 ASN j 99 GLN j 178 GLN ** j 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 99 GLN k 178 GLN k 183 ASN ** k 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 178 GLN l 183 ASN ** l 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 99 GLN m 178 GLN m 183 ASN ** n 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 183 ASN o 83 ASN ** o 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 178 GLN ** o 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 183 ASN ** p 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 68 GLN ** q 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 178 GLN q 183 ASN ** q 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 178 GLN r 183 ASN s 68 GLN ** s 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 178 GLN s 183 ASN t 83 ASN t 99 GLN t 178 GLN t 183 ASN ** u 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 178 GLN u 183 ASN ** v 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 178 GLN v 183 ASN w 83 ASN w 99 GLN w 178 GLN ** w 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 99 GLN x 178 GLN x 183 ASN y 99 GLN y 178 GLN y 183 ASN y 245 ASN ** y 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 68 GLN z 99 GLN z 178 GLN z 183 ASN z 245 ASN Total number of N/Q/H flips: 71 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8552 moved from start: 0.2366 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.007 0.058 122096 Z= 0.471 Angle : 0.725 10.827 165256 Z= 0.371 Chirality : 0.050 0.212 19318 Planarity : 0.005 0.053 21580 Dihedral : 13.868 129.459 18850 Min Nonbonded Distance : 2.140 Molprobity Statistics. All-atom Clashscore : 7.97 Ramachandran Plot: Outliers : 0.00 % Allowed : 8.53 % Favored : 91.47 % Rotamer Outliers : 5.15 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.01 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.31 (0.07), residues: 15366 helix: 1.67 (0.09), residues: 2808 sheet: 0.47 (0.07), residues: 4732 loop : -1.39 (0.07), residues: 7826 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30732 Ramachandran restraints generated. 15366 Oldfield, 0 Emsley, 15366 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30732 Ramachandran restraints generated. 15366 Oldfield, 0 Emsley, 15366 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2021 residues out of total 12818 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 660 poor density : 1361 time to evaluate : 10.272 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 outliers start: 660 outliers final: 432 residues processed: 1917 average time/residue: 1.8315 time to fit residues: 5059.6306 Evaluate side-chains 1798 residues out of total 12818 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 432 poor density : 1366 time to evaluate : 10.024 Switching outliers to nearest non-outliers outliers start: 432 outliers final: 401 residues processed: 31 average time/residue: 1.3084 time to fit residues: 78.9033 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1534 random chunks: chunk 1430 optimal weight: 8.9990 chunk 167 optimal weight: 20.0000 chunk 845 optimal weight: 8.9990 chunk 1083 optimal weight: 5.9990 chunk 839 optimal weight: 40.0000 chunk 1249 optimal weight: 5.9990 chunk 828 optimal weight: 50.0000 chunk 1478 optimal weight: 9.9990 chunk 925 optimal weight: 8.9990 chunk 901 optimal weight: 8.9990 chunk 682 optimal weight: 0.9980 overall best weight: 6.1988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: a 99 GLN a 178 GLN a 245 ASN b 83 ASN b 99 GLN b 178 GLN d 68 GLN d 99 GLN d 178 GLN ** d 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 178 GLN ** f 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 178 GLN g 83 ASN g 178 GLN h 178 GLN i 83 ASN i 99 GLN i 245 ASN j 83 ASN j 99 GLN j 178 GLN ** j 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 99 GLN k 178 GLN ** k 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 178 GLN ** l 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 99 GLN m 178 GLN m 245 ASN ** n 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 83 ASN ** o 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 178 GLN ** o 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 99 GLN ** p 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 68 GLN q 99 GLN q 178 GLN ** q 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 178 GLN ** s 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 178 GLN t 83 ASN t 178 GLN ** u 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 178 GLN ** v 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 178 GLN w 83 ASN w 99 GLN w 178 GLN ** w 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 99 GLN x 178 GLN y 178 GLN ** y 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 68 GLN z 99 GLN z 178 GLN Total