Starting phenix.real_space_refine on Fri Dec 8 09:59:47 2023 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8uh4_42246/12_2023/8uh4_42246.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8uh4_42246/12_2023/8uh4_42246.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=3.72 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8uh4_42246/12_2023/8uh4_42246.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8uh4_42246/12_2023/8uh4_42246.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8uh4_42246/12_2023/8uh4_42246.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8uh4_42246/12_2023/8uh4_42246.pdb" } resolution = 3.72 write_initial_geo_file = False refinement { macro_cycles = 10 } qi { qm_restraints { package { program = *test } } } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= 0.000 sd= 1.000 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Set scattering table Set to: electron Number of scattering types: 5 Type Number sf(0) Gaussians P 540 5.49 5 S 480 5.16 5 C 67920 2.51 5 N 19980 2.21 5 O 21180 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A ARG 69": "NH1" <-> "NH2" Residue "A TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 100": "NH1" <-> "NH2" Residue "A TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 145": "NH1" <-> "NH2" Residue "A ARG 156": "NH1" <-> "NH2" Residue "A PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 197": "NH1" <-> "NH2" Residue "A ARG 213": "NH1" <-> "NH2" Residue "A ARG 235": "NH1" <-> "NH2" Residue "A TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ARG 69": "NH1" <-> "NH2" Residue "B TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ARG 100": "NH1" <-> "NH2" Residue "B TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ARG 145": "NH1" <-> "NH2" Residue "B ARG 156": "NH1" <-> "NH2" Residue "B PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ARG 197": "NH1" <-> "NH2" Residue "B ARG 213": "NH1" <-> "NH2" Residue "B ARG 235": "NH1" <-> "NH2" Residue "B TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ARG 69": "NH1" <-> "NH2" Residue "C TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ARG 100": "NH1" <-> "NH2" Residue "C TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ARG 145": "NH1" <-> "NH2" Residue "C ARG 156": "NH1" <-> "NH2" Residue "C PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ARG 197": "NH1" <-> "NH2" Residue "C ARG 213": "NH1" <-> "NH2" Residue "C ARG 235": "NH1" <-> "NH2" Residue "C TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ARG 69": "NH1" <-> "NH2" Residue "D TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ARG 100": "NH1" <-> "NH2" Residue "D TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ARG 145": "NH1" <-> "NH2" Residue "D ARG 156": "NH1" <-> "NH2" Residue "D PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ARG 197": "NH1" <-> "NH2" Residue "D ARG 213": "NH1" <-> "NH2" Residue "D ARG 235": "NH1" <-> "NH2" Residue "D TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ARG 69": "NH1" <-> "NH2" Residue "E TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ARG 100": "NH1" <-> "NH2" Residue "E TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ARG 145": "NH1" <-> "NH2" Residue "E ARG 156": "NH1" <-> "NH2" Residue "E PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ARG 197": "NH1" <-> "NH2" Residue "E ARG 213": "NH1" <-> "NH2" Residue "E ARG 235": "NH1" <-> "NH2" Residue "E TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ARG 69": "NH1" <-> "NH2" Residue "F TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ARG 100": "NH1" <-> "NH2" Residue "F TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ARG 145": "NH1" <-> "NH2" Residue "F ARG 156": "NH1" <-> "NH2" Residue "F PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ARG 197": "NH1" <-> "NH2" Residue "F ARG 213": "NH1" <-> "NH2" Residue "F ARG 235": "NH1" <-> "NH2" Residue "F TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 69": "NH1" <-> "NH2" Residue "G TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 100": "NH1" <-> "NH2" Residue "G TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 145": "NH1" <-> "NH2" Residue "G ARG 156": "NH1" <-> "NH2" Residue "G PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 197": "NH1" <-> "NH2" Residue "G ARG 213": "NH1" <-> "NH2" Residue "G ARG 235": "NH1" <-> "NH2" Residue "G TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H ARG 69": "NH1" <-> "NH2" Residue "H TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H ARG 100": "NH1" <-> "NH2" Residue "H TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H ARG 145": "NH1" <-> "NH2" Residue "H ARG 156": "NH1" <-> "NH2" Residue "H PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H ARG 197": "NH1" <-> "NH2" Residue "H ARG 213": "NH1" <-> "NH2" Residue "H ARG 235": "NH1" <-> "NH2" Residue "H TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ARG 69": "NH1" <-> "NH2" Residue "I TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ARG 100": "NH1" <-> "NH2" Residue "I TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ARG 145": "NH1" <-> "NH2" Residue "I ARG 156": "NH1" <-> "NH2" Residue "I PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ARG 197": "NH1" <-> "NH2" Residue "I ARG 213": "NH1" <-> "NH2" Residue "I ARG 235": "NH1" <-> "NH2" Residue "I TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ARG 69": "NH1" <-> "NH2" Residue "J TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ARG 100": "NH1" <-> "NH2" Residue "J TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ARG 145": "NH1" <-> "NH2" Residue "J ARG 156": "NH1" <-> "NH2" Residue "J PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ARG 197": "NH1" <-> "NH2" Residue "J ARG 213": "NH1" <-> "NH2" Residue "J ARG 235": "NH1" <-> "NH2" Residue "J TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ARG 69": "NH1" <-> "NH2" Residue "K TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ARG 100": "NH1" <-> "NH2" Residue "K TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ARG 145": "NH1" <-> "NH2" Residue "K ARG 156": "NH1" <-> "NH2" Residue "K PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ARG 197": "NH1" <-> "NH2" Residue "K ARG 213": "NH1" <-> "NH2" Residue "K ARG 235": "NH1" <-> "NH2" Residue "K TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ARG 69": "NH1" <-> "NH2" Residue "L TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ARG 100": "NH1" <-> "NH2" Residue "L TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ARG 145": "NH1" <-> "NH2" Residue "L ARG 156": "NH1" <-> "NH2" Residue "L PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ARG 197": "NH1" <-> "NH2" Residue "L ARG 213": "NH1" <-> "NH2" Residue "L ARG 235": "NH1" <-> "NH2" Residue "L TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ARG 69": "NH1" <-> "NH2" Residue "M TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ARG 100": "NH1" <-> "NH2" Residue "M TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ARG 145": "NH1" <-> "NH2" Residue "M ARG 156": "NH1" <-> "NH2" Residue "M PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ARG 197": "NH1" <-> "NH2" Residue "M ARG 213": "NH1" <-> "NH2" Residue "M ARG 235": "NH1" <-> "NH2" Residue "M TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ARG 69": "NH1" <-> "NH2" Residue "N TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ARG 100": "NH1" <-> "NH2" Residue "N TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ARG 145": "NH1" <-> "NH2" Residue "N ARG 156": "NH1" <-> "NH2" Residue "N PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ARG 197": "NH1" <-> "NH2" Residue "N ARG 213": "NH1" <-> "NH2" Residue "N ARG 235": "NH1" <-> "NH2" Residue "N TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ARG 69": "NH1" <-> "NH2" Residue "O TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ARG 100": "NH1" <-> "NH2" Residue "O TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ARG 145": "NH1" <-> "NH2" Residue "O ARG 156": "NH1" <-> "NH2" Residue "O PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ARG 197": "NH1" <-> "NH2" Residue "O ARG 213": "NH1" <-> "NH2" Residue "O ARG 235": "NH1" <-> "NH2" Residue "O TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ARG 69": "NH1" <-> "NH2" Residue "P TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ARG 100": "NH1" <-> "NH2" Residue "P TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ARG 145": "NH1" <-> "NH2" Residue "P ARG 156": "NH1" <-> "NH2" Residue "P PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ARG 197": "NH1" <-> "NH2" Residue "P ARG 213": "NH1" <-> "NH2" Residue "P ARG 235": "NH1" <-> "NH2" Residue "P TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q ARG 69": "NH1" <-> "NH2" Residue "Q TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q ARG 100": "NH1" <-> "NH2" Residue "Q TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q ARG 145": "NH1" <-> "NH2" Residue "Q ARG 156": "NH1" <-> "NH2" Residue "Q PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q ARG 197": "NH1" <-> "NH2" Residue "Q ARG 213": "NH1" <-> "NH2" Residue "Q ARG 235": "NH1" <-> "NH2" Residue "Q TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R ARG 69": "NH1" <-> "NH2" Residue "R TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R ARG 100": "NH1" <-> "NH2" Residue "R TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R ARG 145": "NH1" <-> "NH2" Residue "R ARG 156": "NH1" <-> "NH2" Residue "R PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R ARG 197": "NH1" <-> "NH2" Residue "R ARG 213": "NH1" <-> "NH2" Residue "R ARG 235": "NH1" <-> "NH2" Residue "R TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S ARG 69": "NH1" <-> "NH2" Residue "S TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S ARG 100": "NH1" <-> "NH2" Residue "S TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S ARG 145": "NH1" <-> "NH2" Residue "S ARG 156": "NH1" <-> "NH2" Residue "S PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S ARG 197": "NH1" <-> "NH2" Residue "S ARG 213": "NH1" <-> "NH2" Residue "S ARG 235": "NH1" <-> "NH2" Residue "S TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T ARG 69": "NH1" <-> "NH2" Residue "T TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T ARG 100": "NH1" <-> "NH2" Residue "T TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T ARG 145": "NH1" <-> "NH2" Residue "T ARG 156": "NH1" <-> "NH2" Residue "T PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T ARG 197": "NH1" <-> "NH2" Residue "T ARG 213": "NH1" <-> "NH2" Residue "T ARG 235": "NH1" <-> "NH2" Residue "T TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U ARG 69": "NH1" <-> "NH2" Residue "U TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U ARG 100": "NH1" <-> "NH2" Residue "U TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U ARG 145": "NH1" <-> "NH2" Residue "U ARG 156": "NH1" <-> "NH2" Residue "U PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U ARG 197": "NH1" <-> "NH2" Residue "U ARG 213": "NH1" <-> "NH2" Residue "U ARG 235": "NH1" <-> "NH2" Residue "U TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V ARG 69": "NH1" <-> "NH2" Residue "V TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V ARG 100": "NH1" <-> "NH2" Residue "V TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V ARG 145": "NH1" <-> "NH2" Residue "V ARG 156": "NH1" <-> "NH2" Residue "V PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V ARG 197": "NH1" <-> "NH2" Residue "V ARG 213": "NH1" <-> "NH2" Residue "V ARG 235": "NH1" <-> "NH2" Residue "V TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W ARG 69": "NH1" <-> "NH2" Residue "W TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W ARG 100": "NH1" <-> "NH2" Residue "W TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W ARG 145": "NH1" <-> "NH2" Residue "W ARG 156": "NH1" <-> "NH2" Residue "W PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W ARG 197": "NH1" <-> "NH2" Residue "W ARG 213": "NH1" <-> "NH2" Residue "W ARG 235": "NH1" <-> "NH2" Residue "W TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X ARG 69": "NH1" <-> "NH2" Residue "X TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X ARG 100": "NH1" <-> "NH2" Residue "X TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X ARG 145": "NH1" <-> "NH2" Residue "X ARG 156": "NH1" <-> "NH2" Residue "X PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X ARG 197": "NH1" <-> "NH2" Residue "X ARG 213": "NH1" <-> "NH2" Residue "X ARG 235": "NH1" <-> "NH2" Residue "X TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y ARG 69": "NH1" <-> "NH2" Residue "Y TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y ARG 100": "NH1" <-> "NH2" Residue "Y TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y ARG 145": "NH1" <-> "NH2" Residue "Y ARG 156": "NH1" <-> "NH2" Residue "Y PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y ARG 197": "NH1" <-> "NH2" Residue "Y ARG 213": "NH1" <-> "NH2" Residue "Y ARG 235": "NH1" <-> "NH2" Residue "Y TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z ARG 69": "NH1" <-> "NH2" Residue "Z TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z ARG 100": "NH1" <-> "NH2" Residue "Z TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z ARG 145": "NH1" <-> "NH2" Residue "Z ARG 156": "NH1" <-> "NH2" Residue "Z PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z ARG 197": "NH1" <-> "NH2" Residue "Z ARG 213": "NH1" <-> "NH2" Residue "Z ARG 235": "NH1" <-> "NH2" Residue "Z TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a ARG 69": "NH1" <-> "NH2" Residue "a TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a ARG 100": "NH1" <-> "NH2" Residue "a TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a ARG 145": "NH1" <-> "NH2" Residue "a ARG 156": "NH1" <-> "NH2" Residue "a PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a ARG 197": "NH1" <-> "NH2" Residue "a ARG 213": "NH1" <-> "NH2" Residue "a ARG 235": "NH1" <-> "NH2" Residue "a TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b ARG 69": "NH1" <-> "NH2" Residue "b TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b ARG 100": "NH1" <-> "NH2" Residue "b TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b ARG 145": "NH1" <-> "NH2" Residue "b ARG 156": "NH1" <-> "NH2" Residue "b PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b ARG 197": "NH1" <-> "NH2" Residue "b ARG 213": "NH1" <-> "NH2" Residue "b ARG 235": "NH1" <-> "NH2" Residue "b TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c ARG 69": "NH1" <-> "NH2" Residue "c TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c ARG 100": "NH1" <-> "NH2" Residue "c TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c ARG 145": "NH1" <-> "NH2" Residue "c ARG 156": "NH1" <-> "NH2" Residue "c PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c ARG 197": "NH1" <-> "NH2" Residue "c ARG 213": "NH1" <-> "NH2" Residue "c ARG 235": "NH1" <-> "NH2" Residue "c TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d ARG 69": "NH1" <-> "NH2" Residue "d TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d ARG 100": "NH1" <-> "NH2" Residue "d TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d ARG 145": "NH1" <-> "NH2" Residue "d ARG 156": "NH1" <-> "NH2" Residue "d PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d ARG 197": "NH1" <-> "NH2" Residue "d ARG 213": "NH1" <-> "NH2" Residue "d ARG 235": "NH1" <-> "NH2" Residue "d TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e ARG 69": "NH1" <-> "NH2" Residue "e TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e ARG 100": "NH1" <-> "NH2" Residue "e TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e ARG 145": "NH1" <-> "NH2" Residue "e ARG 156": "NH1" <-> "NH2" Residue "e PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e ARG 197": "NH1" <-> "NH2" Residue "e ARG 213": "NH1" <-> "NH2" Residue "e ARG 235": "NH1" <-> "NH2" Residue "e TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f ARG 69": "NH1" <-> "NH2" Residue "f TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f ARG 100": "NH1" <-> "NH2" Residue "f TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f ARG 145": "NH1" <-> "NH2" Residue "f ARG 156": "NH1" <-> "NH2" Residue "f PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f ARG 197": "NH1" <-> "NH2" Residue "f ARG 213": "NH1" <-> "NH2" Residue "f ARG 235": "NH1" <-> "NH2" Residue "f TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g ARG 69": "NH1" <-> "NH2" Residue "g TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g ARG 100": "NH1" <-> "NH2" Residue "g TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g ARG 145": "NH1" <-> "NH2" Residue "g ARG 156": "NH1" <-> "NH2" Residue "g PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g ARG 197": "NH1" <-> "NH2" Residue "g ARG 213": "NH1" <-> "NH2" Residue "g ARG 235": "NH1" <-> "NH2" Residue "g TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h ARG 69": "NH1" <-> "NH2" Residue "h TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h ARG 100": "NH1" <-> "NH2" Residue "h TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h ARG 145": "NH1" <-> "NH2" Residue "h ARG 156": "NH1" <-> "NH2" Residue "h PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h ARG 197": "NH1" <-> "NH2" Residue "h ARG 213": "NH1" <-> "NH2" Residue "h ARG 235": "NH1" <-> "NH2" Residue "h TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i ARG 69": "NH1" <-> "NH2" Residue "i TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i ARG 100": "NH1" <-> "NH2" Residue "i TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i ARG 145": "NH1" <-> "NH2" Residue "i ARG 156": "NH1" <-> "NH2" Residue "i PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i ARG 197": "NH1" <-> "NH2" Residue "i ARG 213": "NH1" <-> "NH2" Residue "i ARG 235": "NH1" <-> "NH2" Residue "i TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j ARG 69": "NH1" <-> "NH2" Residue "j TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j ARG 100": "NH1" <-> "NH2" Residue "j TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j ARG 145": "NH1" <-> "NH2" Residue "j ARG 156": "NH1" <-> "NH2" Residue "j PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j ARG 197": "NH1" <-> "NH2" Residue "j ARG 213": "NH1" <-> "NH2" Residue "j ARG 235": "NH1" <-> "NH2" Residue "j TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k ARG 69": "NH1" <-> "NH2" Residue "k TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k ARG 100": "NH1" <-> "NH2" Residue "k TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k ARG 145": "NH1" <-> "NH2" Residue "k ARG 156": "NH1" <-> "NH2" Residue "k PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k ARG 197": "NH1" <-> "NH2" Residue "k ARG 213": "NH1" <-> "NH2" Residue "k ARG 235": "NH1" <-> "NH2" Residue "k TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l ARG 69": "NH1" <-> "NH2" Residue "l TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l ARG 100": "NH1" <-> "NH2" Residue "l TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l ARG 145": "NH1" <-> "NH2" Residue "l ARG 156": "NH1" <-> "NH2" Residue "l PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l ARG 197": "NH1" <-> "NH2" Residue "l ARG 213": "NH1" <-> "NH2" Residue "l ARG 235": "NH1" <-> "NH2" Residue "l TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m ARG 69": "NH1" <-> "NH2" Residue "m TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m ARG 100": "NH1" <-> "NH2" Residue "m TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m ARG 145": "NH1" <-> "NH2" Residue "m ARG 156": "NH1" <-> "NH2" Residue "m PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m ARG 197": "NH1" <-> "NH2" Residue "m ARG 213": "NH1" <-> "NH2" Residue "m ARG 235": "NH1" <-> "NH2" Residue "m TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n ARG 69": "NH1" <-> "NH2" Residue "n TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n ARG 100": "NH1" <-> "NH2" Residue "n TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n ARG 145": "NH1" <-> "NH2" Residue "n ARG 156": "NH1" <-> "NH2" Residue "n PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n ARG 197": "NH1" <-> "NH2" Residue "n ARG 213": "NH1" <-> "NH2" Residue "n ARG 235": "NH1" <-> "NH2" Residue "n TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o ARG 69": "NH1" <-> "NH2" Residue "o TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o ARG 100": "NH1" <-> "NH2" Residue "o TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o ARG 145": "NH1" <-> "NH2" Residue "o ARG 156": "NH1" <-> "NH2" Residue "o PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o ARG 197": "NH1" <-> "NH2" Residue "o ARG 213": "NH1" <-> "NH2" Residue "o ARG 235": "NH1" <-> "NH2" Residue "o TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p ARG 69": "NH1" <-> "NH2" Residue "p TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p ARG 100": "NH1" <-> "NH2" Residue "p TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p ARG 145": "NH1" <-> "NH2" Residue "p ARG 156": "NH1" <-> "NH2" Residue "p PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p ARG 197": "NH1" <-> "NH2" Residue "p ARG 213": "NH1" <-> "NH2" Residue "p ARG 235": "NH1" <-> "NH2" Residue "p TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q ARG 69": "NH1" <-> "NH2" Residue "q TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q ARG 100": "NH1" <-> "NH2" Residue "q TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q ARG 145": "NH1" <-> "NH2" Residue "q ARG 156": "NH1" <-> "NH2" Residue "q PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q ARG 197": "NH1" <-> "NH2" Residue "q ARG 213": "NH1" <-> "NH2" Residue "q ARG 235": "NH1" <-> "NH2" Residue "q TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r ARG 69": "NH1" <-> "NH2" Residue "r TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r ARG 100": "NH1" <-> "NH2" Residue "r TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r ARG 145": "NH1" <-> "NH2" Residue "r ARG 156": "NH1" <-> "NH2" Residue "r PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r ARG 197": "NH1" <-> "NH2" Residue "r ARG 213": "NH1" <-> "NH2" Residue "r ARG 235": "NH1" <-> "NH2" Residue "r TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s ARG 69": "NH1" <-> "NH2" Residue "s TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s ARG 100": "NH1" <-> "NH2" Residue "s TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s ARG 145": "NH1" <-> "NH2" Residue "s ARG 156": "NH1" <-> "NH2" Residue "s PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s ARG 197": "NH1" <-> "NH2" Residue "s ARG 213": "NH1" <-> "NH2" Residue "s ARG 235": "NH1" <-> "NH2" Residue "s TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t ARG 69": "NH1" <-> "NH2" Residue "t TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t ARG 100": "NH1" <-> "NH2" Residue "t TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t ARG 145": "NH1" <-> "NH2" Residue "t ARG 156": "NH1" <-> "NH2" Residue "t PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t ARG 197": "NH1" <-> "NH2" Residue "t ARG 213": "NH1" <-> "NH2" Residue "t ARG 235": "NH1" <-> "NH2" Residue "t TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u ARG 69": "NH1" <-> "NH2" Residue "u TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u ARG 100": "NH1" <-> "NH2" Residue "u TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u ARG 145": "NH1" <-> "NH2" Residue "u ARG 156": "NH1" <-> "NH2" Residue "u PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u ARG 197": "NH1" <-> "NH2" Residue "u ARG 213": "NH1" <-> "NH2" Residue "u ARG 235": "NH1" <-> "NH2" Residue "u TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v ARG 69": "NH1" <-> "NH2" Residue "v TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v ARG 100": "NH1" <-> "NH2" Residue "v TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v ARG 145": "NH1" <-> "NH2" Residue "v ARG 156": "NH1" <-> "NH2" Residue "v PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v ARG 197": "NH1" <-> "NH2" Residue "v ARG 213": "NH1" <-> "NH2" Residue "v ARG 235": "NH1" <-> "NH2" Residue "v TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w ARG 69": "NH1" <-> "NH2" Residue "w TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w ARG 100": "NH1" <-> "NH2" Residue "w TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w ARG 145": "NH1" <-> "NH2" Residue "w ARG 156": "NH1" <-> "NH2" Residue "w PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w ARG 197": "NH1" <-> "NH2" Residue "w ARG 213": "NH1" <-> "NH2" Residue "w ARG 235": "NH1" <-> "NH2" Residue "w TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x ARG 69": "NH1" <-> "NH2" Residue "x TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x ARG 100": "NH1" <-> "NH2" Residue "x TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x ARG 145": "NH1" <-> "NH2" Residue "x ARG 156": "NH1" <-> "NH2" Residue "x PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x ARG 197": "NH1" <-> "NH2" Residue "x ARG 213": "NH1" <-> "NH2" Residue "x ARG 235": "NH1" <-> "NH2" Residue "x TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y ARG 69": "NH1" <-> "NH2" Residue "y TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y ARG 100": "NH1" <-> "NH2" Residue "y TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y ARG 145": "NH1" <-> "NH2" Residue "y ARG 156": "NH1" <-> "NH2" Residue "y PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y ARG 197": "NH1" <-> "NH2" Residue "y ARG 213": "NH1" <-> "NH2" Residue "y ARG 235": "NH1" <-> "NH2" Residue "y TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z