number of N/Q/H flips: 47 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8548 moved from start: 0.2408 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.007 0.061 122096 Z= 0.436 Angle : 0.703 10.698 165256 Z= 0.360 Chirality : 0.050 0.198 19318 Planarity : 0.005 0.053 21580 Dihedral : 13.767 121.388 18850 Min Nonbonded Distance : 2.089 Molprobity Statistics. All-atom Clashscore : 7.90 Ramachandran Plot: Outliers : 0.00 % Allowed : 8.67 % Favored : 91.33 % Rotamer Outliers : 4.87 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.03 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.35 (0.07), residues: 15366 helix: 1.66 (0.09), residues: 2808 sheet: 0.57 (0.08), residues: 4238 loop : -1.40 (0.07), residues: 8320 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30732 Ramachandran restraints generated. 15366 Oldfield, 0 Emsley, 15366 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30732 Ramachandran restraints generated. 15366 Oldfield, 0 Emsley, 15366 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1974 residues out of total 12818 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 624 poor density : 1350 time to evaluate : 10.250 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 624 outliers final: 435 residues processed: 1899 average time/residue: 1.8363 time to fit residues: 5038.6266 Evaluate side-chains 1790 residues out of total 12818 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 435 poor density : 1355 time to evaluate : 9.932 Switching outliers to nearest non-outliers outliers start: 435 outliers final: 408 residues processed: 28 average time/residue: 1.1550 time to fit residues: 68.0443 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1534 random chunks: chunk 914 optimal weight: 20.0000 chunk 590 optimal weight: 9.9990 chunk 883 optimal weight: 6.9990 chunk 445 optimal weight: 4.9990 chunk 290 optimal weight: 10.0000 chunk 286 optimal weight: 6.9990 chunk 939 optimal weight: 40.0000 chunk 1007 optimal weight: 9.9990 chunk 730 optimal weight: 6.9990 chunk 137 optimal weight: 20.0000 chunk 1162 optimal weight: 5.9990 overall best weight: 6.3990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: a 99 GLN a 178 GLN b 83 ASN b 99 GLN b 178 GLN c 178 GLN d 68 GLN d 99 GLN d 178 GLN ** d 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 99 GLN e 178 GLN ** f 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 178 GLN g 83 ASN g 178 GLN h 178 GLN i 99 GLN j 83 ASN j 99 GLN j 178 GLN ** j 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 178 GLN l 178 GLN ** l 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 178 GLN ** n 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 245 ASN o 83 ASN ** o 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 178 GLN ** o 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 178 GLN ** p 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 99 GLN q 178 GLN ** q 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 178 GLN ** s 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 178 GLN t 83 ASN t 178 GLN u 99 GLN u 178 GLN ** v 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 83 ASN w 99 GLN w 178 GLN ** w 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 178 GLN y 178 GLN ** y 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 178 GLN Total number of N/Q/H flips: 40 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8552 moved from start: 0.2476 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.007 0.069 122096 Z= 0.450 Angle : 0.715 11.401 165256 Z= 0.366 Chirality : 0.050 0.201 19318 Planarity : 0.005 0.053 21580 Dihedral : 13.736 117.733 18850 Min Nonbonded Distance : 2.085 Molprobity Statistics. All-atom Clashscore : 8.02 Ramachandran Plot: Outliers : 0.00 % Allowed : 8.67 % Favored : 91.33 % Rotamer Outliers : 4.49 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.03 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.38 (0.07), residues: 15366 helix: 1.64 (0.09), residues: 2808 sheet: 0.36 (0.08), residues: 4602 loop : -1.37 (0.07), residues: 7956 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30732 Ramachandran restraints generated. 15366 Oldfield, 0 Emsley, 15366 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30732 Ramachandran restraints generated. 