ARG 69": "NH1" <-> "NH2" Residue "z TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z ARG 100": "NH1" <-> "NH2" Residue "z TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z ARG 145": "NH1" <-> "NH2" Residue "z ARG 156": "NH1" <-> "NH2" Residue "z PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z ARG 197": "NH1" <-> "NH2" Residue "z ARG 213": "NH1" <-> "NH2" Residue "z ARG 235": "NH1" <-> "NH2" Residue "z TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ARG 69": "NH1" <-> "NH2" Residue "1 TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ARG 100": "NH1" <-> "NH2" Residue "1 TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ARG 145": "NH1" <-> "NH2" Residue "1 ARG 156": "NH1" <-> "NH2" Residue "1 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ARG 197": "NH1" <-> "NH2" Residue "1 ARG 213": "NH1" <-> "NH2" Residue "1 ARG 235": "NH1" <-> "NH2" Residue "1 TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 ARG 69": "NH1" <-> "NH2" Residue "2 TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 ARG 100": "NH1" <-> "NH2" Residue "2 TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 ARG 145": "NH1" <-> "NH2" Residue "2 ARG 156": "NH1" <-> "NH2" Residue "2 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 ARG 197": "NH1" <-> "NH2" Residue "2 ARG 213": "NH1" <-> "NH2" Residue "2 ARG 235": "NH1" <-> "NH2" Residue "2 TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ARG 69": "NH1" <-> "NH2" Residue "3 TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ARG 100": "NH1" <-> "NH2" Residue "3 TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ARG 145": "NH1" <-> "NH2" Residue "3 ARG 156": "NH1" <-> "NH2" Residue "3 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ARG 197": "NH1" <-> "NH2" Residue "3 ARG 213": "NH1" <-> "NH2" Residue "3 ARG 235": "NH1" <-> "NH2" Residue "3 TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 ARG 69": "NH1" <-> "NH2" Residue "4 TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 ARG 100": "NH1" <-> "NH2" Residue "4 TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 ARG 145": "NH1" <-> "NH2" Residue "4 ARG 156": "NH1" <-> "NH2" Residue "4 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 ARG 197": "NH1" <-> "NH2" Residue "4 ARG 213": "NH1" <-> "NH2" Residue "4 ARG 235": "NH1" <-> "NH2" Residue "4 TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 ARG 69": "NH1" <-> "NH2" Residue "5 TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 ARG 100": "NH1" <-> "NH2" Residue "5 TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 ARG 145": "NH1" <-> "NH2" Residue "5 ARG 156": "NH1" <-> "NH2" Residue "5 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 ARG 197": "NH1" <-> "NH2" Residue "5 ARG 213": "NH1" <-> "NH2" Residue "5 ARG 235": "NH1" <-> "NH2" Residue "5 TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 ARG 69": "NH1" <-> "NH2" Residue "6 TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 ARG 100": "NH1" <-> "NH2" Residue "6 TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 ARG 145": "NH1" <-> "NH2" Residue "6 ARG 156": "NH1" <-> "NH2" Residue "6 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 ARG 197": "NH1" <-> "NH2" Residue "6 ARG 213": "NH1" <-> "NH2" Residue "6 ARG 235": "NH1" <-> "NH2" Residue "6 TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 ARG 69": "NH1" <-> "NH2" Residue "7 TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 ARG 100": "NH1" <-> "NH2" Residue "7 TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 ARG 145": "NH1" <-> "NH2" Residue "7 ARG 156": "NH1" <-> "NH2" Residue "7 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 ARG 197": "NH1" <-> "NH2" Residue "7 ARG 213": "NH1" <-> "NH2" Residue "7 ARG 235": "NH1" <-> "NH2" Residue "7 TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 ARG 69": "NH1" <-> "NH2" Residue "8 TYR 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 ARG 100": "NH1" <-> "NH2" Residue "8 TYR 101": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 TYR 130": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 ARG 145": "NH1" <-> "NH2" Residue "8 ARG 156": "NH1" <-> "NH2" Residue "8 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 ARG 197": "NH1" <-> "NH2" Residue "8 ARG 213": "NH1" <-> "NH2" Residue "8 ARG 235": "NH1" <-> "NH2" Residue "8 TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Time to flip residues: 0.20s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/chem_data/mon_lib" Total number of atoms: 110100 Number of models: 1 Model: "" Number of chains: 120 Chain: "A" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "B" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "C" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "D" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "E" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "F" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "G" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "H" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "I" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "J" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "K" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "L" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "M" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "N" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "O" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "P" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "Q" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "R" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "S" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "T" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "U" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "V" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "W" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "X" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "Y" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "Z" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "a" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "b" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "c" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "d" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "e" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "f" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "g" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "h" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "i" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "j" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "k" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "l" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "m" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "n" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "o" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "p" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "q" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "r" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "s" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "t" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "u" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "v" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "w" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "x" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "y" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "z" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "1" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "2" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "3" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "4" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "5" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "6" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "7" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "8" Number of atoms: 1653 Number of conformers: 1 Conformer: "" Number of residues, atoms: 213, 1653 Classifications: {'peptide': 213} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 11, 'TRANS': 201} Chain: "AA" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "AB" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "AC" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "AD" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "AE" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "AF" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "AG" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "AH" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "AI" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "AJ" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "AK" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "AL" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "AM" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "AN" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "AO" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "AP" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "AQ" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "AR" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "AS" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "AT" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "AU" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "AV" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "AW" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "AX" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "AY" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "AZ" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "Aa" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "Ab" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "Ac" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "Ad" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "Ae" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "Af" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "Ag" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "Ah" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "Ai" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "Aj" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "Ak" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "Al" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "Am" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "An" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "Ao" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "Ap" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "Aq" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "Ar" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "As" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "At" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "Au" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "Av" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "Aw" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "Ax" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "Ay" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "Az" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "A1" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "A2" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "A3" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "A4" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "A5" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "A6" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "A7" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Chain: "A8" Number of atoms: 182 Number of conformers: 1 Conformer: "" Number of residues, atoms: 9, 182 Classifications: {'DNA': 9} Link IDs: {'rna3p': 8} Time building chain proxies: 40.12, per 1000 atoms: 0.36 Number of scatterers: 110100 At special positions: 0 Unit cell: (228.26, 228.26, 228.26, 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 480 16.00 P 540 15.00 O 21180 8.00 N 19980 7.00 C 67920 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=0, symmetry=0 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.50 Amino acid : False - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=0, symmetry=0 Time building additional restraints: 28.23 Conformation dependent library (CDL) restraints added in 13.1 seconds 25320 Ramachandran restraints generated. 12660 Oldfield, 0 Emsley, 12660 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 22920 Finding SS restraints... Secondary structure from input PDB file: 300 helices and 180 sheets defined 11.3% alpha, 47.9% beta 0 base pairs and 60 stacking pairs defined. Time for finding SS restraints: 24.24 Creating SS restraints... Processing helix chain 'A' and resid 96 through 99 Processing helix chain 'A' and resid 123 through 128 Processing helix chain 'A' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA A 136 " --> pdb=" O THR A 133 " (cutoff:3.500A) Processing helix chain 'A' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR A 140 " --> pdb=" O TRP A 137 " (cutoff:3.500A) Processing helix chain 'A' and resid 207 through 209 No H-bonds generated for 'chain 'A' and resid 207 through 209' Processing helix chain 'B' and resid 96 through 99 Processing helix chain 'B' and resid 123 through 128 Processing helix chain 'B' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA B 136 " --> pdb=" O THR B 133 " (cutoff:3.500A) Processing helix chain 'B' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR B 140 " --> pdb=" O TRP B 137 " (cutoff:3.500A) Processing helix chain 'B' and resid 207 through 209 No H-bonds generated for 'chain 'B' and resid 207 through 209' Processing helix chain 'C' and resid 96 through 99 Processing helix chain 'C' and resid 123 through 128 Processing helix chain 'C' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA C 136 " --> pdb=" O THR C 133 " (cutoff:3.500A) Processing helix chain 'C' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR C 140 " --> pdb=" O TRP C 137 " (cutoff:3.500A) Processing helix chain 'C' and resid 207 through 209 No H-bonds generated for 'chain 'C' and resid 207 through 209' Processing helix chain 'D' and resid 96 through 99 Processing helix chain 'D' and resid 123 through 128 Processing helix chain 'D' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA D 136 " --> pdb=" O THR D 133 " (cutoff:3.500A) Processing helix chain 'D' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR D 140 " --> pdb=" O TRP D 137 " (cutoff:3.500A) Processing helix chain 'D' and resid 207 through 209 No H-bonds generated for 'chain 'D' and resid 207 through 209' Processing helix chain 'E' and resid 96 through 99 Processing helix chain 'E' and resid 123 through 128 Processing helix chain 'E' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA E 136 " --> pdb=" O THR E 133 " (cutoff:3.500A) Processing helix chain 'E' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR E 140 " --> pdb=" O TRP E 137 " (cutoff:3.500A) Processing helix chain 'E' and resid 207 through 209 No H-bonds generated for 'chain 'E' and resid 207 through 209' Processing helix chain 'F' and resid 96 through 99 Processing helix chain 'F' and resid 123 through 128 Processing helix chain 'F' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA F 136 " --> pdb=" O THR F 133 " (cutoff:3.500A) Processing helix chain 'F' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR F 140 " --> pdb=" O TRP F 137 " (cutoff:3.500A) Processing helix chain 'F' and resid 207 through 209 No H-bonds generated for 'chain 'F' and resid 207 through 209' Processing helix chain 'G' and resid 96 through 99 Processing helix chain 'G' and resid 123 through 128 Processing helix chain 'G' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA G 136 " --> pdb=" O THR G 133 " (cutoff:3.500A) Processing helix chain 'G' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR G 140 " --> pdb=" O TRP G 137 " (cutoff:3.500A) Processing helix chain 'G' and resid 207 through 209 No H-bonds generated for 'chain 'G' and resid 207 through 209' Processing helix chain 'H' and resid 96 through 99 Processing helix chain 'H' and resid 123 through 128 Processing helix chain 'H' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA H 136 " --> pdb=" O THR H 133 " (cutoff:3.500A) Processing helix chain 'H' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR H 140 " --> pdb=" O TRP H 137 " (cutoff:3.500A) Processing helix chain 'H' and resid 207 through 209 No H-bonds generated for 'chain 'H' and resid 207 through 209' Processing helix chain 'I' and resid 96 through 99 Processing helix chain 'I' and resid 123 through 128 Processing helix chain 'I' and resid 131 through 136 removed outlier: 3.776A pdb=" N ALA I 136 " --> pdb=" O THR I 133 " (cutoff:3.500A) Processing helix chain 'I' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR I 140 " --> pdb=" O TRP I 137 " (cutoff:3.500A) Processing helix chain 'I' and resid 207 through 209 No H-bonds generated for 'chain 'I' and resid 207 through 209' Processing helix chain 'J' and resid 96 through 99 Processing helix chain 'J' and resid 123 through 128 Processing helix chain 'J' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA J 136 " --> pdb=" O THR J 133 " (cutoff:3.500A) Processing helix chain 'J' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR J 140 " --> pdb=" O TRP J 137 " (cutoff:3.500A) Processing helix chain 'J' and resid 207 through 209 No H-bonds generated for 'chain 'J' and resid 207 through 209' Processing helix chain 'K' and resid 96 through 99 Processing helix chain 'K' and resid 123 through 128 Processing helix chain 'K' and resid 131 through 136 removed outlier: 3.778A pdb=" N ALA K 136 " --> pdb=" O THR K 133 " (cutoff:3.500A) Processing helix chain 'K' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR K 140 " --> pdb=" O TRP K 137 " (cutoff:3.500A) Processing helix chain 'K' and resid 207 through 209 No H-bonds generated for 'chain 'K' and resid 207 through 209' Processing helix chain 'L' and resid 96 through 99 Processing helix chain 'L' and resid 123 through 128 Processing helix chain 'L' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA L 136 " --> pdb=" O THR L 133 " (cutoff:3.500A) Processing helix chain 'L' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR L 140 " --> pdb=" O TRP L 137 " (cutoff:3.500A) Processing helix chain 'L' and resid 207 through 209 No H-bonds generated for 'chain 'L' and resid 207 through 209' Processing helix chain 'M' and resid 96 through 99 Processing helix chain 'M' and resid 123 through 128 Processing helix chain 'M' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA M 136 " --> pdb=" O THR M 133 " (cutoff:3.500A) Processing helix chain 'M' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR M 140 " --> pdb=" O TRP M 137 " (cutoff:3.500A) Processing helix chain 'M' and resid 207 through 209 No H-bonds generated for 'chain 'M' and resid 207 through 209' Processing helix chain 'N' and resid 96 through 99 Processing helix chain 'N' and resid 123 through 128 Processing helix chain 'N' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA N 136 " --> pdb=" O THR N 133 " (cutoff:3.500A) Processing helix chain 'N' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR N 140 " --> pdb=" O TRP N 137 " (cutoff:3.500A) Processing helix chain 'N' and resid 207 through 209 No H-bonds generated for 'chain 'N' and resid 207 through 209' Processing helix chain 'O' and resid 96 through 99 Processing helix chain 'O' and resid 123 through 128 Processing helix chain 'O' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA O 136 " --> pdb=" O THR O 133 " (cutoff:3.500A) Processing helix chain 'O' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR O 140 " --> pdb=" O TRP O 137 " (cutoff:3.500A) Processing helix chain 'O' and resid 207 through 209 No H-bonds generated for 'chain 'O' and resid 207 through 209' Processing helix chain 'P' and resid 96 through 99 Processing helix chain 'P' and resid 123 through 128 Processing helix chain 'P' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA P 136 " --> pdb=" O THR P 133 " (cutoff:3.500A) Processing helix chain 'P' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR P 140 " --> pdb=" O TRP P 137 " (cutoff:3.500A) Processing helix chain 'P' and resid 207 through 209 No H-bonds generated for 'chain 'P' and resid 207 through 209' Processing helix chain 'Q' and resid 96 through 99 Processing helix chain 'Q' and resid 123 through 128 Processing helix chain 'Q' and resid 131 through 136 removed outlier: 3.776A pdb=" N ALA Q 136 " --> pdb=" O THR Q 133 " (cutoff:3.500A) Processing helix chain 'Q' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR Q 140 " --> pdb=" O TRP Q 137 " (cutoff:3.500A) Processing helix chain 'Q' and resid 207 through 209 No H-bonds generated for 'chain 'Q' and resid 207 through 209' Processing helix chain 'R' and resid 96 through 99 Processing helix chain 'R' and resid 123 through 128 Processing helix chain 'R' and resid 131 through 136 removed outlier: 3.776A pdb=" N ALA R 136 " --> pdb=" O THR R 133 " (cutoff:3.500A) Processing helix chain 'R' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR R 140 " --> pdb=" O TRP R 137 " (cutoff:3.500A) Processing helix chain 'R' and resid 207 through 209 No H-bonds generated for 'chain 'R' and resid 207 through 209' Processing helix chain 'S' and resid 96 through 99 Processing helix chain 'S' and resid 123 through 128 Processing helix chain 'S' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA S 136 " --> pdb=" O THR S 133 " (cutoff:3.500A) Processing helix chain 'S' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR S 140 " --> pdb=" O TRP S 137 " (cutoff:3.500A) Processing helix chain 'S' and resid 207 through 209 No H-bonds generated for 'chain 'S' and resid 207 through 209' Processing helix chain 'T' and resid 96 through 99 Processing helix chain 'T' and resid 123 through 128 Processing helix chain 'T' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA T 136 " --> pdb=" O THR T 133 " (cutoff:3.500A) Processing helix chain 'T' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR T 140 " --> pdb=" O TRP T 137 " (cutoff:3.500A) Processing helix chain 'T' and resid 207 through 209 No H-bonds generated for 'chain 'T' and resid 207 through 209' Processing helix chain 'U' and resid 96 through 99 Processing helix chain 'U' and resid 123 through 128 Processing helix chain 'U' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA U 136 " --> pdb=" O THR U 133 " (cutoff:3.500A) Processing helix chain 'U' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR U 140 " --> pdb=" O TRP U 137 " (cutoff:3.500A) Processing helix chain 'U' and resid 207 through 209 No H-bonds generated for 'chain 'U' and resid 207 through 209' Processing helix chain 'V' and resid 96 through 99 Processing helix chain 'V' and resid 123 through 128 Processing helix chain 'V' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA V 136 " --> pdb=" O THR V 133 " (cutoff:3.500A) Processing helix chain 'V' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR V 140 " --> pdb=" O TRP V 137 " (cutoff:3.500A) Processing helix chain 'V' and resid 207 through 209 No H-bonds generated for 'chain 'V' and resid 207 through 209' Processing helix chain 'W' and resid 96 through 99 Processing helix chain 'W' and resid 123 through 128 Processing helix chain 'W' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA W 136 " --> pdb=" O THR W 133 " (cutoff:3.500A) Processing helix chain 'W' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR W 140 " --> pdb=" O TRP W 137 " (cutoff:3.500A) Processing helix chain 'W' and resid 207 through 209 No H-bonds generated for 'chain 'W' and resid 207 through 209' Processing helix chain 'X' and resid 96 through 99 Processing helix chain 'X' and resid 123 through 128 Processing helix chain 'X' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA X 136 " --> pdb=" O THR X 133 " (cutoff:3.500A) Processing helix chain 'X' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR X 140 " --> pdb=" O TRP X 137 " (cutoff:3.500A) Processing helix chain 'X' and resid 207 through 209 No H-bonds generated for 'chain 'X' and resid 207 through 209' Processing helix chain 'Y' and resid 96 through 99 Processing helix chain 'Y' and resid 123 through 128 Processing helix chain 'Y' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA Y 136 " --> pdb=" O THR Y 133 " (cutoff:3.500A) Processing helix chain 'Y' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR Y 140 " --> pdb=" O TRP Y 137 " (cutoff:3.500A) Processing helix chain 'Y' and resid 207 through 209 No H-bonds generated for 'chain 'Y' and resid 207 through 209' Processing helix chain 'Z' and resid 96 through 99 Processing helix chain 'Z' and resid 123 through 128 Processing helix chain 'Z' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA Z 136 " --> pdb=" O THR Z 133 " (cutoff:3.500A) Processing helix chain 'Z' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR Z 140 " --> pdb=" O TRP Z 137 " (cutoff:3.500A) Processing helix chain 'Z' and resid 207 through 209 No H-bonds generated for 'chain 'Z' and resid 207 through 209' Processing helix chain 'a' and resid 96 through 99 Processing helix chain 'a' and resid 123 through 128 Processing helix chain 'a' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA a 136 " --> pdb=" O THR a 133 " (cutoff:3.500A) Processing helix chain 'a' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR a 140 " --> pdb=" O TRP a 137 " (cutoff:3.500A) Processing helix chain 'a' and resid 207 through 209 No H-bonds generated for 'chain 'a' and resid 207 through 209' Processing helix chain 'b' and resid 96 through 99 Processing helix chain 'b' and resid 123 through 128 Processing helix chain 'b' and resid 131 through 136 removed outlier: 3.778A pdb=" N ALA b 136 " --> pdb=" O THR b 133 " (cutoff:3.500A) Processing helix chain 'b' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR b 140 " --> pdb=" O TRP b 137 " (cutoff:3.500A) Processing helix chain 'b' and resid 207 through 209 No H-bonds generated for 'chain 'b' and resid 207 through 209' Processing helix chain 'c' and resid 96 through 99 Processing helix chain 'c' and resid 123 through 128 Processing helix chain 'c' and resid 131 through 136 removed outlier: 3.778A pdb=" N ALA c 136 " --> pdb=" O THR c 133 " (cutoff:3.500A) Processing helix chain 'c' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR c 140 " --> pdb=" O TRP c 137 " (cutoff:3.500A) Processing helix chain 'c' and resid 207 through 209 No H-bonds generated for 'chain 'c' and resid 207 through 209' Processing helix chain 'd' and resid 96 through 99 Processing helix chain 'd' and resid 123 through 128 Processing helix chain 'd' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA d 136 " --> pdb=" O THR d 133 " (cutoff:3.500A) Processing helix chain 'd' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR d 140 " --> pdb=" O TRP d 137 " (cutoff:3.500A) Processing helix chain 'd' and resid 207 through 209 No H-bonds generated for 'chain 'd' and resid 207 through 209' Processing helix chain 'e' and resid 96 through 99 Processing helix chain 'e' and resid 123 through 128 Processing helix chain 'e' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA e 136 " --> pdb=" O THR e 133 " (cutoff:3.500A) Processing helix chain 'e' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR e 140 " --> pdb=" O TRP e 137 " (cutoff:3.500A) Processing helix chain 'e' and resid 207 through 209 No H-bonds generated for 'chain 'e' and resid 207 through 209' Processing helix chain 'f' and resid 96 through 99 Processing helix chain 'f' and resid 123 through 128 Processing helix chain 'f' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA f 136 " --> pdb=" O THR f 133 " (cutoff:3.500A) Processing helix chain 'f' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR f 140 " --> pdb=" O TRP f 137 " (cutoff:3.500A) Processing helix chain 'f' and resid 207 through 209 No H-bonds generated for 'chain 'f' and resid 207 through 209' Processing helix chain 'g' and resid 96 through 99 Processing helix chain 'g' and resid 123 through 128 Processing helix chain 'g' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA g 136 " --> pdb=" O THR g 133 " (cutoff:3.500A) Processing helix chain 'g' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR g 140 " --> pdb=" O TRP g 137 " (cutoff:3.500A) Processing helix chain 'g' and resid 207 through 209 No H-bonds generated for 'chain 'g' and resid 207 through 209' Processing helix chain 'h' and resid 96 through 99 Processing helix chain 'h' and resid 123 through 128 Processing helix chain 'h' and resid 131 through 136 removed outlier: 3.778A pdb=" N ALA h 136 " --> pdb=" O THR h 133 " (cutoff:3.500A) Processing helix chain 'h' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR h 140 " --> pdb=" O TRP h 137 " (cutoff:3.500A) Processing helix chain 'h' and resid 207 through 209 No H-bonds generated for 'chain 'h' and resid 207 through 209' Processing helix chain 'i' and resid 96 through 99 Processing helix chain 'i' and resid 123 through 128 Processing helix chain 'i' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA i 136 " --> pdb=" O THR i 133 " (cutoff:3.500A) Processing helix chain 'i' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR i 140 " --> pdb=" O TRP i 137 " (cutoff:3.500A) Processing helix chain 'i' and resid 207 through 209 No H-bonds generated for 'chain 'i' and resid 207 through 209' Processing helix chain 'j' and resid 96 through 99 Processing helix chain 'j' and resid 123 through 128 Processing helix chain 'j' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA j 136 " --> pdb=" O THR j 133 " (cutoff:3.500A) Processing helix chain 'j' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR j 140 " --> pdb=" O TRP j 137 " (cutoff:3.500A) Processing helix chain 'j' and resid 207 through 209 No H-bonds generated for 'chain 'j' and resid 207 through 209' Processing helix chain 'k' and resid 96 through 99 Processing helix chain 'k' and resid 123 through 128 Processing helix chain 'k' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA k 136 " --> pdb=" O THR k 133 " (cutoff:3.500A) Processing helix chain 'k' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR k 140 " --> pdb=" O TRP k 137 " (cutoff:3.500A) Processing helix chain 'k' and resid 207 through 209 No H-bonds generated for 'chain 'k' and resid 207 through 209' Processing helix chain 'l' and resid 96 through 99 Processing helix chain 'l' and resid 123 through 128 Processing helix chain 'l' and resid 131 through 136 removed outlier: 3.778A pdb=" N ALA l 136 " --> pdb=" O THR l 133 " (cutoff:3.500A) Processing helix chain 'l' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR l 140 " --> pdb=" O TRP l 137 " (cutoff:3.500A) Processing helix chain 'l' and resid 207 through 209 No H-bonds generated for 'chain 'l' and resid 207 through 209' Processing helix chain 'm' and resid 96 through 99 Processing helix chain 'm' and resid 123 through 128 Processing helix chain 'm' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA m 136 " --> pdb=" O THR m 133 " (cutoff:3.500A) Processing helix chain 'm' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR m 140 " --> pdb=" O TRP m 137 " (cutoff:3.500A) Processing helix chain 'm' and resid 207 through 209 No H-bonds generated for 'chain 'm' and resid 207 through 209' Processing helix chain 'n' and resid 96 through 99 Processing helix chain 'n' and resid 123 through 128 Processing helix chain 'n' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA n 136 " --> pdb=" O THR n 133 " (cutoff:3.500A) Processing helix chain 'n' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR n 140 " --> pdb=" O TRP n 137 " (cutoff:3.500A) Processing helix chain 'n' and resid 207 through 209 No H-bonds generated for 'chain 'n' and resid 207 through 209' Processing helix chain 'o' and resid 96 through 99 Processing helix chain 'o' and resid 123 through 128 Processing helix chain 'o' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA o 136 " --> pdb=" O THR o 133 " (cutoff:3.500A) Processing helix chain 'o' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR o 140 " --> pdb=" O TRP o 137 " (cutoff:3.500A) Processing helix chain 'o' and resid 207 through 209 No H-bonds generated for 'chain 'o' and resid 207 through 209' Processing helix chain 'p' and resid 96 through 99 Processing helix chain 'p' and resid 123 through 128 Processing helix chain 'p' and resid 131 through 136 removed outlier: 3.776A pdb=" N ALA p 136 " --> pdb=" O THR p 133 " (cutoff:3.500A) Processing helix chain 'p' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR p 140 " --> pdb=" O TRP p 137 " (cutoff:3.500A) Processing helix chain 'p' and resid 207 through 209 No H-bonds generated for 'chain 'p' and resid 207 through 209' Processing helix chain 'q' and resid 96 through 99 Processing helix chain 'q' and resid 123 through 128 Processing helix chain 'q' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA q 136 " --> pdb=" O THR q 133 " (cutoff:3.500A) Processing helix chain 'q' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR q 140 " --> pdb=" O TRP q 137 " (cutoff:3.500A) Processing helix chain 'q' and resid 207 through 209 No H-bonds generated for 'chain 'q' and resid 207 through 209' Processing helix chain 'r' and resid 96 through 99 Processing helix chain 'r' and resid 123 through 128 Processing helix chain 'r' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA r 136 " --> pdb=" O THR r 133 " (cutoff:3.500A) Processing helix chain 'r' and resid 137 through 141 removed outlier: 3.823A pdb=" N THR r 140 " --> pdb=" O TRP r 137 " (cutoff:3.500A) Processing helix chain 'r' and resid 207 through 209 No H-bonds generated for 'chain 'r' and resid 207 through 209' Processing helix chain 's' and resid 96 through 99 Processing helix chain 's' and resid 123 through 128 Processing helix chain 's' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA s 136 " --> pdb=" O THR s 133 " (cutoff:3.500A) Processing helix chain 's' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR s 140 " --> pdb=" O TRP s 137 " (cutoff:3.500A) Processing helix chain 's' and resid 207 through 209 No H-bonds generated for 'chain 's' and resid 207 through 209' Processing helix chain 't' and resid 96 through 99 Processing helix chain 't' and resid 123 through 128 Processing helix chain 't' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA t 136 " --> pdb=" O THR t 133 " (cutoff:3.500A) Processing helix chain 't' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR t 140 " --> pdb=" O TRP t 137 " (cutoff:3.500A) Processing helix chain 't' and resid 207 through 209 No H-bonds generated for 'chain 't' and resid 207 through 209' Processing helix chain 'u' and resid 96 through 99 Processing helix chain 'u' and resid 123 through 128 Processing helix chain 'u' and resid 131 through 136 removed outlier: 3.776A pdb=" N ALA u 136 " --> pdb=" O THR u 133 " (cutoff:3.500A) Processing helix chain 'u' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR u 140 " --> pdb=" O TRP u 137 " (cutoff:3.500A) Processing helix chain 'u' and resid 207 through 209 No H-bonds generated for 'chain 'u' and resid 207 through 209' Processing helix chain 'v' and resid 96 through 99 Processing helix chain 'v' and resid 123 through 128 Processing helix chain 'v' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA v 136 " --> pdb=" O THR v 133 " (cutoff:3.500A) Processing helix chain 'v' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR v 140 " --> pdb=" O TRP v 137 " (cutoff:3.500A) Processing helix chain 'v' and resid 207 through 209 No H-bonds generated for 'chain 'v' and resid 207 through 209' Processing helix chain 'w' and resid 96 through 99 Processing helix chain 'w' and resid 123 through 128 Processing helix chain 'w' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA w 136 " --> pdb=" O THR w 133 " (cutoff:3.500A) Processing helix chain 'w' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR w 140 " --> pdb=" O TRP w 137 " (cutoff:3.500A) Processing helix chain 'w' and resid 207 through 209 No H-bonds generated for 'chain 'w' and resid 207 through 209' Processing helix chain 'x' and resid 96 through 99 Processing helix chain 'x' and resid 123 through 128 Processing helix chain 'x' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA x 136 " --> pdb=" O THR x 133 " (cutoff:3.500A) Processing helix chain 'x' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR x 140 " --> pdb=" O TRP x 137 " (cutoff:3.500A) Processing helix chain 'x' and resid 207 through 209 No H-bonds generated for 'chain 'x' and resid 207 through 209' Processing helix chain 'y' and resid 96 through 99 Processing helix chain 'y' and resid 123 through 128 Processing helix chain 'y' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA y 136 " --> pdb=" O THR y 133 " (cutoff:3.500A) Processing helix chain 'y' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR y 140 " --> pdb=" O TRP y 137 " (cutoff:3.500A) Processing helix chain 'y' and resid 207 through 209 No H-bonds generated for 'chain 'y' and resid 207 through 209' Processing helix chain 'z' and resid 96 through 99 Processing helix chain 'z' and resid 123 through 128 Processing helix chain 'z' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA z 136 " --> pdb=" O THR z 133 " (cutoff:3.500A) Processing helix chain 'z' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR z 140 " --> pdb=" O TRP z 137 " (cutoff:3.500A) Processing helix chain 'z' and resid 207 through 209 No H-bonds generated for 'chain 'z' and resid 207 through 209' Processing helix chain '1' and resid 96 through 99 Processing helix chain '1' and resid 123 through 128 Processing helix chain '1' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA 1 136 " --> pdb=" O THR 1 133 " (cutoff:3.500A) Processing helix chain '1' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR 1 140 " --> pdb=" O TRP 1 137 " (cutoff:3.500A) Processing helix chain '1' and resid 207 through 209 No H-bonds generated for 'chain '1' and resid 207 through 209' Processing helix chain '2' and resid 96 through 99 Processing helix chain '2' and resid 123 through 128 Processing helix chain '2' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA 2 136 " --> pdb=" O THR 2 133 " (cutoff:3.500A) Processing helix chain '2' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR 2 140 " --> pdb=" O TRP 2 137 " (cutoff:3.500A) Processing helix chain '2' and resid 207 through 209 No H-bonds generated for 'chain '2' and resid 207 through 209' Processing helix chain '3' and resid 96 through 99 Processing helix chain '3' and resid 123 through 128 Processing helix chain '3' and resid 131 through 136 removed outlier: 3.778A pdb=" N ALA 3 136 " --> pdb=" O THR 3 133 " (cutoff:3.500A) Processing helix chain '3' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR 3 140 " --> pdb=" O TRP 3 137 " (cutoff:3.500A) Processing helix chain '3' and resid 207 through 209 No H-bonds generated for 'chain '3' and resid 207 through 209' Processing helix chain '4' and resid 96 through 99 Processing helix chain '4' and resid 123 through 128 Processing helix chain '4' and resid 131 through 136 removed outlier: 3.776A pdb=" N ALA 4 136 " --> pdb=" O THR 4 133 " (cutoff:3.500A) Processing helix chain '4' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR 4 140 " --> pdb=" O TRP 4 137 " (cutoff:3.500A) Processing helix chain '4' and resid 207 through 209 No H-bonds generated for 'chain '4' and resid 207 through 209' Processing helix chain '5' and resid 96 through 99 Processing helix chain '5' and resid 123 through 128 Processing helix chain '5' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA 5 136 " --> pdb=" O THR 5 133 " (cutoff:3.500A) Processing helix chain '5' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR 5 140 " --> pdb=" O TRP 5 137 " (cutoff:3.500A) Processing helix chain '5' and resid 207 through 209 No H-bonds generated for 'chain '5' and resid 207 through 209' Processing helix chain '6' and resid 96 through 99 Processing helix chain '6' and resid 123 through 128 Processing helix chain '6' and resid 131 through 136 removed outlier: 3.777A pdb=" N ALA 6 136 " --> pdb=" O THR 6 133 " (cutoff:3.500A) Processing helix chain '6' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR 6 140 " --> pdb=" O TRP 6 137 " (cutoff:3.500A) Processing helix chain '6' and resid 207 through 209 No H-bonds generated for 'chain '6' and resid 207 through 209' Processing helix chain '7' and resid 96 through 99 Processing helix chain '7' and resid 123 through 128 Processing helix chain '7' and resid 131 through 136 removed outlier: 3.778A pdb=" N ALA 7 136 " --> pdb=" O THR 7 133 " (cutoff:3.500A) Processing helix chain '7' and resid 137 through 141 removed outlier: 3.825A pdb=" N THR 7 140 " --> pdb=" O TRP 7 137 " (cutoff:3.500A) Processing helix chain '7' and resid 207 through 209 No H-bonds generated for 'chain '7' and resid 207 through 209' Processing helix chain '8' and resid 96 through 99 Processing helix chain '8' and resid 123 through 128 Processing helix chain '8' and resid 131 through 136 removed outlier: 3.776A pdb=" N ALA 8 136 " --> pdb=" O THR 8 133 " (cutoff:3.500A) Processing helix chain '8' and resid 137 through 141 removed outlier: 3.824A pdb=" N THR 8 140 " --> pdb=" O TRP 8 137 " (cutoff:3.500A) Processing helix chain '8' and resid 207 through 209 No H-bonds generated for 'chain '8' and resid 207 through 209' Processing sheet with id=AA1, first strand: chain 'A' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE A 238 " --> pdb=" O GLN A 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN A 43 " --> pdb=" O LEU A 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR A 234 " --> pdb=" O LEU A 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA A 87 " --> pdb=" O ARG A 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS A 85 " --> pdb=" O TYR A 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS A 239 " --> pdb=" O THR A 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR A 83 " --> pdb=" O LYS A 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE A 185 " --> pdb=" O PHE A 92 " (cutoff:3.500A) Processing sheet with id=AA2, first strand: chain 'A' and resid 54 through 55 removed outlier: 4.064A pdb=" N PHE A 228 " --> pdb=" O VAL A 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA A 87 " --> pdb=" O ARG A 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS A 85 " --> pdb=" O TYR A 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS A 239 " --> pdb=" O THR A 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR A 83 " --> pdb=" O LYS A 239 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N VAL A 196 " --> pdb=" O THR A 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN A 199 " --> pdb=" O GLN A 212 " (cutoff:3.500A) Processing sheet with id=AA3, first strand: chain 'A' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL A 60 " --> pdb=" O ILE A 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE A 220 " --> pdb=" O VAL A 60 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASN A 103 " --> pdb=" O THR A 163 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N THR A 163 " --> pdb=" O ASN A 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET A 161 " --> pdb=" O GLY A 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE A 159 " --> pdb=" O GLY A 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU A 111 " --> pdb=" O ARG A 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG A 155 " --> pdb=" O LEU A 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR A 113 " --> pdb=" O VAL A 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL A 153 " --> pdb=" O TYR A 113 " (cutoff:3.500A) Processing sheet with id=AA4, first strand: chain 'B' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE B 238 " --> pdb=" O GLN B 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN B 43 " --> pdb=" O LEU B 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR B 234 " --> pdb=" O LEU B 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA B 87 " --> pdb=" O ARG B 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS B 85 " --> pdb=" O TYR B 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS B 239 " --> pdb=" O THR B 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR B 83 " --> pdb=" O LYS B 239 " (cutoff:3.500A) removed outlier: 3.880A pdb=" N ILE B 185 " --> pdb=" O PHE B 92 " (cutoff:3.500A) Processing sheet with id=AA5, first strand: chain 'B' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE B 228 " --> pdb=" O VAL B 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA B 87 " --> pdb=" O ARG B 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS B 85 " --> pdb=" O TYR B 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS B 239 " --> pdb=" O THR B 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR B 83 " --> pdb=" O LYS B 239 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N VAL B 196 " --> pdb=" O THR B 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN B 199 " --> pdb=" O GLN B 212 " (cutoff:3.500A) Processing sheet with id=AA6, first strand: chain 'B' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL B 60 " --> pdb=" O ILE B 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE B 220 " --> pdb=" O VAL B 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN B 103 " --> pdb=" O THR B 163 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N THR B 163 " --> pdb=" O ASN B 103 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N MET B 161 " --> pdb=" O GLY B 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE B 159 " --> pdb=" O GLY B 107 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N LEU B 111 " --> pdb=" O ARG B 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG B 155 " --> pdb=" O LEU B 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR B 113 " --> pdb=" O VAL B 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL B 153 " --> pdb=" O TYR B 113 " (cutoff:3.500A) Processing sheet with id=AA7, first strand: chain 'C' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE C 238 " --> pdb=" O GLN C 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN C 43 " --> pdb=" O LEU C 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR C 234 " --> pdb=" O LEU C 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA C 87 " --> pdb=" O ARG C 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS C 85 " --> pdb=" O TYR C 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS C 239 " --> pdb=" O THR C 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR C 83 " --> pdb=" O LYS C 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE C 185 " --> pdb=" O PHE C 92 " (cutoff:3.500A) Processing sheet with id=AA8, first strand: chain 'C' and resid 54 through 55 removed outlier: 4.064A pdb=" N PHE C 228 " --> pdb=" O VAL C 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA C 87 " --> pdb=" O ARG C 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS C 85 " --> pdb=" O TYR C 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS C 239 " --> pdb=" O THR C 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR C 83 " --> pdb=" O LYS C 239 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N VAL C 196 " --> pdb=" O THR C 83 " (cutoff:3.500A) removed outlier: 6.895A pdb=" N GLN C 199 " --> pdb=" O GLN C 212 " (cutoff:3.500A) Processing sheet with id=AA9, first strand: chain 'C' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL C 60 " --> pdb=" O ILE C 220 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE C 220 " --> pdb=" O VAL C 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN C 103 " --> pdb=" O THR C 163 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N THR C 163 " --> pdb=" O ASN C 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET C 161 " --> pdb=" O GLY C 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE C 159 " --> pdb=" O GLY C 107 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU C 111 " --> pdb=" O ARG C 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG C 155 " --> pdb=" O LEU C 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR C 113 " --> pdb=" O VAL C 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL C 153 " --> pdb=" O TYR C 113 " (cutoff:3.500A) Processing sheet with id=AB1, first strand: chain 'D' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE D 238 " --> pdb=" O GLN D 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN D 43 " --> pdb=" O LEU D 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR D 234 " --> pdb=" O LEU D 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA D 87 " --> pdb=" O ARG D 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS D 85 " --> pdb=" O TYR D 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS D 239 " --> pdb=" O THR D 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR D 83 " --> pdb=" O LYS D 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE D 185 " --> pdb=" O PHE D 92 " (cutoff:3.500A) Processing sheet with id=AB2, first strand: chain 'D' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE D 228 " --> pdb=" O VAL D 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA D 87 " --> pdb=" O ARG D 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS D 85 " --> pdb=" O TYR D 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS D 239 " --> pdb=" O THR D 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR D 83 " --> pdb=" O LYS D 239 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N VAL D 196 " --> pdb=" O THR D 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN D 199 " --> pdb=" O GLN D 212 " (cutoff:3.500A) Processing sheet with id=AB3, first strand: chain 'D' and resid 60 through 63 removed outlier: 3.637A pdb=" N VAL D 60 " --> pdb=" O ILE D 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE D 220 " --> pdb=" O VAL D 60 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASN D 103 " --> pdb=" O THR D 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR D 163 " --> pdb=" O ASN D 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET D 161 " --> pdb=" O GLY D 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE D 159 " --> pdb=" O GLY D 107 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N LEU D 111 " --> pdb=" O ARG D 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG D 155 " --> pdb=" O LEU D 111 " (cutoff:3.500A) removed outlier: 6.726A pdb=" N TYR D 113 " --> pdb=" O VAL D 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL D 153 " --> pdb=" O TYR D 113 " (cutoff:3.500A) Processing sheet with id=AB4, first strand: chain 'E' and resid 41 through 47 removed outlier: 3.653A pdb=" N PHE E 238 " --> pdb=" O GLN E 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN E 43 " --> pdb=" O LEU E 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR E 234 " --> pdb=" O LEU E 45 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N ALA E 87 " --> pdb=" O ARG E 235 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N LYS E 85 " --> pdb=" O TYR E 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS E 239 " --> pdb=" O THR E 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR E 83 " --> pdb=" O LYS E 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE E 185 " --> pdb=" O PHE E 92 " (cutoff:3.500A) Processing sheet with id=AB5, first strand: chain 'E' and resid 54 through 55 removed outlier: 4.064A pdb=" N PHE E 228 " --> pdb=" O VAL E 55 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N ALA E 87 " --> pdb=" O ARG E 235 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N LYS E 85 " --> pdb=" O TYR E 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS E 239 " --> pdb=" O THR E 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR E 83 " --> pdb=" O LYS E 239 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N VAL E 196 " --> pdb=" O THR E 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN E 199 " --> pdb=" O GLN E 212 " (cutoff:3.500A) Processing sheet with id=AB6, first strand: chain 'E' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL E 60 " --> pdb=" O ILE E 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE E 220 " --> pdb=" O VAL E 60 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASN E 103 " --> pdb=" O THR E 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR E 163 " --> pdb=" O ASN E 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET E 161 " --> pdb=" O GLY E 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE E 159 " --> pdb=" O GLY E 107 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU E 111 " --> pdb=" O ARG E 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG E 155 " --> pdb=" O LEU E 111 " (cutoff:3.500A) removed outlier: 6.726A pdb=" N TYR E 113 " --> pdb=" O VAL E 153 " (cutoff:3.500A) removed outlier: 5.411A pdb=" N VAL E 153 " --> pdb=" O TYR E 113 " (cutoff:3.500A) Processing sheet with id=AB7, first strand: chain 'F' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE F 238 " --> pdb=" O GLN F 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN F 43 " --> pdb=" O LEU F 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR F 234 " --> pdb=" O LEU F 45 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N ALA F 87 " --> pdb=" O ARG F 235 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N LYS F 85 " --> pdb=" O TYR F 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS F 239 " --> pdb=" O THR F 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR F 83 " --> pdb=" O LYS F 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE F 185 " --> pdb=" O PHE F 92 " (cutoff:3.500A) Processing sheet with id=AB8, first strand: chain 'F' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE F 228 " --> pdb=" O VAL F 55 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N ALA F 87 " --> pdb=" O ARG F 235 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N LYS F 85 " --> pdb=" O TYR F 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS F 239 " --> pdb=" O THR F 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR F 83 " --> pdb=" O LYS F 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL F 196 " --> pdb=" O THR F 83 " (cutoff:3.500A) removed outlier: 6.895A pdb=" N GLN F 199 " --> pdb=" O GLN F 212 " (cutoff:3.500A) Processing sheet with id=AB9, first strand: chain 'F' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL F 60 " --> pdb=" O ILE F 220 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N ILE F 220 " --> pdb=" O VAL F 60 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASN F 103 " --> pdb=" O THR F 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR F 163 " --> pdb=" O ASN F 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET F 161 " --> pdb=" O GLY F 105 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N PHE F 159 " --> pdb=" O GLY F 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU F 111 " --> pdb=" O ARG F 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG F 155 " --> pdb=" O LEU F 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR F 113 " --> pdb=" O VAL F 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL F 153 " --> pdb=" O TYR F 113 " (cutoff:3.500A) Processing sheet with id=AC1, first strand: chain 'G' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE G 238 " --> pdb=" O GLN G 41 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N GLN G 43 " --> pdb=" O LEU G 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR G 234 " --> pdb=" O LEU G 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA G 87 " --> pdb=" O ARG G 235 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N LYS G 85 " --> pdb=" O TYR G 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS G 239 " --> pdb=" O THR G 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR G 83 " --> pdb=" O LYS G 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE G 185 " --> pdb=" O PHE G 92 " (cutoff:3.500A) Processing sheet with id=AC2, first strand: chain 'G' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE G 228 " --> pdb=" O VAL G 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA G 87 " --> pdb=" O ARG G 235 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N LYS G 85 " --> pdb=" O TYR G 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS G 239 " --> pdb=" O THR G 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR G 83 " --> pdb=" O LYS G 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL G 196 " --> pdb=" O THR G 83 " (cutoff:3.500A) removed outlier: 6.895A pdb=" N GLN G 199 " --> pdb=" O GLN G 212 " (cutoff:3.500A) Processing sheet with id=AC3, first strand: chain 'G' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL G 60 " --> pdb=" O ILE G 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE G 220 " --> pdb=" O VAL G 60 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASN G 103 " --> pdb=" O THR G 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR G 163 " --> pdb=" O ASN G 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET G 161 " --> pdb=" O GLY G 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE G 159 " --> pdb=" O GLY G 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU G 111 " --> pdb=" O ARG G 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG G 155 " --> pdb=" O LEU G 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR G 113 " --> pdb=" O VAL G 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL G 153 " --> pdb=" O TYR G 113 " (cutoff:3.500A) Processing sheet with id=AC4, first strand: chain 'H' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE H 238 " --> pdb=" O GLN H 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN H 43 " --> pdb=" O LEU H 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR H 234 " --> pdb=" O LEU H 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA H 87 " --> pdb=" O ARG H 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS H 85 " --> pdb=" O TYR H 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS H 239 " --> pdb=" O THR H 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR H 83 " --> pdb=" O LYS H 239 " (cutoff:3.500A) removed outlier: 3.880A pdb=" N ILE H 185 " --> pdb=" O PHE H 92 " (cutoff:3.500A) Processing sheet with id=AC5, first strand: chain 'H' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE H 228 " --> pdb=" O VAL H 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA H 87 " --> pdb=" O ARG H 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS H 85 " --> pdb=" O TYR H 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS H 239 " --> pdb=" O THR H 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR H 83 " --> pdb=" O LYS H 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL H 196 " --> pdb=" O THR H 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN H 199 " --> pdb=" O GLN H 212 " (cutoff:3.500A) Processing sheet with id=AC6, first strand: chain 'H' and resid 60 through 63 removed outlier: 3.637A pdb=" N VAL H 60 " --> pdb=" O ILE H 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE H 220 " --> pdb=" O VAL H 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN H 103 " --> pdb=" O THR H 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR H 163 " --> pdb=" O ASN H 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET H 161 " --> pdb=" O GLY H 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE H 159 " --> pdb=" O GLY H 107 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU H 111 " --> pdb=" O ARG H 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG H 155 " --> pdb=" O LEU H 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR H 113 " --> pdb=" O VAL H 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL H 153 " --> pdb=" O TYR H 113 " (cutoff:3.500A) Processing sheet with id=AC7, first strand: chain 'I' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE I 238 " --> pdb=" O GLN I 41 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N GLN I 43 " --> pdb=" O LEU I 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR I 234 " --> pdb=" O LEU I 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA I 87 " --> pdb=" O ARG I 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS I 85 " --> pdb=" O TYR I 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS I 239 " --> pdb=" O THR I 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR I 83 " --> pdb=" O LYS I 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE I 185 " --> pdb=" O PHE I 92 " (cutoff:3.500A) Processing sheet with id=AC8, first strand: chain 'I' and resid 54 through 55 removed outlier: 4.066A pdb=" N PHE I 228 " --> pdb=" O VAL I 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA I 87 " --> pdb=" O ARG I 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS I 85 " --> pdb=" O TYR I 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS I 239 " --> pdb=" O THR I 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR I 83 " --> pdb=" O LYS I 239 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N VAL I 196 " --> pdb=" O THR I 83 " (cutoff:3.500A) removed outlier: 6.895A pdb=" N GLN I 199 " --> pdb=" O GLN I 212 " (cutoff:3.500A) Processing sheet with id=AC9, first strand: chain 'I' and resid 60 through 63 removed outlier: 3.637A pdb=" N VAL I 60 " --> pdb=" O ILE I 220 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE I 220 " --> pdb=" O VAL I 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN I 103 " --> pdb=" O THR I 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR I 163 " --> pdb=" O ASN I 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET I 161 " --> pdb=" O GLY I 105 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N PHE I 159 " --> pdb=" O GLY I 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU I 111 " --> pdb=" O ARG I 155 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N ARG I 155 " --> pdb=" O LEU I 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR I 113 " --> pdb=" O VAL I 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL I 153 " --> pdb=" O TYR I 113 " (cutoff:3.500A) Processing sheet with id=AD1, first strand: chain 'J' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE J 238 " --> pdb=" O GLN J 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN J 43 " --> pdb=" O LEU J 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR J 234 " --> pdb=" O LEU J 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA J 87 " --> pdb=" O ARG J 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS J 85 " --> pdb=" O TYR J 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS J 239 " --> pdb=" O THR J 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR J 83 " --> pdb=" O LYS J 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE J 185 " --> pdb=" O PHE J 92 " (cutoff:3.500A) Processing sheet with id=AD2, first strand: chain 'J' and resid 54 through 55 removed outlier: 4.066A pdb=" N PHE J 228 " --> pdb=" O VAL J 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA J 87 " --> pdb=" O ARG J 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS J 85 " --> pdb=" O TYR J 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS J 239 " --> pdb=" O THR J 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR J 83 " --> pdb=" O LYS J 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL J 196 " --> pdb=" O THR J 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN J 199 " --> pdb=" O GLN J 212 " (cutoff:3.500A) Processing sheet with id=AD3, first strand: chain 'J' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL J 60 " --> pdb=" O ILE J 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE J 220 " --> pdb=" O VAL J 60 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASN J 103 " --> pdb=" O THR J 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR J 163 " --> pdb=" O ASN J 103 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N MET J 161 " --> pdb=" O GLY J 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE J 159 " --> pdb=" O GLY J 107 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU J 111 " --> pdb=" O ARG J 155 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N ARG J 155 " --> pdb=" O LEU J 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR J 113 " --> pdb=" O VAL J 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL J 153 " --> pdb=" O TYR J 113 " (cutoff:3.500A) Processing sheet with id=AD4, first strand: chain 'K' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE K 238 " --> pdb=" O GLN K 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN K 43 " --> pdb=" O LEU K 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR K 234 " --> pdb=" O LEU K 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA K 87 " --> pdb=" O ARG K 235 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N LYS K 85 " --> pdb=" O TYR K 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS K 239 " --> pdb=" O THR K 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR K 83 " --> pdb=" O LYS K 239 " (cutoff:3.500A) removed outlier: 3.880A pdb=" N ILE K 185 " --> pdb=" O PHE K 92 " (cutoff:3.500A) Processing sheet with id=AD5, first strand: chain 'K' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE K 228 " --> pdb=" O VAL K 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA K 87 " --> pdb=" O ARG K 235 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N LYS K 85 " --> pdb=" O TYR K 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS K 239 " --> pdb=" O THR K 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR K 83 " --> pdb=" O LYS K 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL K 196 " --> pdb=" O THR K 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN K 199 " --> pdb=" O GLN K 212 " (cutoff:3.500A) Processing sheet with id=AD6, first strand: chain 'K' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL K 60 " --> pdb=" O ILE K 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE K 220 " --> pdb=" O VAL K 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN K 103 " --> pdb=" O THR K 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR K 163 " --> pdb=" O ASN K 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET K 161 " --> pdb=" O GLY K 105 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N PHE K 159 " --> pdb=" O GLY K 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU K 111 " --> pdb=" O ARG K 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG K 155 " --> pdb=" O LEU K 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR K 113 " --> pdb=" O VAL K 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL K 153 " --> pdb=" O TYR K 113 " (cutoff:3.500A) Processing sheet with id=AD7, first strand: chain 'L' and resid 41 through 47 removed outlier: 3.653A pdb=" N PHE L 238 " --> pdb=" O GLN L 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN L 43 " --> pdb=" O LEU L 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR L 234 " --> pdb=" O LEU L 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA L 87 " --> pdb=" O ARG L 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS L 85 " --> pdb=" O TYR L 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS L 239 " --> pdb=" O THR L 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR L 83 " --> pdb=" O LYS L 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE L 185 " --> pdb=" O PHE L 92 " (cutoff:3.500A) Processing sheet with id=AD8, first strand: chain 'L' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE L 228 " --> pdb=" O VAL L 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA L 87 " --> pdb=" O ARG L 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS L 85 " --> pdb=" O TYR L 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS L 239 " --> pdb=" O THR L 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR L 83 " --> pdb=" O LYS L 239 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N VAL L 196 " --> pdb=" O THR L 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN L 199 " --> pdb=" O GLN L 212 " (cutoff:3.500A) Processing sheet with id=AD9, first strand: chain 'L' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL L 60 " --> pdb=" O ILE L 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE L 220 " --> pdb=" O VAL L 60 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASN L 103 " --> pdb=" O THR L 163 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N THR L 163 " --> pdb=" O ASN L 103 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N MET L 161 " --> pdb=" O GLY L 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE L 159 " --> pdb=" O GLY L 107 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU L 111 " --> pdb=" O ARG L 155 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N ARG L 155 " --> pdb=" O LEU L 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR L 113 " --> pdb=" O VAL L 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL L 153 " --> pdb=" O TYR L 113 " (cutoff:3.500A) Processing sheet with id=AE1, first strand: chain 'M' and resid 41 through 47 removed outlier: 3.653A pdb=" N PHE M 238 " --> pdb=" O GLN M 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN M 43 " --> pdb=" O LEU M 236 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N THR M 234 " --> pdb=" O LEU M 45 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N ALA M 87 " --> pdb=" O ARG M 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS M 85 " --> pdb=" O TYR M 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS M 239 " --> pdb=" O THR M 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR M 83 " --> pdb=" O LYS M 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE M 185 " --> pdb=" O PHE M 92 " (cutoff:3.500A) Processing sheet with id=AE2, first strand: chain 'M' and resid 54 through 55 removed outlier: 4.064A pdb=" N PHE M 228 " --> pdb=" O VAL M 55 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N ALA M 87 " --> pdb=" O ARG M 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS M 85 " --> pdb=" O TYR M 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS M 239 " --> pdb=" O THR M 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR M 83 " --> pdb=" O LYS M 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL M 196 " --> pdb=" O THR M 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN M 199 " --> pdb=" O GLN M 212 " (cutoff:3.500A) Processing sheet with id=AE3, first strand: chain 'M' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL M 60 " --> pdb=" O ILE M 220 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N ILE M 220 " --> pdb=" O VAL M 60 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASN M 103 " --> pdb=" O THR M 163 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N THR M 163 " --> pdb=" O ASN M 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET M 161 " --> pdb=" O GLY M 105 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N PHE M 159 " --> pdb=" O GLY M 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU M 111 " --> pdb=" O ARG M 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG M 155 " --> pdb=" O LEU M 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR M 113 " --> pdb=" O VAL M 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL M 153 " --> pdb=" O TYR M 113 " (cutoff:3.500A) Processing sheet with id=AE4, first strand: chain 'N' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE N 238 " --> pdb=" O GLN N 41 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N GLN N 43 " --> pdb=" O LEU N 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR N 234 " --> pdb=" O LEU N 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA N 87 " --> pdb=" O ARG N 235 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N LYS N 85 " --> pdb=" O TYR N 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS N 239 " --> pdb=" O THR N 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR N 83 " --> pdb=" O LYS N 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE N 185 " --> pdb=" O PHE N 92 " (cutoff:3.500A) Processing sheet with id=AE5, first strand: chain 'N' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE N 228 " --> pdb=" O VAL N 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA N 87 " --> pdb=" O ARG N 235 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N LYS N 85 " --> pdb=" O TYR N 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS N 239 " --> pdb=" O THR N 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR N 83 " --> pdb=" O LYS N 239 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N VAL N 196 " --> pdb=" O THR N 83 " (cutoff:3.500A) removed outlier: 6.895A pdb=" N GLN N 199 " --> pdb=" O GLN N 212 " (cutoff:3.500A) Processing sheet with id=AE6, first strand: chain 'N' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL N 60 " --> pdb=" O ILE N 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE N 220 " --> pdb=" O VAL N 60 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASN N 103 " --> pdb=" O THR N 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR N 163 " --> pdb=" O ASN N 103 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N MET N 161 " --> pdb=" O GLY N 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE N 159 " --> pdb=" O GLY N 107 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU N 111 " --> pdb=" O ARG N 155 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N ARG N 155 " --> pdb=" O LEU N 111 " (cutoff:3.500A) removed outlier: 6.726A pdb=" N TYR N 113 " --> pdb=" O VAL N 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL N 153 " --> pdb=" O TYR N 113 " (cutoff:3.500A) Processing sheet with id=AE7, first strand: chain 'O' and resid 41 through 47 removed outlier: 3.653A pdb=" N PHE O 238 " --> pdb=" O GLN O 41 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N GLN O 43 " --> pdb=" O LEU O 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR O 234 " --> pdb=" O LEU O 45 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N ALA O 87 " --> pdb=" O ARG O 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS O 85 " --> pdb=" O TYR O 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS O 239 " --> pdb=" O THR O 83 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N THR O 83 " --> pdb=" O LYS O 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE O 185 " --> pdb=" O PHE O 92 " (cutoff:3.500A) Processing sheet with id=AE8, first strand: chain 'O' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE O 228 " --> pdb=" O VAL O 55 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N ALA O 87 " --> pdb=" O ARG O 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS O 85 " --> pdb=" O TYR O 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS O 239 " --> pdb=" O THR O 83 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N THR O 83 " --> pdb=" O LYS O 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL O 196 " --> pdb=" O THR O 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN O 199 " --> pdb=" O GLN O 212 " (cutoff:3.500A) Processing sheet with id=AE9, first strand: chain 'O' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL O 60 " --> pdb=" O ILE O 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE O 220 " --> pdb=" O VAL O 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN O 103 " --> pdb=" O THR O 163 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N THR O 163 " --> pdb=" O ASN O 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET O 161 " --> pdb=" O GLY O 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE O 159 " --> pdb=" O GLY O 107 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU O 111 " --> pdb=" O ARG O 155 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N ARG O 155 " --> pdb=" O LEU O 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR O 113 " --> pdb=" O VAL O 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL O 153 " --> pdb=" O TYR O 113 " (cutoff:3.500A) Processing sheet with id=AF1, first strand: chain 'P' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE P 238 " --> pdb=" O GLN P 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN P 43 " --> pdb=" O LEU P 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR P 234 " --> pdb=" O LEU P 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA P 87 " --> pdb=" O ARG P 235 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N LYS P 85 " --> pdb=" O TYR P 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS P 239 " --> pdb=" O THR P 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR P 83 " --> pdb=" O LYS P 239 " (cutoff:3.500A) removed outlier: 3.880A pdb=" N ILE P 185 " --> pdb=" O PHE P 92 " (cutoff:3.500A) Processing sheet with id=AF2, first strand: chain 'P' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE P 228 " --> pdb=" O VAL P 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA P 87 " --> pdb=" O ARG P 235 