15366 Oldfield, 0 Emsley, 15366 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1909 residues out of total 12818 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 575 poor density : 1334 time to evaluate : 10.135 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 575 outliers final: 437 residues processed: 1853 average time/residue: 1.8912 time to fit residues: 5061.1668 Evaluate side-chains 1759 residues out of total 12818 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 437 poor density : 1322 time to evaluate : 9.866 Switching outliers to nearest non-outliers outliers start: 437 outliers final: 427 residues processed: 10 average time/residue: 1.5291 time to fit residues: 37.0282 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1534 random chunks: chunk 1344 optimal weight: 6.9990 chunk 1416 optimal weight: 1.9990 chunk 1292 optimal weight: 5.9990 chunk 1377 optimal weight: 6.9990 chunk 829 optimal weight: 7.9990 chunk 600 optimal weight: 1.9990 chunk 1081 optimal weight: 8.9990 chunk 422 optimal weight: 0.7980 chunk 1245 optimal weight: 1.9990 chunk 1303 optimal weight: 0.1980 chunk 1372 optimal weight: 8.9990 overall best weight: 1.3986 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: a 99 GLN a 178 GLN ** b 68 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 83 ASN b 99 GLN b 178 GLN c 178 GLN d 68 GLN d 178 GLN e 99 GLN e 178 GLN f 68 GLN ** f 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 178 GLN g 68 GLN g 83 ASN g 178 GLN h 83 ASN h 178 GLN i 68 GLN i 83 ASN i 99 GLN j 83 ASN j 99 GLN j 178 GLN k 83 ASN k 178 GLN l 83 ASN l 178 GLN m 178 GLN ** n 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 68 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 83 ASN ** o 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 178 GLN p 178 GLN q 178 GLN ** r 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 178 GLN s 68 GLN s 83 ASN ** s 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 178 GLN t 83 ASN t 178 GLN u 68 GLN u 83 ASN u 178 GLN v 68 GLN v 83 ASN ** v 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 83 ASN w 99 GLN w 178 GLN x 83 ASN x 178 GLN y 83 ASN y 178 GLN z 178 GLN B 217 GLN C 217 GLN D 217 GLN E 217 GLN I 217 GLN L 217 GLN N 217 GLN O 217 GLN Q 217 GLN S 217 GLN Z 217 GLN Total number of N/Q/H flips: 62 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8462 moved from start: 0.2261 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.036 122096 Z= 0.167 Angle : 0.565 10.552 165256 Z= 0.290 Chirality : 0.045 0.158 19318 Planarity : 0.004 0.051 21580 Dihedral : 12.869 115.829 18850 Min Nonbonded Distance : 2.165 Molprobity Statistics. All-atom Clashscore : 8.35 Ramachandran Plot: Outliers : 0.00 % Allowed : 7.72 % Favored : 92.28 % Rotamer Outliers : 3.88 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.21 (0.07), residues: 15366 helix: 2.20 (0.10), residues: 2678 sheet: 0.20 (0.08), residues: 4628 loop : -1.18 (0.07), residues: 8060 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30732 Ramachandran restraints generated. 15366 Oldfield, 0 Emsley, 15366 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30732 Ramachandran restraints generated. 15366 Oldfield, 0 Emsley, 15366 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1837 residues out of total 12818 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 497 poor density : 1340 time to evaluate : 10.210 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 497 outliers final: 380 residues processed: 1794 average time/residue: 1.8887 time to fit residues: 4849.7820 Evaluate side-chains 1692 residues out of total 12818 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 380 poor density : 1312 time to evaluate : 9.988 Switching outliers to nearest non-outliers outliers start: 380 outliers final: 364 residues processed: 16 average time/residue: 0.9483 time to fit residues: 41.3725 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1534 random chunks: chunk 904 optimal weight: 20.0000 chunk 1456 optimal weight: 5.9990 chunk 889 optimal weight: 5.9990 chunk 691 optimal weight: 9.9990 chunk 1012 optimal weight: 9.9990 chunk 1528 optimal weight: 8.9990 chunk 1406 optimal weight: 1.9990 chunk 1216 optimal weight: 5.9990 chunk 126 optimal weight: 5.9990 chunk 940 optimal weight: 30.0000 chunk 746 optimal weight: 0.9990 overall best weight: 4.1990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: a 178 GLN b 83 ASN b 178 GLN d 178 GLN ** d 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 178 GLN f 68 GLN ** f 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 178 GLN g 68 GLN g 83 ASN g 178 GLN h 83 ASN h 178 GLN i 68 GLN i 83 ASN j 83 ASN j 99 GLN j 178 GLN k 83 ASN k 178 GLN l 83 ASN l 178 GLN ** l 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 178 GLN ** n 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 68 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 83 ASN ** o 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 178 GLN q 178 GLN ** r 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 178 GLN s 83 ASN ** s 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 178 GLN t 68 GLN t 83 ASN t 178 GLN u 68 GLN u 83 ASN u 178 GLN v 68 GLN v 83 ASN ** v 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 