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N LYS P 85 " --> pdb=" O TYR P 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS P 239 " --> pdb=" O THR P 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR P 83 " --> pdb=" O LYS P 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL P 196 " --> pdb=" O THR P 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN P 199 " --> pdb=" O GLN P 212 " (cutoff:3.500A) Processing sheet with id=AF3, first strand: chain 'P' and resid 60 through 63 removed outlier: 3.637A pdb=" N VAL P 60 " --> pdb=" O ILE P 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE P 220 " --> pdb=" O VAL P 60 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASN P 103 " --> pdb=" O THR P 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR P 163 " --> pdb=" O ASN P 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET P 161 " --> pdb=" O GLY P 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE P 159 " --> pdb=" O GLY P 107 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU P 111 " --> pdb=" O ARG P 155 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N ARG P 155 " --> pdb=" O LEU P 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR P 113 " --> pdb=" O VAL P 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL P 153 " --> pdb=" O TYR P 113 " (cutoff:3.500A) Processing sheet with id=AF4, first strand: chain 'Q' and resid 41 through 47 removed outlier: 3.653A pdb=" N PHE Q 238 " --> pdb=" O GLN Q 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN Q 43 " --> pdb=" O LEU Q 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR Q 234 " --> pdb=" O LEU Q 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA Q 87 " --> pdb=" O ARG Q 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS Q 85 " --> pdb=" O TYR Q 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS Q 239 " --> pdb=" O THR Q 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR Q 83 " --> pdb=" O LYS Q 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE Q 185 " --> pdb=" O PHE Q 92 " (cutoff:3.500A) Processing sheet with id=AF5, first strand: chain 'Q' and resid 54 through 55 removed outlier: 4.064A pdb=" N PHE Q 228 " --> pdb=" O VAL Q 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA Q 87 " --> pdb=" O ARG Q 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS Q 85 " --> pdb=" O TYR Q 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS Q 239 " --> pdb=" O THR Q 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR Q 83 " --> pdb=" O LYS Q 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL Q 196 " --> pdb=" O THR Q 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN Q 199 " --> pdb=" O GLN Q 212 " (cutoff:3.500A) Processing sheet with id=AF6, first strand: chain 'Q' and resid 60 through 63 removed outlier: 3.635A pdb=" N VAL Q 60 " --> pdb=" O ILE Q 220 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N ILE Q 220 " --> pdb=" O VAL Q 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN Q 103 " --> pdb=" O THR Q 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR Q 163 " --> pdb=" O ASN Q 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET Q 161 " --> pdb=" O GLY Q 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE Q 159 " --> pdb=" O GLY Q 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU Q 111 " --> pdb=" O ARG Q 155 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N ARG Q 155 " --> pdb=" O LEU Q 111 " (cutoff:3.500A) removed outlier: 6.726A pdb=" N TYR Q 113 " --> pdb=" O VAL Q 153 " (cutoff:3.500A) removed outlier: 5.413A pdb=" N VAL Q 153 " --> pdb=" O TYR Q 113 " (cutoff:3.500A) Processing sheet with id=AF7, first strand: chain 'R' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE R 238 " --> pdb=" O GLN R 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN R 43 " --> pdb=" O LEU R 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR R 234 " --> pdb=" O LEU R 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA R 87 " --> pdb=" O ARG R 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS R 85 " --> pdb=" O TYR R 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS R 239 " --> pdb=" O THR R 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR R 83 " --> pdb=" O LYS R 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE R 185 " --> pdb=" O PHE R 92 " (cutoff:3.500A) Processing sheet with id=AF8, first strand: chain 'R' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE R 228 " --> pdb=" O VAL R 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA R 87 " --> pdb=" O ARG R 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS R 85 " --> pdb=" O TYR R 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS R 239 " --> pdb=" O THR R 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR R 83 " --> pdb=" O LYS R 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL R 196 " --> pdb=" O THR R 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN R 199 " --> pdb=" O GLN R 212 " (cutoff:3.500A) Processing sheet with id=AF9, first strand: chain 'R' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL R 60 " --> pdb=" O ILE R 220 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE R 220 " --> pdb=" O VAL R 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN R 103 " --> pdb=" O THR R 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR R 163 " --> pdb=" O ASN R 103 " (cutoff:3.500A) removed outlier: 3.934A pdb=" N MET R 161 " --> pdb=" O GLY R 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE R 159 " --> pdb=" O GLY R 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU R 111 " --> pdb=" O ARG R 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG R 155 " --> pdb=" O LEU R 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR R 113 " --> pdb=" O VAL R 153 " (cutoff:3.500A) removed outlier: 5.413A pdb=" N VAL R 153 " --> pdb=" O TYR R 113 " (cutoff:3.500A) Processing sheet with id=AG1, first strand: chain 'S' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE S 238 " --> pdb=" O GLN S 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN S 43 " --> pdb=" O LEU S 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR S 234 " --> pdb=" O LEU S 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA S 87 " --> pdb=" O ARG S 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS S 85 " --> pdb=" O TYR S 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS S 239 " --> pdb=" O THR S 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR S 83 " --> pdb=" O LYS S 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE S 185 " --> pdb=" O PHE S 92 " (cutoff:3.500A) Processing sheet with id=AG2, first strand: chain 'S' and resid 54 through 55 removed outlier: 4.064A pdb=" N PHE S 228 " --> pdb=" O VAL S 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA S 87 " --> pdb=" O ARG S 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS S 85 " --> pdb=" O TYR S 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS S 239 " --> pdb=" O THR S 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR S 83 " --> pdb=" O LYS S 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL S 196 " --> pdb=" O THR S 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN S 199 " --> pdb=" O GLN S 212 " (cutoff:3.500A) Processing sheet with id=AG3, first strand: chain 'S' and resid 60 through 63 removed outlier: 3.637A pdb=" N VAL S 60 " --> pdb=" O ILE S 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE S 220 " --> pdb=" O VAL S 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN S 103 " --> pdb=" O THR S 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR S 163 " --> pdb=" O ASN S 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET S 161 " --> pdb=" O GLY S 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE S 159 " --> pdb=" O GLY S 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU S 111 " --> pdb=" O ARG S 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG S 155 " --> pdb=" O LEU S 111 " (cutoff:3.500A) removed outlier: 6.726A pdb=" N TYR S 113 " --> pdb=" O VAL S 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL S 153 " --> pdb=" O TYR S 113 " (cutoff:3.500A) Processing sheet with id=AG4, first strand: chain 'T' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE T 238 " --> pdb=" O GLN T 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN T 43 " --> pdb=" O LEU T 236 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N THR T 234 " --> pdb=" O LEU T 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA T 87 " --> pdb=" O ARG T 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS T 85 " --> pdb=" O TYR T 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS T 239 " --> pdb=" O THR T 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR T 83 " --> pdb=" O LYS T 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE T 185 " --> pdb=" O PHE T 92 " (cutoff:3.500A) Processing sheet with id=AG5, first strand: chain 'T' and resid 54 through 55 removed outlier: 4.064A pdb=" N PHE T 228 " --> pdb=" O VAL T 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA T 87 " --> pdb=" O ARG T 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS T 85 " --> pdb=" O TYR T 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS T 239 " --> pdb=" O THR T 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR T 83 " --> pdb=" O LYS T 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL T 196 " --> pdb=" O THR T 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN T 199 " --> pdb=" O GLN T 212 " (cutoff:3.500A) Processing sheet with id=AG6, first strand: chain 'T' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL T 60 " --> pdb=" O ILE T 220 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N ILE T 220 " --> pdb=" O VAL T 60 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASN T 103 " --> pdb=" O THR T 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR T 163 " --> pdb=" O ASN T 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET T 161 " --> pdb=" O GLY T 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE T 159 " --> pdb=" O GLY T 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU T 111 " --> pdb=" O ARG T 155 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N ARG T 155 " --> pdb=" O LEU T 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR T 113 " --> pdb=" O VAL T 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL T 153 " --> pdb=" O TYR T 113 " (cutoff:3.500A) Processing sheet with id=AG7, first strand: chain 'U' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE U 238 " --> pdb=" O GLN U 41 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N GLN U 43 " --> pdb=" O LEU U 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR U 234 " --> pdb=" O LEU U 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA U 87 " --> pdb=" O ARG U 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS U 85 " --> pdb=" O TYR U 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS U 239 " --> pdb=" O THR U 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR U 83 " --> pdb=" O LYS U 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE U 185 " --> pdb=" O PHE U 92 " (cutoff:3.500A) Processing sheet with id=AG8, first strand: chain 'U' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE U 228 " --> pdb=" O VAL U 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA U 87 " --> pdb=" O ARG U 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS U 85 " --> pdb=" O TYR U 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS U 239 " --> pdb=" O THR U 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR U 83 " --> pdb=" O LYS U 239 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N VAL U 196 " --> pdb=" O THR U 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN U 199 " --> pdb=" O GLN U 212 " (cutoff:3.500A) Processing sheet with id=AG9, first strand: chain 'U' and resid 60 through 63 removed outlier: 3.637A pdb=" N VAL U 60 " --> pdb=" O ILE U 220 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N ILE U 220 " --> pdb=" O VAL U 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN U 103 " --> pdb=" O THR U 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR U 163 " --> pdb=" O ASN U 103 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N MET U 161 " --> pdb=" O GLY U 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE U 159 " --> pdb=" O GLY U 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU U 111 " --> pdb=" O ARG U 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG U 155 " --> pdb=" O LEU U 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR U 113 " --> pdb=" O VAL U 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL U 153 " --> pdb=" O TYR U 113 " (cutoff:3.500A) Processing sheet with id=AH1, first strand: chain 'V' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE V 238 " --> pdb=" O GLN V 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN V 43 " --> pdb=" O LEU V 236 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N THR V 234 " --> pdb=" O LEU V 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA V 87 " --> pdb=" O ARG V 235 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N LYS V 85 " --> pdb=" O TYR V 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS V 239 " --> pdb=" O THR V 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR V 83 " --> pdb=" O LYS V 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE V 185 " --> pdb=" O PHE V 92 " (cutoff:3.500A) Processing sheet with id=AH2, first strand: chain 'V' and resid 54 through 55 removed outlier: 4.064A pdb=" N PHE V 228 " --> pdb=" O VAL V 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA V 87 " --> pdb=" O ARG V 235 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N LYS V 85 " --> pdb=" O TYR V 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS V 239 " --> pdb=" O THR V 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR V 83 " --> pdb=" O LYS V 239 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N VAL V 196 " --> pdb=" O THR V 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN V 199 " --> pdb=" O GLN V 212 " (cutoff:3.500A) Processing sheet with id=AH3, first strand: chain 'V' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL V 60 " --> pdb=" O ILE V 220 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N ILE V 220 " --> pdb=" O VAL V 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN V 103 " --> pdb=" O THR V 163 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N THR V 163 " --> pdb=" O ASN V 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET V 161 " --> pdb=" O GLY V 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE V 159 " --> pdb=" O GLY V 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU V 111 " --> pdb=" O ARG V 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG V 155 " --> pdb=" O LEU V 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR V 113 " --> pdb=" O VAL V 153 " (cutoff:3.500A) removed outlier: 5.411A pdb=" N VAL V 153 " --> pdb=" O TYR V 113 " (cutoff:3.500A) Processing sheet with id=AH4, first strand: chain 'W' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE W 238 " --> pdb=" O GLN W 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN W 43 " --> pdb=" O LEU W 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR W 234 " --> pdb=" O LEU W 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA W 87 " --> pdb=" O ARG W 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS W 85 " --> pdb=" O TYR W 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS W 239 " --> pdb=" O THR W 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR W 83 " --> pdb=" O LYS W 239 " (cutoff:3.500A) removed outlier: 3.880A pdb=" N ILE W 185 " --> pdb=" O PHE W 92 " (cutoff:3.500A) Processing sheet with id=AH5, first strand: chain 'W' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE W 228 " --> pdb=" O VAL W 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA W 87 " --> pdb=" O ARG W 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS W 85 " --> pdb=" O TYR W 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS W 239 " --> pdb=" O THR W 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR W 83 " --> pdb=" O LYS W 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL W 196 " --> pdb=" O THR W 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN W 199 " --> pdb=" O GLN W 212 " (cutoff:3.500A) Processing sheet with id=AH6, first strand: chain 'W' and resid 60 through 63 removed outlier: 3.637A pdb=" N VAL W 60 " --> pdb=" O ILE W 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE W 220 " --> pdb=" O VAL W 60 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASN W 103 " --> pdb=" O THR W 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR W 163 " --> pdb=" O ASN W 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET W 161 " --> pdb=" O GLY W 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE W 159 " --> pdb=" O GLY W 107 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU W 111 " --> pdb=" O ARG W 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG W 155 " --> pdb=" O LEU W 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR W 113 " --> pdb=" O VAL W 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL W 153 " --> pdb=" O TYR W 113 " (cutoff:3.500A) Processing sheet with id=AH7, first strand: chain 'X' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE X 238 " --> pdb=" O GLN X 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN X 43 " --> pdb=" O LEU X 236 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N THR X 234 " --> pdb=" O LEU X 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA X 87 " --> pdb=" O ARG X 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS X 85 " --> pdb=" O TYR X 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS X 239 " --> pdb=" O THR X 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR X 83 " --> pdb=" O LYS X 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE X 185 " --> pdb=" O PHE X 92 " (cutoff:3.500A) Processing sheet with id=AH8, first strand: chain 'X' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE X 228 " --> pdb=" O VAL X 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA X 87 " --> pdb=" O ARG X 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS X 85 " --> pdb=" O TYR X 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS X 239 " --> pdb=" O THR X 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR X 83 " --> pdb=" O LYS X 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL X 196 " --> pdb=" O THR X 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN X 199 " --> pdb=" O GLN X 212 " (cutoff:3.500A) Processing sheet with id=AH9, first strand: chain 'X' and resid 60 through 63 removed outlier: 3.635A pdb=" N VAL X 60 " --> pdb=" O ILE X 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE X 220 " --> pdb=" O VAL X 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN X 103 " --> pdb=" O THR X 163 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N THR X 163 " --> pdb=" O ASN X 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET X 161 " --> pdb=" O GLY X 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE X 159 " --> pdb=" O GLY X 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU X 111 " --> pdb=" O ARG X 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG X 155 " --> pdb=" O LEU X 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR X 113 " --> pdb=" O VAL X 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL X 153 " --> pdb=" O TYR X 113 " (cutoff:3.500A) Processing sheet with id=AI1, first strand: chain 'Y' and resid 41 through 47 removed outlier: 3.653A pdb=" N PHE Y 238 " --> pdb=" O GLN Y 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN Y 43 " --> pdb=" O LEU Y 236 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N THR Y 234 " --> pdb=" O LEU Y 45 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N ALA Y 87 " --> pdb=" O ARG Y 235 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N LYS Y 85 " --> pdb=" O TYR Y 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS Y 239 " --> pdb=" O THR Y 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR Y 83 " --> pdb=" O LYS Y 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE Y 185 " --> pdb=" O PHE Y 92 " (cutoff:3.500A) Processing sheet with id=AI2, first strand: chain 'Y' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE Y 228 " --> pdb=" O VAL Y 55 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N ALA Y 87 " --> pdb=" O ARG Y 235 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N LYS Y 85 " --> pdb=" O TYR Y 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS Y 239 " --> pdb=" O THR Y 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR Y 83 " --> pdb=" O LYS Y 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL Y 196 " --> pdb=" O THR Y 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN Y 199 " --> pdb=" O GLN Y 212 " (cutoff:3.500A) Processing sheet with id=AI3, first strand: chain 'Y' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL Y 60 " --> pdb=" O ILE Y 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE Y 220 " --> pdb=" O VAL Y 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN Y 103 " --> pdb=" O THR Y 163 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N THR Y 163 " --> pdb=" O ASN Y 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET Y 161 " --> pdb=" O GLY Y 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE Y 159 " --> pdb=" O GLY Y 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU Y 111 " --> pdb=" O ARG Y 155 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N ARG Y 155 " --> pdb=" O LEU Y 111 " (cutoff:3.500A) removed outlier: 6.728A pdb=" N TYR Y 113 " --> pdb=" O VAL Y 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL Y 153 " --> pdb=" O TYR Y 113 " (cutoff:3.500A) Processing sheet with id=AI4, first strand: chain 'Z' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE Z 238 " --> pdb=" O GLN Z 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN Z 43 " --> pdb=" O LEU Z 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR Z 234 " --> pdb=" O LEU Z 45 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N ALA Z 87 " --> pdb=" O ARG Z 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS Z 85 " --> pdb=" O TYR Z 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS Z 239 " --> pdb=" O THR Z 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR Z 83 " --> pdb=" O LYS Z 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE Z 185 " --> pdb=" O PHE Z 92 " (cutoff:3.500A) Processing sheet with id=AI5, first strand: chain 'Z' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE Z 228 " --> pdb=" O VAL Z 55 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N ALA Z 87 " --> pdb=" O ARG Z 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS Z 85 " --> pdb=" O TYR Z 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS Z 239 " --> pdb=" O THR Z 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR Z 83 " --> pdb=" O LYS Z 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL Z 196 " --> pdb=" O THR Z 83 " (cutoff:3.500A) removed outlier: 6.895A pdb=" N GLN Z 199 " --> pdb=" O GLN Z 212 " (cutoff:3.500A) Processing sheet with id=AI6, first strand: chain 'Z' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL Z 60 " --> pdb=" O ILE Z 220 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N ILE Z 220 " --> pdb=" O VAL Z 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN Z 103 " --> pdb=" O THR Z 163 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N THR Z 163 " --> pdb=" O ASN Z 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET Z 161 " --> pdb=" O GLY Z 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE Z 159 " --> pdb=" O GLY Z 107 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU Z 111 " --> pdb=" O ARG Z 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG Z 155 " --> pdb=" O LEU Z 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR Z 113 " --> pdb=" O VAL Z 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL Z 153 " --> pdb=" O TYR Z 113 " (cutoff:3.500A) Processing sheet with id=AI7, first strand: chain 'a' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE a 238 " --> pdb=" O GLN a 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN a 43 " --> pdb=" O LEU a 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR a 234 " --> pdb=" O LEU a 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA a 87 " --> pdb=" O ARG a 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS a 85 " --> pdb=" O TYR a 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS a 239 " --> pdb=" O THR a 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR a 83 " --> pdb=" O LYS a 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE a 185 " --> pdb=" O PHE a 92 " (cutoff:3.500A) Processing sheet with id=AI8, first strand: chain 'a' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE a 228 " --> pdb=" O VAL a 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA a 87 " --> pdb=" O ARG a 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS a 85 " --> pdb=" O TYR a 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS a 239 " --> pdb=" O THR a 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR a 83 " --> pdb=" O LYS a 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL a 196 " --> pdb=" O THR a 83 " (cutoff:3.500A) removed outlier: 6.895A pdb=" N GLN a 199 " --> pdb=" O GLN a 212 " (cutoff:3.500A) Processing sheet with id=AI9, first strand: chain 'a' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL a 60 " --> pdb=" O ILE a 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE a 220 " --> pdb=" O VAL a 60 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASN a 103 " --> pdb=" O THR a 163 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N THR a 163 " --> pdb=" O ASN a 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET a 161 " --> pdb=" O GLY a 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE a 159 " --> pdb=" O GLY a 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU a 111 " --> pdb=" O ARG a 155 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N ARG a 155 " --> pdb=" O LEU a 111 " (cutoff:3.500A) removed outlier: 6.726A pdb=" N TYR a 113 " --> pdb=" O VAL a 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL a 153 " --> pdb=" O TYR a 113 " (cutoff:3.500A) Processing sheet with id=AJ1, first strand: chain 'b' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE b 238 " --> pdb=" O GLN b 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN b 43 " --> pdb=" O LEU b 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR b 234 " --> pdb=" O LEU b 45 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N ALA b 87 " --> pdb=" O ARG b 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS b 85 " --> pdb=" O TYR b 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS b 239 " --> pdb=" O THR b 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR b 83 " --> pdb=" O LYS b 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE b 185 " --> pdb=" O PHE b 92 " (cutoff:3.500A) Processing sheet with id=AJ2, first strand: chain 'b' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE b 228 " --> pdb=" O VAL b 55 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N ALA b 87 " --> pdb=" O ARG b 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS b 85 " --> pdb=" O TYR b 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS b 239 " --> pdb=" O THR b 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR b 83 " --> pdb=" O LYS b 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL b 196 " --> pdb=" O THR b 83 " (cutoff:3.500A) removed outlier: 6.895A pdb=" N GLN b 199 " --> pdb=" O GLN b 212 " (cutoff:3.500A) Processing sheet with id=AJ3, first strand: chain 'b' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL b 60 " --> pdb=" O ILE b 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE b 220 " --> pdb=" O VAL b 60 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASN b 103 " --> pdb=" O THR b 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR b 163 " --> pdb=" O ASN b 103 " (cutoff:3.500A) removed outlier: 3.934A pdb=" N MET b 161 " --> pdb=" O GLY b 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE b 159 " --> pdb=" O GLY b 107 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU b 111 " --> pdb=" O ARG b 155 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N ARG b 155 " --> pdb=" O LEU b 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR b 113 " --> pdb=" O VAL b 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL b 153 " --> pdb=" O TYR b 113 " (cutoff:3.500A) Processing sheet with id=AJ4, first strand: chain 'c' and resid 41 through 47 removed outlier: 3.653A pdb=" N PHE c 238 " --> pdb=" O GLN c 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN c 43 " --> pdb=" O LEU c 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR c 234 " --> pdb=" O LEU c 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA c 87 " --> pdb=" O ARG c 235 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N LYS c 85 " --> pdb=" O TYR c 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS c 239 " --> pdb=" O THR c 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR c 83 " --> pdb=" O LYS c 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE c 185 " --> pdb=" O PHE c 92 " (cutoff:3.500A) Processing sheet with id=AJ5, first strand: chain 'c' and resid 54 through 55 removed outlier: 4.064A pdb=" N PHE c 228 " --> pdb=" O VAL c 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA c 87 " --> pdb=" O ARG c 235 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N LYS c 85 " --> pdb=" O TYR c 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS c 239 " --> pdb=" O THR c 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR c 83 " --> pdb=" O LYS c 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL c 196 " --> pdb=" O THR c 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN c 199 " --> pdb=" O GLN c 212 " (cutoff:3.500A) Processing sheet with id=AJ6, first strand: chain 'c' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL c 60 " --> pdb=" O ILE c 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE c 220 " --> pdb=" O VAL c 60 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASN c 103 " --> pdb=" O THR c 163 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N THR c 163 " --> pdb=" O ASN c 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET c 161 " --> pdb=" O GLY c 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE c 159 " --> pdb=" O GLY c 107 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU c 111 " --> pdb=" O ARG c 155 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N ARG c 155 " --> pdb=" O LEU c 111 " (cutoff:3.500A) removed outlier: 6.726A pdb=" N TYR c 113 " --> pdb=" O VAL c 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL c 153 " --> pdb=" O TYR c 113 " (cutoff:3.500A) Processing sheet with id=AJ7, first strand: chain 'd' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE d 238 " --> pdb=" O GLN d 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN d 43 " --> pdb=" O LEU d 236 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N THR d 234 " --> pdb=" O LEU d 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA d 87 " --> pdb=" O ARG d 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS d 85 " --> pdb=" O TYR d 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS d 239 " --> pdb=" O THR d 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR d 83 " --> pdb=" O LYS d 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE d 185 " --> pdb=" O PHE d 92 " (cutoff:3.500A) Processing sheet with id=AJ8, first strand: chain 'd' and resid 54 through 55 removed outlier: 4.064A pdb=" N PHE d 228 " --> pdb=" O VAL d 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA d 87 " --> pdb=" O ARG d 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS d 85 " --> pdb=" O TYR d 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS d 239 " --> pdb=" O THR d 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR d 83 " --> pdb=" O LYS d 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL d 196 " --> pdb=" O THR d 83 " (cutoff:3.500A) removed outlier: 6.895A pdb=" N GLN d 199 " --> pdb=" O GLN d 212 " (cutoff:3.500A) Processing sheet with id=AJ9, first strand: chain 'd' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL d 60 " --> pdb=" O ILE d 220 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE d 220 " --> pdb=" O VAL d 60 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASN d 103 " --> pdb=" O THR d 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR d 163 " --> pdb=" O ASN d 103 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N MET d 161 " --> pdb=" O GLY d 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE d 159 " --> pdb=" O GLY d 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU d 111 " --> pdb=" O ARG d 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG d 155 " --> pdb=" O LEU d 111 " (cutoff:3.500A) removed outlier: 6.726A pdb=" N TYR d 113 " --> pdb=" O VAL d 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL d 153 " --> pdb=" O TYR d 113 " (cutoff:3.500A) Processing sheet with id=AK1, first strand: chain 'e' and resid 41 through 47 removed outlier: 3.653A pdb=" N PHE e 238 " --> pdb=" O GLN e 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN e 43 " --> pdb=" O LEU e 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR e 234 " --> pdb=" O LEU e 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA e 87 " --> pdb=" O ARG e 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS e 85 " --> pdb=" O TYR e 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS e 239 " --> pdb=" O THR e 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR e 83 " --> pdb=" O LYS e 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE e 185 " --> pdb=" O PHE e 92 " (cutoff:3.500A) Processing sheet with id=AK2, first strand: chain 'e' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE e 228 " --> pdb=" O VAL e 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA e 87 " --> pdb=" O ARG e 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS e 85 " --> pdb=" O TYR e 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS e 239 " --> pdb=" O THR e 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR e 83 " --> pdb=" O LYS e 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL e 196 " --> pdb=" O THR e 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN e 199 " --> pdb=" O GLN e 212 " (cutoff:3.500A) Processing sheet with id=AK3, first strand: chain 'e' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL e 60 " --> pdb=" O ILE e 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE e 220 " --> pdb=" O VAL e 60 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASN e 103 " --> pdb=" O THR e 163 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N THR e 163 " --> pdb=" O ASN e 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET e 161 " --> pdb=" O GLY e 105 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N PHE e 159 " --> pdb=" O GLY e 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU e 111 " --> pdb=" O ARG e 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG e 155 " --> pdb=" O LEU e 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR e 113 " --> pdb=" O VAL e 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL e 153 " --> pdb=" O TYR e 113 " (cutoff:3.500A) Processing sheet with id=AK4, first strand: chain 'f' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE f 238 " --> pdb=" O GLN f 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN f 43 " --> pdb=" O LEU f 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR f 234 " --> pdb=" O LEU f 45 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N ALA f 87 " --> pdb=" O ARG f 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS f 85 " --> pdb=" O TYR f 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS f 239 " --> pdb=" O THR f 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR f 83 " --> pdb=" O LYS f 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE f 185 " --> pdb=" O PHE f 92 " (cutoff:3.500A) Processing sheet with id=AK5, first strand: chain 'f' and resid 54 through 55 removed outlier: 4.064A pdb=" N PHE f 228 " --> pdb=" O VAL f 55 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N ALA f 87 " --> pdb=" O ARG f 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS f 85 " --> pdb=" O TYR f 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS f 239 " --> pdb=" O THR f 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR f 83 " --> pdb=" O LYS f 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL f 196 " --> pdb=" O THR f 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN f 199 " --> pdb=" O GLN f 212 " (cutoff:3.500A) Processing sheet with id=AK6, first strand: chain 'f' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL f 60 " --> pdb=" O ILE f 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE f 220 " --> pdb=" O VAL f 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN f 103 " --> pdb=" O THR f 163 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N THR f 163 " --> pdb=" O ASN f 103 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N MET f 161 " --> pdb=" O GLY f 105 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N PHE f 159 " --> pdb=" O GLY f 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU f 111 " --> pdb=" O ARG f 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG f 155 " --> pdb=" O LEU f 111 " (cutoff:3.500A) removed outlier: 6.728A pdb=" N TYR f 113 " --> pdb=" O VAL f 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL f 153 " --> pdb=" O TYR f 113 " (cutoff:3.500A) Processing sheet with id=AK7, first strand: chain 'g' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE g 238 " --> pdb=" O GLN g 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN g 43 " --> pdb=" O LEU g 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR g 234 " --> pdb=" O LEU g 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA g 87 " --> pdb=" O ARG g 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS g 85 " --> pdb=" O TYR g 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS g 239 " --> pdb=" O THR g 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR g 83 " --> pdb=" O LYS g 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE g 185 " --> pdb=" O PHE g 92 " (cutoff:3.500A) Processing sheet with id=AK8, first strand: chain 'g' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE g 228 " --> pdb=" O VAL g 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA g 87 " --> pdb=" O ARG g 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS g 85 " --> pdb=" O TYR g 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS g 239 " --> pdb=" O THR g 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR g 83 " --> pdb=" O LYS g 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL g 196 " --> pdb=" O THR g 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN g 199 " --> pdb=" O GLN g 212 " (cutoff:3.500A) Processing sheet with id=AK9, first strand: chain 'g' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL g 60 " --> pdb=" O ILE g 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE g 220 " --> pdb=" O VAL g 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN g 103 " --> pdb=" O THR g 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR g 163 " --> pdb=" O ASN g 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET g 161 " --> pdb=" O GLY g 105 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N PHE g 159 " --> pdb=" O GLY g 107 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU g 111 " --> pdb=" O ARG g 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG g 155 " --> pdb=" O LEU g 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR g 113 " --> pdb=" O VAL g 153 " (cutoff:3.500A) removed outlier: 5.411A pdb=" N VAL g 153 " --> pdb=" O TYR g 113 " (cutoff:3.500A) Processing sheet with id=AL1, first strand: chain 'h' and resid 41 through 47 removed outlier: 3.653A pdb=" N PHE h 238 " --> pdb=" O GLN h 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN h 43 " --> pdb=" O LEU h 236 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N THR h 234 " --> pdb=" O LEU h 45 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N ALA h 87 " --> pdb=" O ARG h 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS h 85 " --> pdb=" O TYR h 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS h 239 " --> pdb=" O THR h 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR h 83 " --> pdb=" O LYS h 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE h 185 " --> pdb=" O PHE h 92 " (cutoff:3.500A) Processing sheet with id=AL2, first strand: chain 'h' and resid 54 through 55 removed outlier: 4.064A pdb=" N PHE h 228 " --> pdb=" O VAL h 55 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N ALA h 87 " --> pdb=" O ARG h 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS h 85 " --> pdb=" O TYR h 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS h 239 " --> pdb=" O THR h 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR h 83 " --> pdb=" O LYS h 239 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N VAL h 196 " --> pdb=" O THR h 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN h 199 " --> pdb=" O GLN h 212 " (cutoff:3.500A) Processing sheet with id=AL3, first strand: chain 'h' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL h 60 " --> pdb=" O ILE h 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE h 220 " --> pdb=" O VAL h 60 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASN h 103 " --> pdb=" O THR h 163 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N THR h 163 " --> pdb=" O ASN h 103 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N MET h 161 " --> pdb=" O GLY h 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE h 159 " --> pdb=" O GLY h 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU h 111 " --> pdb=" O ARG h 155 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N ARG h 155 " --> pdb=" O LEU h 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR h 113 " --> pdb=" O VAL h 153 " (cutoff:3.500A) removed outlier: 5.411A pdb=" N VAL h 153 " --> pdb=" O TYR h 113 " (cutoff:3.500A) Processing sheet with id=AL4, first strand: chain 'i' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE i 238 " --> pdb=" O GLN i 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN i 43 " --> pdb=" O LEU i 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR i 234 " --> pdb=" O LEU i 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA i 87 " --> pdb=" O ARG i 235 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N LYS i 85 " --> pdb=" O TYR i 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS i 239 " --> pdb=" O THR i 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR i 83 " --> pdb=" O LYS i 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE i 185 " --> pdb=" O PHE i 92 " (cutoff:3.500A) Processing sheet with id=AL5, first strand: chain 'i' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE i 228 " --> pdb=" O VAL i 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA i 87 " --> pdb=" O ARG i 235 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N LYS i 85 " --> pdb=" O TYR i 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS i 239 " --> pdb=" O THR i 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR i 83 " --> pdb=" O LYS i 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL i 196 " --> pdb=" O THR i 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN i 199 " --> pdb=" O GLN i 212 " (cutoff:3.500A) Processing sheet with id=AL6, first strand: chain 'i' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL i 60 " --> pdb=" O ILE i 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE i 220 " --> pdb=" O VAL i 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN i 103 " --> pdb=" O THR i 163 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N THR i 163 " --> pdb=" O ASN i 103 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N MET i 161 " --> pdb=" O GLY i 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE i 159 " --> pdb=" O GLY i 107 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU i 111 " --> pdb=" O ARG i 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG i 155 " --> pdb=" O LEU i 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR i 113 " --> pdb=" O VAL i 153 " (cutoff:3.500A) removed outlier: 5.411A pdb=" N VAL i 153 " --> pdb=" O TYR i 113 " (cutoff:3.500A) Processing sheet with id=AL7, first strand: chain 'j' and resid 41 through 47 removed outlier: 3.653A pdb=" N PHE j 238 " --> pdb=" O GLN j 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN j 43 " --> pdb=" O LEU j 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR j 234 " --> pdb=" O LEU j 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA j 87 " --> pdb=" O ARG j 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS j 85 " --> pdb=" O TYR j 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS j 239 " --> pdb=" O THR j 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR j 83 " --> pdb=" O LYS j 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE j 185 " --> pdb=" O PHE j 92 " (cutoff:3.500A) Processing sheet with id=AL8, first strand: chain 'j' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE j 228 " --> pdb=" O VAL j 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA j 87 " --> pdb=" O ARG j 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS j 85 " --> pdb=" O TYR j 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS j 239 " --> pdb=" O THR j 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR j 83 " --> pdb=" O LYS j 239 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N VAL j 196 " --> pdb=" O THR j 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN j 199 " --> pdb=" O GLN j 212 " (cutoff:3.500A) Processing sheet with id=AL9, first strand: chain 'j' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL j 60 " --> pdb=" O ILE j 220 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N ILE j 220 " --> pdb=" O VAL j 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN j 103 " --> pdb=" O THR j 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR j 163 " --> pdb=" O ASN j 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET j 161 " --> pdb=" O GLY j 105 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N PHE j 159 " --> pdb=" O GLY j 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU j 111 " --> pdb=" O ARG j 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG j 155 " --> pdb=" O LEU j 111 " (cutoff:3.500A) removed outlier: 6.728A pdb=" N TYR j 113 " --> pdb=" O VAL j 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL j 153 " --> pdb=" O TYR j 113 " (cutoff:3.500A) Processing sheet with id=AM1, first strand: chain 'k' and resid 41 through 47 removed outlier: 3.653A pdb=" N PHE k 238 " --> pdb=" O GLN k 41 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N GLN k 43 " --> pdb=" O LEU k 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR k 234 " --> pdb=" O LEU k 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA k 87 " --> pdb=" O ARG k 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS k 85 " --> pdb=" O TYR k 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS k 239 " --> pdb=" O THR k 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR k 83 " --> pdb=" O LYS k 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE k 185 " --> pdb=" O PHE k 92 " (cutoff:3.500A) Processing sheet with id=AM2, first strand: chain 'k' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE k 228 " --> pdb=" O VAL k 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA k 87 " --> pdb=" O ARG k 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS k 85 " --> pdb=" O TYR k 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS k 239 " --> pdb=" O THR k 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR k 83 " --> pdb=" O LYS k 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL k 196 " --> pdb=" O THR k 83 " (cutoff:3.500A) removed outlier: 6.895A pdb=" N GLN k 199 " --> pdb=" O GLN k 212 " (cutoff:3.500A) Processing sheet with id=AM3, first strand: chain 'k' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL k 60 " --> pdb=" O ILE k 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE k 220 " --> pdb=" O VAL k 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN k 103 " --> pdb=" O THR k 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR k 163 " --> pdb=" O ASN k 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET k 161 " --> pdb=" O GLY k 105 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N PHE k 159 " --> pdb=" O GLY k 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU k 111 " --> pdb=" O ARG k 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG k 155 " --> pdb=" O LEU k 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR k 113 " --> pdb=" O VAL k 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL k 153 " --> pdb=" O TYR k 113 " (cutoff:3.500A) Processing sheet with id=AM4, first strand: chain 'l' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE l 238 " --> pdb=" O GLN l 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN l 43 " --> pdb=" O LEU l 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR l 234 " --> pdb=" O LEU l 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA l 87 " --> pdb=" O ARG l 235 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N LYS l 85 " --> pdb=" O TYR l 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS l 239 " --> pdb=" O THR l 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR l 83 " --> pdb=" O LYS l 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE l 185 " --> pdb=" O PHE l 92 " (cutoff:3.500A) Processing sheet with id=AM5, first strand: chain 'l' and resid 54 through 55 removed outlier: 4.066A pdb=" N PHE l 228 " --> pdb=" O VAL l 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA l 87 " --> pdb=" O ARG l 235 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N LYS l 85 " --> pdb=" O TYR l 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS l 239 " --> pdb=" O THR l 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR l 83 " --> pdb=" O LYS l 239 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N VAL l 196 " --> pdb=" O THR l 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN l 199 " --> pdb=" O GLN l 212 " (cutoff:3.500A) Processing sheet with id=AM6, first strand: chain 'l' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL l 60 " --> pdb=" O ILE l 220 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE l 220 " --> pdb=" O VAL l 60 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASN l 103 " --> pdb=" O THR l 163 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N THR l 163 " --> pdb=" O ASN l 103 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N MET l 161 " --> pdb=" O GLY l 105 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N PHE l 159 " --> pdb=" O GLY l 107 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU l 111 " --> pdb=" O ARG l 155 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N ARG l 155 " --> pdb=" O LEU l 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR l 113 " --> pdb=" O VAL l 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL l 153 " --> pdb=" O TYR l 113 " (cutoff:3.500A) Processing sheet with id=AM7, first strand: chain 'm' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE m 238 " --> pdb=" O GLN m 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN m 43 " --> pdb=" O LEU m 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR m 234 " --> pdb=" O LEU m 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA m 87 " --> pdb=" O ARG m 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS m 85 " --> pdb=" O TYR m 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS m 239 " --> pdb=" O THR m 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR m 83 " --> pdb=" O LYS m 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE m 185 " --> pdb=" O PHE m 92 " (cutoff:3.500A) Processing sheet with id=AM8, first strand: chain 'm' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE m 228 " --> pdb=" O VAL m 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA m 87 " --> pdb=" O ARG m 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS m 85 " --> pdb=" O TYR m 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS m 239 " --> pdb=" O THR m 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR m 83 " --> pdb=" O LYS m 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL m 196 " --> pdb=" O THR m 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN m 199 " --> pdb=" O GLN m 212 " (cutoff:3.500A) Processing sheet with id=AM9, first strand: chain 'm' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL m 60 " --> pdb=" O ILE m 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE m 220 " --> pdb=" O VAL m 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN m 103 " --> pdb=" O THR m 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR m 163 " --> pdb=" O ASN m 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET m 161 " --> pdb=" O GLY m 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE m 159 " --> pdb=" O GLY m 107 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU m 111 " --> pdb=" O ARG m 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG m 155 " --> pdb=" O LEU m 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR m 113 " --> pdb=" O VAL m 153 " (cutoff:3.500A) removed outlier: 5.413A pdb=" N VAL m 153 " --> pdb=" O TYR m 113 " (cutoff:3.500A) Processing sheet with id=AN1, first strand: chain 'n' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE n 238 " --> pdb=" O GLN n 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN n 43 " --> pdb=" O LEU n 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR n 234 " --> pdb=" O LEU n 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA n 87 " --> pdb=" O ARG n 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS n 85 " --> pdb=" O TYR n 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS n 239 " --> pdb=" O THR n 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR n 83 " --> pdb=" O LYS n 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE n 185 " --> pdb=" O PHE n 92 " (cutoff:3.500A) Processing sheet with id=AN2, first strand: chain 'n' and resid 54 through 55 removed outlier: 4.064A pdb=" N PHE n 228 " --> pdb=" O VAL n 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA n 87 " --> pdb=" O ARG n 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS n 85 " --> pdb=" O TYR n 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS n 239 " --> pdb=" O THR n 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR n 83 " --> pdb=" O LYS n 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL n 196 " --> pdb=" O THR n 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN n 199 " --> pdb=" O GLN n 212 " (cutoff:3.500A) Processing sheet with id=AN3, first strand: chain 'n' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL n 60 " --> pdb=" O ILE n 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE n 220 " --> pdb=" O VAL n 60 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASN n 103 " --> pdb=" O THR n 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR n 163 " --> pdb=" O ASN n 103 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N MET n 161 " --> pdb=" O GLY n 105 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N PHE n 159 " --> pdb=" O GLY n 107 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N LEU n 111 " --> pdb=" O ARG n 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG n 155 " --> pdb=" O LEU n 111 " (cutoff:3.500A) removed outlier: 6.726A pdb=" N TYR n 113 " --> pdb=" O VAL n 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL n 153 " --> pdb=" O TYR n 113 " (cutoff:3.500A) Processing sheet with id=AN4, first strand: chain 'o' and resid 41 through 47 removed outlier: 3.653A pdb=" N PHE o 238 " --> pdb=" O GLN o 41 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N GLN o 43 " --> pdb=" O LEU o 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR o 234 " --> pdb=" O LEU o 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA o 87 " --> pdb=" O ARG o 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS o 85 " --> pdb=" O TYR o 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS o 239 " --> pdb=" O THR o 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR o 83 " --> pdb=" O LYS o 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE o 185 " --> pdb=" O PHE o 92 " (cutoff:3.500A) Processing sheet with id=AN5, first strand: chain 'o' and resid 54 through 55 removed outlier: 4.064A pdb=" N PHE o 228 " --> pdb=" O VAL o 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA o 87 " --> pdb=" O ARG o 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS o 85 " --> pdb=" O TYR o 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS o 239 " --> pdb=" O THR o 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR o 83 " --> pdb=" O LYS o 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL o 196 " --> pdb=" O THR o 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN o 199 " --> pdb=" O GLN o 212 " (cutoff:3.500A) Processing sheet with id=AN6, first strand: chain 'o' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL o 60 " --> pdb=" O ILE o 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE o 220 " --> pdb=" O VAL o 60 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASN o 103 " --> pdb=" O THR o 163 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N THR o 163 " --> pdb=" O ASN o 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET o 161 " --> pdb=" O GLY o 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE o 159 " --> pdb=" O GLY o 107 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU o 111 " --> pdb=" O ARG o 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG o 155 " --> pdb=" O LEU o 111 " (cutoff:3.500A) removed outlier: 6.726A pdb=" N TYR o 113 " --> pdb=" O VAL o 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL o 153 " --> pdb=" O TYR o 113 " (cutoff:3.500A) Processing sheet with id=AN7, first strand: chain 'p' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE p 238 " --> pdb=" O GLN p 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN p 43 " --> pdb=" O LEU p 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR p 234 " --> pdb=" O LEU p 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA p 87 " --> pdb=" O ARG p 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS p 85 " --> pdb=" O TYR p 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS p 239 " --> pdb=" O THR p 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR p 83 " --> pdb=" O LYS p 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE p 185 " --> pdb=" O PHE p 92 " (cutoff:3.500A) Processing sheet with id=AN8, first strand: chain 'p' and resid 54 through 55 removed outlier: 4.064A pdb=" N PHE p 228 " --> pdb=" O VAL p 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA p 87 " --> pdb=" O ARG p 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS p 85 " --> pdb=" O TYR p 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS p 239 " --> pdb=" O THR p 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR p 83 " --> pdb=" O LYS p 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL p 196 " --> pdb=" O THR p 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN p 199 " --> pdb=" O GLN p 212 " (cutoff:3.500A) Processing sheet with id=AN9, first strand: chain 'p' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL p 60 " --> pdb=" O ILE p 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE p 220 " --> pdb=" O VAL p 60 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASN p 103 " --> pdb=" O THR p 163 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N THR p 163 " --> pdb=" O ASN p 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET p 161 " --> pdb=" O GLY p 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE p 159 " --> pdb=" O GLY p 107 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU p 111 " --> pdb=" O ARG p 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG p 155 " --> pdb=" O LEU p 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR p 113 " --> pdb=" O VAL p 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL p 153 " --> pdb=" O TYR p 113 " (cutoff:3.500A) Processing sheet with id=AO1, first strand: chain 'q' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE q 238 " --> pdb=" O GLN q 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN q 43 " --> pdb=" O LEU q 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR q 234 " --> pdb=" O LEU q 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA q 87 " --> pdb=" O ARG q 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS q 85 " --> pdb=" O TYR q 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS q 239 " --> pdb=" O THR q 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR q 83 " --> pdb=" O LYS q 239 " (cutoff:3.500A) removed outlier: 3.880A pdb=" N ILE q 185 " --> pdb=" O PHE q 92 " (cutoff:3.500A) Processing sheet with id=AO2, first strand: chain 'q' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE q 228 " --> pdb=" O VAL q 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA q 87 " --> pdb=" O ARG q 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS q 85 " --> pdb=" O TYR q 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS q 239 " --> pdb=" O THR q 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR q 83 " --> pdb=" O LYS q 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL q 196 " --> pdb=" O THR q 83 " (cutoff:3.500A) removed outlier: 6.897A pdb=" N GLN q 199 " --> pdb=" O GLN q 212 " (cutoff:3.500A) Processing sheet with id=AO3, first strand: chain 'q' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL q 60 " --> pdb=" O ILE q 220 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N ILE q 220 " --> pdb=" O VAL q 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN q 103 " --> pdb=" O THR q 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR q 163 " --> pdb=" O ASN q 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET q 161 " --> pdb=" O GLY q 105 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N PHE q 159 " --> pdb=" O GLY q 107 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU q 111 " --> pdb=" O ARG q 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG q 155 " --> pdb=" O LEU q 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR q 113 " --> pdb=" O VAL q 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL q 153 " --> pdb=" O TYR q 113 " (cutoff:3.500A) Processing sheet with id=AO4, first strand: chain 'r' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE r 238 " --> pdb=" O GLN r 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN r 43 " --> pdb=" O LEU r 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR r 234 " --> pdb=" O LEU r 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA r 87 " --> pdb=" O ARG r 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS r 85 " --> pdb=" O TYR r 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS r 239 " --> pdb=" O THR r 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR r 83 " --> pdb=" O LYS r 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE r 185 " --> pdb=" O PHE r 92 " (cutoff:3.500A) Processing sheet with id=AO5, first strand: chain 'r' and resid 54 through 55 removed outlier: 4.064A pdb=" N PHE r 228 " --> pdb=" O VAL r 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA r 87 " --> pdb=" O ARG r 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS r 85 " --> pdb=" O TYR r 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS r 239 " --> pdb=" O THR r 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR r 83 " --> pdb=" O LYS r 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL r 196 " --> pdb=" O THR r 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN r 199 " --> pdb=" O GLN r 212 " (cutoff:3.500A) Processing sheet with id=AO6, first strand: chain 'r' and resid 60 through 63 removed outlier: 3.637A pdb=" N VAL r 60 " --> pdb=" O ILE r 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE r 220 " --> pdb=" O VAL r 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN r 103 " --> pdb=" O THR r 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR r 163 " --> pdb=" O ASN r 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET r 161 " --> pdb=" O GLY r 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE r 159 " --> pdb=" O GLY r 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU r 111 " --> pdb=" O ARG r 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG r 155 " --> pdb=" O LEU r 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR r 113 " --> pdb=" O VAL r 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL r 153 " --> pdb=" O TYR r 113 " (cutoff:3.500A) Processing sheet with id=AO7, first strand: chain 's' and resid 41 through 47 removed outlier: 3.653A pdb=" N PHE s 238 " --> pdb=" O GLN s 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN s 43 " --> pdb=" O LEU s 236 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N THR s 234 " --> pdb=" O LEU s 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA s 87 " --> pdb=" O ARG s 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS s 85 " --> pdb=" O TYR s 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS s 239 " --> pdb=" O THR s 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR s 83 " --> pdb=" O LYS s 239 " (cutoff:3.500A) removed outlier: 3.880A pdb=" N ILE s 185 " --> pdb=" O PHE s 92 " (cutoff:3.500A) Processing sheet with id=AO8, first strand: chain 's' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE s 228 " --> pdb=" O VAL s 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA s 87 " --> pdb=" O ARG s 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS s 85 " --> pdb=" O TYR s 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS s 239 " --> pdb=" O THR s 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR s 83 " --> pdb=" O LYS s 239 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N VAL s 196 " --> pdb=" O THR s 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN s 199 " --> pdb=" O GLN s 212 " (cutoff:3.500A) Processing sheet with id=AO9, first strand: chain 's' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL s 60 " --> pdb=" O ILE s 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE s 220 " --> pdb=" O VAL s 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN s 103 " --> pdb=" O THR s 163 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N THR s 163 " --> pdb=" O ASN s 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET s 161 " --> pdb=" O GLY s 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE s 159 " --> pdb=" O GLY s 107 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU s 111 " --> pdb=" O ARG s 155 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N ARG s 155 " --> pdb=" O LEU s 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR s 113 " --> pdb=" O VAL s 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL s 153 " --> pdb=" O TYR s 113 " (cutoff:3.500A) Processing sheet with id=AP1, first strand: chain 't' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE t 238 " --> pdb=" O GLN t 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN t 43 " --> pdb=" O LEU t 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR t 234 " --> pdb=" O LEU t 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA t 87 " --> pdb=" O ARG t 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS t 85 " --> pdb=" O TYR t 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS t 239 " --> pdb=" O THR t 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR t 83 " --> pdb=" O LYS t 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE t 185 " --> pdb=" O PHE t 92 " (cutoff:3.500A) Processing sheet with id=AP2, first strand: chain 't' and resid 54 through 55 removed outlier: 4.064A pdb=" N PHE t 228 " --> pdb=" O VAL t 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA t 87 " --> pdb=" O ARG t 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS t 85 " --> pdb=" O TYR t 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS t 239 " --> pdb=" O THR t 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR t 83 " --> pdb=" O LYS t 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL t 196 " --> pdb=" O THR t 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN t 199 " --> pdb=" O GLN t 212 " (cutoff:3.500A) Processing sheet with id=AP3, first strand: chain 't' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL t 60 " --> pdb=" O ILE t 220 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N ILE t 220 " --> pdb=" O VAL t 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN t 103 " --> pdb=" O THR t 163 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N THR t 163 " --> pdb=" O ASN t 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET t 161 " --> pdb=" O GLY t 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE t 159 " --> pdb=" O GLY t 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU t 111 " --> pdb=" O ARG t 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG t 155 " --> pdb=" O LEU t 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR t 113 " --> pdb=" O VAL t 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL t 153 " --> pdb=" O TYR t 113 " (cutoff:3.500A) Processing sheet with id=AP4, first strand: chain 'u' and resid 41 through 47 removed outlier: 3.653A pdb=" N PHE u 238 " --> pdb=" O GLN u 41 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N GLN u 43 " --> pdb=" O LEU u 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR u 234 " --> pdb=" O LEU u 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA u 87 " --> pdb=" O ARG u 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS u 85 " --> pdb=" O TYR u 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS u 239 " --> pdb=" O THR u 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR u 83 " --> pdb=" O LYS u 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE u 185 " --> pdb=" O PHE u 92 " (cutoff:3.500A) Processing sheet with id=AP5, first strand: chain 'u' and resid 54 through 55 removed outlier: 4.064A pdb=" N PHE u 228 " --> pdb=" O VAL u 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA u 87 " --> pdb=" O ARG u 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS u 85 " --> pdb=" O TYR u 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS u 239 " --> pdb=" O THR u 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR u 83 " --> pdb=" O LYS u 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL u 196 " --> pdb=" O THR u 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN u 199 " --> pdb=" O GLN u 212 " (cutoff:3.500A) Processing sheet with id=AP6, first strand: chain 'u' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL u 60 " --> pdb=" O ILE u 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE u 220 " --> pdb=" O VAL u 60 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASN u 103 " --> pdb=" O THR u 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR u 163 " --> pdb=" O ASN u 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET u 161 " --> pdb=" O GLY u 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE u 159 " --> pdb=" O GLY u 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU u 111 " --> pdb=" O ARG u 155 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N ARG u 155 " --> pdb=" O LEU u 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR u 113 " --> pdb=" O VAL u 153 " (cutoff:3.500A) removed outlier: 5.413A pdb=" N VAL u 153 " --> pdb=" O TYR u 113 " (cutoff:3.500A) Processing sheet with id=AP7, first strand: chain 'v' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE v 238 " --> pdb=" O GLN v 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN v 43 " --> pdb=" O LEU v 236 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N THR v 234 " --> pdb=" O LEU v 45 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N ALA v 87 " --> pdb=" O ARG v 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS v 85 " --> pdb=" O TYR v 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS v 239 " --> pdb=" O THR v 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR v 83 " --> pdb=" O LYS v 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE v 185 " --> pdb=" O PHE v 92 " (cutoff:3.500A) Processing sheet with id=AP8, first strand: chain 'v' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE v 228 " --> pdb=" O VAL v 55 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N ALA v 87 " --> pdb=" O ARG v 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS v 85 " --> pdb=" O TYR v 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS v 239 " --> pdb=" O THR v 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR v 83 " --> pdb=" O LYS v 239 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N VAL v 196 " --> pdb=" O THR v 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN v 199 " --> pdb=" O GLN v 212 " (cutoff:3.500A) Processing sheet with id=AP9, first strand: chain 'v' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL v 60 " --> pdb=" O ILE v 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE v 220 " --> pdb=" O VAL v 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN v 103 " --> pdb=" O THR v 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR v 163 " --> pdb=" O ASN v 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET v 161 " --> pdb=" O GLY v 105 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N PHE v 159 " --> pdb=" O GLY v 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU v 111 " --> pdb=" O ARG v 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG v 155 " --> pdb=" O LEU v 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR v 113 " --> pdb=" O VAL v 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL v 153 " --> pdb=" O TYR v 113 " (cutoff:3.500A) Processing sheet with id=AQ1, first strand: chain 'w' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE w 238 " --> pdb=" O GLN w 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN w 43 " --> pdb=" O LEU w 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR w 234 " --> pdb=" O LEU w 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA w 87 " --> pdb=" O ARG w 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS w 85 " --> pdb=" O TYR w 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS w 239 " --> pdb=" O THR w 83 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N THR w 83 " --> pdb=" O LYS w 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE w 185 " --> pdb=" O PHE w 92 " (cutoff:3.500A) Processing sheet with id=AQ2, first strand: chain 'w' and resid 54 through 55 removed outlier: 4.064A pdb=" N PHE w 228 " --> pdb=" O VAL w 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA w 87 " --> pdb=" O ARG w 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS w 85 " --> pdb=" O TYR w 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS w 239 " --> pdb=" O THR w 83 " (cutoff:3.500A) removed outlier: 5.666A pdb=" N THR w 83 " --> pdb=" O LYS w 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL w 196 " --> pdb=" O THR w 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN w 199 " --> pdb=" O GLN w 212 " (cutoff:3.500A) Processing sheet with id=AQ3, first strand: chain 'w' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL w 60 " --> pdb=" O ILE w 220 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N ILE w 220 " --> pdb=" O VAL w 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN w 103 " --> pdb=" O THR w 163 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N THR w 163 " --> pdb=" O ASN w 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET w 161 " --> pdb=" O GLY w 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE w 159 " --> pdb=" O GLY w 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU w 111 " --> pdb=" O ARG w 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG w 155 " --> pdb=" O LEU w 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR w 113 " --> pdb=" O VAL w 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL w 153 " --> pdb=" O TYR w 113 " (cutoff:3.500A) Processing sheet with id=AQ4, first strand: chain 'x' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE x 238 " --> pdb=" O GLN x 41 