83 ASN w 178 GLN x 83 ASN x 178 GLN y 83 ASN y 178 GLN ** y 336 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 178 GLN F 217 GLN K 168 GLN Total number of N/Q/H flips: 45 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8522 moved from start: 0.2410 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 0.054 122096 Z= 0.321 Angle : 0.646 10.956 165256 Z= 0.329 Chirality : 0.047 0.159 19318 Planarity : 0.004 0.051 21580 Dihedral : 13.003 118.482 18850 Min Nonbonded Distance : 2.034 Molprobity Statistics. All-atom Clashscore : 8.05 Ramachandran Plot: Outliers : 0.00 % Allowed : 8.34 % Favored : 91.66 % Rotamer Outliers : 3.46 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.01 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.15 (0.07), residues: 15366 helix: 2.14 (0.10), residues: 2678 sheet: 0.40 (0.08), residues: 4550 loop : -1.21 (0.07), residues: 8138 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30732 Ramachandran restraints generated. 15366 Oldfield, 0 Emsley, 15366 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30732 Ramachandran restraints generated. 15366 Oldfield, 0 Emsley, 15366 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1769 residues out of total 12818 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 443 poor density : 1326 time to evaluate : 10.160 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 443 outliers final: 376 residues processed: 1751 average time/residue: 1.8675 time to fit residues: 4677.6695 Evaluate side-chains 1697 residues out of total 12818 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 376 poor density : 1321 time to evaluate : 10.007 Switching outliers to nearest non-outliers outliers start: 376 outliers final: 374 residues processed: 3 average time/residue: 1.7914 time to fit residues: 20.7570 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1534 random chunks: chunk 966 optimal weight: 0.0030 chunk 1296 optimal weight: 4.9990 chunk 372 optimal weight: 0.9990 chunk 1122 optimal weight: 3.9990 chunk 179 optimal weight: 10.0000 chunk 338 optimal weight: 3.9990 chunk 1218 optimal weight: 0.9990 chunk 510 optimal weight: 0.9990 chunk 1251 optimal weight: 5.9990 chunk 154 optimal weight: 0.0470 chunk 224 optimal weight: 9.9990 overall best weight: 0.6094 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 217 GLN a 178 GLN ** b 68 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 83 ASN b 178 GLN c 68 GLN c 178 GLN d 178 GLN e 178 GLN ** f 68 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 178 GLN ** g 68 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 83 ASN g 178 GLN h 83 ASN h 178 GLN i 68 GLN i 83 ASN i 178 GLN j 83 ASN j 178 GLN k 83 ASN k 178 GLN l 83 ASN l 178 GLN m 83 ASN m 178 GLN n 68 GLN ** n 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 68 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 83 ASN ** o 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 178 GLN p 68 GLN p 178 GLN q 178 GLN ** r 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 178 GLN s 83 ASN s 178 GLN t 83 ASN t 178 GLN u 68 GLN u 83 ASN u 178 GLN v 68 GLN v 83 ASN ** v 99 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 178 GLN w 83 ASN w 178 GLN x 83 ASN x 178 GLN y 178 GLN z 83 ASN z 178 GLN K 168 GLN K 217 GLN M 217 GLN P 217 GLN S 217 GLN T 217 GLN W 217 GLN X 217 GLN Total number of N/Q/H flips: 56 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3778 r_free = 0.3778 target = 0.121507 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 49)----------------| | r_work = 0.3300 r_free = 0.3300 target = 0.088001 restraints weight = 179172.797| |-----------------------------------------------------------------------------| r_work (start): 0.3265 rms_B_bonded: 1.99 r_work: 0.3154 rms_B_bonded: 2.53 restraints_weight: 0.5000 r_work: 0.3041 rms_B_bonded: 3.95 restraints_weight: 0.2500 r_work (final): 0.3041 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8709 moved from start: 0.2280 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.002 0.040 122096 Z= 0.147 Angle : 0.546 10.800 165256 Z= 0.279 Chirality : 0.044 0.138 19318 Planarity : 0.004 0.050 21580 Dihedral : 12.327 117.895 18850 Min Nonbonded Distance : 2.143 Molprobity Statistics. All-atom Clashscore : 8.93 Ramachandran Plot: Outliers : 0.00 % Allowed : 7.12 % Favored : 92.88 % Rotamer Outliers : 3.24 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.12 (0.07), residues: 15366 helix: 2.32 (0.10), residues: 2678 sheet: 0.27 (0.08), residues: 4602 loop : -1.15 (0.07), residues: 8086 =============================================================================== Job complete usr+sys time: 62128.98 seconds wall clock time: 1065 minutes 57.48 seconds (63957.48 seconds total)