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N GLN x 43 " --> pdb=" O LEU x 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR x 234 " --> pdb=" O LEU x 45 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N ALA x 87 " --> pdb=" O ARG x 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS x 85 " --> pdb=" O TYR x 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS x 239 " --> pdb=" O THR x 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR x 83 " --> pdb=" O LYS x 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE x 185 " --> pdb=" O PHE x 92 " (cutoff:3.500A) Processing sheet with id=AQ5, first strand: chain 'x' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE x 228 " --> pdb=" O VAL x 55 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N ALA x 87 " --> pdb=" O ARG x 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS x 85 " --> pdb=" O TYR x 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS x 239 " --> pdb=" O THR x 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR x 83 " --> pdb=" O LYS x 239 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N VAL x 196 " --> pdb=" O THR x 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN x 199 " --> pdb=" O GLN x 212 " (cutoff:3.500A) Processing sheet with id=AQ6, first strand: chain 'x' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL x 60 " --> pdb=" O ILE x 220 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N ILE x 220 " --> pdb=" O VAL x 60 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASN x 103 " --> pdb=" O THR x 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR x 163 " --> pdb=" O ASN x 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET x 161 " --> pdb=" O GLY x 105 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N PHE x 159 " --> pdb=" O GLY x 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU x 111 " --> pdb=" O ARG x 155 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N ARG x 155 " --> pdb=" O LEU x 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR x 113 " --> pdb=" O VAL x 153 " (cutoff:3.500A) removed outlier: 5.411A pdb=" N VAL x 153 " --> pdb=" O TYR x 113 " (cutoff:3.500A) Processing sheet with id=AQ7, first strand: chain 'y' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE y 238 " --> pdb=" O GLN y 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN y 43 " --> pdb=" O LEU y 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR y 234 " --> pdb=" O LEU y 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA y 87 " --> pdb=" O ARG y 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS y 85 " --> pdb=" O TYR y 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS y 239 " --> pdb=" O THR y 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR y 83 " --> pdb=" O LYS y 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE y 185 " --> pdb=" O PHE y 92 " (cutoff:3.500A) Processing sheet with id=AQ8, first strand: chain 'y' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE y 228 " --> pdb=" O VAL y 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA y 87 " --> pdb=" O ARG y 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS y 85 " --> pdb=" O TYR y 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS y 239 " --> pdb=" O THR y 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR y 83 " --> pdb=" O LYS y 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL y 196 " --> pdb=" O THR y 83 " (cutoff:3.500A) removed outlier: 6.895A pdb=" N GLN y 199 " --> pdb=" O GLN y 212 " (cutoff:3.500A) Processing sheet with id=AQ9, first strand: chain 'y' and resid 60 through 63 removed outlier: 3.637A pdb=" N VAL y 60 " --> pdb=" O ILE y 220 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N ILE y 220 " --> pdb=" O VAL y 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN y 103 " --> pdb=" O THR y 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR y 163 " --> pdb=" O ASN y 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET y 161 " --> pdb=" O GLY y 105 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N PHE y 159 " --> pdb=" O GLY y 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU y 111 " --> pdb=" O ARG y 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG y 155 " --> pdb=" O LEU y 111 " (cutoff:3.500A) removed outlier: 6.726A pdb=" N TYR y 113 " --> pdb=" O VAL y 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL y 153 " --> pdb=" O TYR y 113 " (cutoff:3.500A) Processing sheet with id=AR1, first strand: chain 'z' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE z 238 " --> pdb=" O GLN z 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN z 43 " --> pdb=" O LEU z 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR z 234 " --> pdb=" O LEU z 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA z 87 " --> pdb=" O ARG z 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS z 85 " --> pdb=" O TYR z 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS z 239 " --> pdb=" O THR z 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR z 83 " --> pdb=" O LYS z 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE z 185 " --> pdb=" O PHE z 92 " (cutoff:3.500A) Processing sheet with id=AR2, first strand: chain 'z' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE z 228 " --> pdb=" O VAL z 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA z 87 " --> pdb=" O ARG z 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS z 85 " --> pdb=" O TYR z 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS z 239 " --> pdb=" O THR z 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR z 83 " --> pdb=" O LYS z 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL z 196 " --> pdb=" O THR z 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN z 199 " --> pdb=" O GLN z 212 " (cutoff:3.500A) Processing sheet with id=AR3, first strand: chain 'z' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL z 60 " --> pdb=" O ILE z 220 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N ILE z 220 " --> pdb=" O VAL z 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN z 103 " --> pdb=" O THR z 163 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N THR z 163 " --> pdb=" O ASN z 103 " (cutoff:3.500A) removed outlier: 3.934A pdb=" N MET z 161 " --> pdb=" O GLY z 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE z 159 " --> pdb=" O GLY z 107 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU z 111 " --> pdb=" O ARG z 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG z 155 " --> pdb=" O LEU z 111 " (cutoff:3.500A) removed outlier: 6.728A pdb=" N TYR z 113 " --> pdb=" O VAL z 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL z 153 " --> pdb=" O TYR z 113 " (cutoff:3.500A) Processing sheet with id=AR4, first strand: chain '1' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE 1 238 " --> pdb=" O GLN 1 41 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N GLN 1 43 " --> pdb=" O LEU 1 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR 1 234 " --> pdb=" O LEU 1 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA 1 87 " --> pdb=" O ARG 1 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS 1 85 " --> pdb=" O TYR 1 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS 1 239 " --> pdb=" O THR 1 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR 1 83 " --> pdb=" O LYS 1 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE 1 185 " --> pdb=" O PHE 1 92 " (cutoff:3.500A) Processing sheet with id=AR5, first strand: chain '1' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE 1 228 " --> pdb=" O VAL 1 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA 1 87 " --> pdb=" O ARG 1 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS 1 85 " --> pdb=" O TYR 1 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS 1 239 " --> pdb=" O THR 1 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR 1 83 " --> pdb=" O LYS 1 239 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N VAL 1 196 " --> pdb=" O THR 1 83 " (cutoff:3.500A) removed outlier: 6.897A pdb=" N GLN 1 199 " --> pdb=" O GLN 1 212 " (cutoff:3.500A) Processing sheet with id=AR6, first strand: chain '1' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL 1 60 " --> pdb=" O ILE 1 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE 1 220 " --> pdb=" O VAL 1 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN 1 103 " --> pdb=" O THR 1 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR 1 163 " --> pdb=" O ASN 1 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET 1 161 " --> pdb=" O GLY 1 105 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N PHE 1 159 " --> pdb=" O GLY 1 107 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU 1 111 " --> pdb=" O ARG 1 155 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N ARG 1 155 " --> pdb=" O LEU 1 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR 1 113 " --> pdb=" O VAL 1 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL 1 153 " --> pdb=" O TYR 1 113 " (cutoff:3.500A) Processing sheet with id=AR7, first strand: chain '2' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE 2 238 " --> pdb=" O GLN 2 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN 2 43 " --> pdb=" O LEU 2 236 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N THR 2 234 " --> pdb=" O LEU 2 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA 2 87 " --> pdb=" O ARG 2 235 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N LYS 2 85 " --> pdb=" O TYR 2 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS 2 239 " --> pdb=" O THR 2 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR 2 83 " --> pdb=" O LYS 2 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE 2 185 " --> pdb=" O PHE 2 92 " (cutoff:3.500A) Processing sheet with id=AR8, first strand: chain '2' and resid 54 through 55 removed outlier: 4.064A pdb=" N PHE 2 228 " --> pdb=" O VAL 2 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA 2 87 " --> pdb=" O ARG 2 235 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N LYS 2 85 " --> pdb=" O TYR 2 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS 2 239 " --> pdb=" O THR 2 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR 2 83 " --> pdb=" O LYS 2 239 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N VAL 2 196 " --> pdb=" O THR 2 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN 2 199 " --> pdb=" O GLN 2 212 " (cutoff:3.500A) Processing sheet with id=AR9, first strand: chain '2' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL 2 60 " --> pdb=" O ILE 2 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE 2 220 " --> pdb=" O VAL 2 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN 2 103 " --> pdb=" O THR 2 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR 2 163 " --> pdb=" O ASN 2 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET 2 161 " --> pdb=" O GLY 2 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE 2 159 " --> pdb=" O GLY 2 107 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU 2 111 " --> pdb=" O ARG 2 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG 2 155 " --> pdb=" O LEU 2 111 " (cutoff:3.500A) removed outlier: 6.726A pdb=" N TYR 2 113 " --> pdb=" O VAL 2 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL 2 153 " --> pdb=" O TYR 2 113 " (cutoff:3.500A) Processing sheet with id=AS1, first strand: chain '3' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE 3 238 " --> pdb=" O GLN 3 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN 3 43 " --> pdb=" O LEU 3 236 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N THR 3 234 " --> pdb=" O LEU 3 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA 3 87 " --> pdb=" O ARG 3 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS 3 85 " --> pdb=" O TYR 3 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS 3 239 " --> pdb=" O THR 3 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR 3 83 " --> pdb=" O LYS 3 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE 3 185 " --> pdb=" O PHE 3 92 " (cutoff:3.500A) Processing sheet with id=AS2, first strand: chain '3' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE 3 228 " --> pdb=" O VAL 3 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA 3 87 " --> pdb=" O ARG 3 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS 3 85 " --> pdb=" O TYR 3 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS 3 239 " --> pdb=" O THR 3 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR 3 83 " --> pdb=" O LYS 3 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL 3 196 " --> pdb=" O THR 3 83 " (cutoff:3.500A) removed outlier: 6.895A pdb=" N GLN 3 199 " --> pdb=" O GLN 3 212 " (cutoff:3.500A) Processing sheet with id=AS3, first strand: chain '3' and resid 60 through 63 removed outlier: 3.635A pdb=" N VAL 3 60 " --> pdb=" O ILE 3 220 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE 3 220 " --> pdb=" O VAL 3 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN 3 103 " --> pdb=" O THR 3 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR 3 163 " --> pdb=" O ASN 3 103 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N MET 3 161 " --> pdb=" O GLY 3 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE 3 159 " --> pdb=" O GLY 3 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU 3 111 " --> pdb=" O ARG 3 155 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N ARG 3 155 " --> pdb=" O LEU 3 111 " (cutoff:3.500A) removed outlier: 6.726A pdb=" N TYR 3 113 " --> pdb=" O VAL 3 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL 3 153 " --> pdb=" O TYR 3 113 " (cutoff:3.500A) Processing sheet with id=AS4, first strand: chain '4' and resid 41 through 47 removed outlier: 3.653A pdb=" N PHE 4 238 " --> pdb=" O GLN 4 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN 4 43 " --> pdb=" O LEU 4 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR 4 234 " --> pdb=" O LEU 4 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA 4 87 " --> pdb=" O ARG 4 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS 4 85 " --> pdb=" O TYR 4 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS 4 239 " --> pdb=" O THR 4 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR 4 83 " --> pdb=" O LYS 4 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE 4 185 " --> pdb=" O PHE 4 92 " (cutoff:3.500A) Processing sheet with id=AS5, first strand: chain '4' and resid 54 through 55 removed outlier: 4.064A pdb=" N PHE 4 228 " --> pdb=" O VAL 4 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA 4 87 " --> pdb=" O ARG 4 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS 4 85 " --> pdb=" O TYR 4 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS 4 239 " --> pdb=" O THR 4 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR 4 83 " --> pdb=" O LYS 4 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL 4 196 " --> pdb=" O THR 4 83 " (cutoff:3.500A) removed outlier: 6.895A pdb=" N GLN 4 199 " --> pdb=" O GLN 4 212 " (cutoff:3.500A) Processing sheet with id=AS6, first strand: chain '4' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL 4 60 " --> pdb=" O ILE 4 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE 4 220 " --> pdb=" O VAL 4 60 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASN 4 103 " --> pdb=" O THR 4 163 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N THR 4 163 " --> pdb=" O ASN 4 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET 4 161 " --> pdb=" O GLY 4 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE 4 159 " --> pdb=" O GLY 4 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU 4 111 " --> pdb=" O ARG 4 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG 4 155 " --> pdb=" O LEU 4 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR 4 113 " --> pdb=" O VAL 4 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL 4 153 " --> pdb=" O TYR 4 113 " (cutoff:3.500A) Processing sheet with id=AS7, first strand: chain '5' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE 5 238 " --> pdb=" O GLN 5 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN 5 43 " --> pdb=" O LEU 5 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR 5 234 " --> pdb=" O LEU 5 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA 5 87 " --> pdb=" O ARG 5 235 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N LYS 5 85 " --> pdb=" O TYR 5 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS 5 239 " --> pdb=" O THR 5 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR 5 83 " --> pdb=" O LYS 5 239 " (cutoff:3.500A) removed outlier: 3.880A pdb=" N ILE 5 185 " --> pdb=" O PHE 5 92 " (cutoff:3.500A) Processing sheet with id=AS8, first strand: chain '5' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE 5 228 " --> pdb=" O VAL 5 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA 5 87 " --> pdb=" O ARG 5 235 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N LYS 5 85 " --> pdb=" O TYR 5 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS 5 239 " --> pdb=" O THR 5 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR 5 83 " --> pdb=" O LYS 5 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL 5 196 " --> pdb=" O THR 5 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN 5 199 " --> pdb=" O GLN 5 212 " (cutoff:3.500A) Processing sheet with id=AS9, first strand: chain '5' and resid 60 through 63 removed outlier: 3.637A pdb=" N VAL 5 60 " --> pdb=" O ILE 5 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE 5 220 " --> pdb=" O VAL 5 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN 5 103 " --> pdb=" O THR 5 163 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N THR 5 163 " --> pdb=" O ASN 5 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET 5 161 " --> pdb=" O GLY 5 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE 5 159 " --> pdb=" O GLY 5 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU 5 111 " --> pdb=" O ARG 5 155 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N ARG 5 155 " --> pdb=" O LEU 5 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR 5 113 " --> pdb=" O VAL 5 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL 5 153 " --> pdb=" O TYR 5 113 " (cutoff:3.500A) Processing sheet with id=AT1, first strand: chain '6' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE 6 238 " --> pdb=" O GLN 6 41 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLN 6 43 " --> pdb=" O LEU 6 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR 6 234 " --> pdb=" O LEU 6 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA 6 87 " --> pdb=" O ARG 6 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS 6 85 " --> pdb=" O TYR 6 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS 6 239 " --> pdb=" O THR 6 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR 6 83 " --> pdb=" O LYS 6 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE 6 185 " --> pdb=" O PHE 6 92 " (cutoff:3.500A) Processing sheet with id=AT2, first strand: chain '6' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE 6 228 " --> pdb=" O VAL 6 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA 6 87 " --> pdb=" O ARG 6 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS 6 85 " --> pdb=" O TYR 6 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS 6 239 " --> pdb=" O THR 6 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR 6 83 " --> pdb=" O LYS 6 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL 6 196 " --> pdb=" O THR 6 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN 6 199 " --> pdb=" O GLN 6 212 " (cutoff:3.500A) Processing sheet with id=AT3, first strand: chain '6' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL 6 60 " --> pdb=" O ILE 6 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE 6 220 " --> pdb=" O VAL 6 60 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASN 6 103 " --> pdb=" O THR 6 163 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N THR 6 163 " --> pdb=" O ASN 6 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET 6 161 " --> pdb=" O GLY 6 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE 6 159 " --> pdb=" O GLY 6 107 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LEU 6 111 " --> pdb=" O ARG 6 155 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ARG 6 155 " --> pdb=" O LEU 6 111 " (cutoff:3.500A) removed outlier: 6.726A pdb=" N TYR 6 113 " --> pdb=" O VAL 6 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL 6 153 " --> pdb=" O TYR 6 113 " (cutoff:3.500A) Processing sheet with id=AT4, first strand: chain '7' and resid 41 through 47 removed outlier: 3.652A pdb=" N PHE 7 238 " --> pdb=" O GLN 7 41 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N GLN 7 43 " --> pdb=" O LEU 7 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR 7 234 " --> pdb=" O LEU 7 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA 7 87 " --> pdb=" O ARG 7 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS 7 85 " --> pdb=" O TYR 7 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS 7 239 " --> pdb=" O THR 7 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR 7 83 " --> pdb=" O LYS 7 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE 7 185 " --> pdb=" O PHE 7 92 " (cutoff:3.500A) Processing sheet with id=AT5, first strand: chain '7' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE 7 228 " --> pdb=" O VAL 7 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA 7 87 " --> pdb=" O ARG 7 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS 7 85 " --> pdb=" O TYR 7 237 " (cutoff:3.500A) removed outlier: 7.061A pdb=" N LYS 7 239 " --> pdb=" O THR 7 83 " (cutoff:3.500A) removed outlier: 5.668A pdb=" N THR 7 83 " --> pdb=" O LYS 7 239 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N VAL 7 196 " --> pdb=" O THR 7 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN 7 199 " --> pdb=" O GLN 7 212 " (cutoff:3.500A) Processing sheet with id=AT6, first strand: chain '7' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL 7 60 " --> pdb=" O ILE 7 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE 7 220 " --> pdb=" O VAL 7 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN 7 103 " --> pdb=" O THR 7 163 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR 7 163 " --> pdb=" O ASN 7 103 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N MET 7 161 " --> pdb=" O GLY 7 105 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N PHE 7 159 " --> pdb=" O GLY 7 107 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU 7 111 " --> pdb=" O ARG 7 155 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N ARG 7 155 " --> pdb=" O LEU 7 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR 7 113 " --> pdb=" O VAL 7 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL 7 153 " --> pdb=" O TYR 7 113 " (cutoff:3.500A) Processing sheet with id=AT7, first strand: chain '8' and resid 41 through 47 removed outlier: 3.653A pdb=" N PHE 8 238 " --> pdb=" O GLN 8 41 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N GLN 8 43 " --> pdb=" O LEU 8 236 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N THR 8 234 " --> pdb=" O LEU 8 45 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA 8 87 " --> pdb=" O ARG 8 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS 8 85 " --> pdb=" O TYR 8 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS 8 239 " --> pdb=" O THR 8 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR 8 83 " --> pdb=" O LYS 8 239 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ILE 8 185 " --> pdb=" O PHE 8 92 " (cutoff:3.500A) Processing sheet with id=AT8, first strand: chain '8' and resid 54 through 55 removed outlier: 4.065A pdb=" N PHE 8 228 " --> pdb=" O VAL 8 55 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ALA 8 87 " --> pdb=" O ARG 8 235 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS 8 85 " --> pdb=" O TYR 8 237 " (cutoff:3.500A) removed outlier: 7.060A pdb=" N LYS 8 239 " --> pdb=" O THR 8 83 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N THR 8 83 " --> pdb=" O LYS 8 239 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N VAL 8 196 " --> pdb=" O THR 8 83 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N GLN 8 199 " --> pdb=" O GLN 8 212 " (cutoff:3.500A) Processing sheet with id=AT9, first strand: chain '8' and resid 60 through 63 removed outlier: 3.636A pdb=" N VAL 8 60 " --> pdb=" O ILE 8 220 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE 8 220 " --> pdb=" O VAL 8 60 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN 8 103 " --> pdb=" O THR 8 163 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N THR 8 163 " --> pdb=" O ASN 8 103 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N MET 8 161 " --> pdb=" O GLY 8 105 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N PHE 8 159 " --> pdb=" O GLY 8 107 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU 8 111 " --> pdb=" O ARG 8 155 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N ARG 8 155 " --> pdb=" O LEU 8 111 " (cutoff:3.500A) removed outlier: 6.727A pdb=" N TYR 8 113 " --> pdb=" O VAL 8 153 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N VAL 8 153 " --> pdb=" O TYR 8 113 " (cutoff:3.500A) 3060 hydrogen bonds defined for protein. 8280 hydrogen bond angles defined for protein. Restraints generated for nucleic acids: 0 hydrogen bonds 0 hydrogen bond angles 0 basepair planarities 0 basepair parallelities 60 stacking parallelities Total time for adding SS restraints: 54.32 Time building geometry restraints manager: 31.53 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.21 - 1.33: 29640 1.33 - 1.45: 24635 1.45 - 1.57: 58105 1.57 - 1.69: 1020 1.69 - 1.81: 720 Bond restraints: 114120 Sorted by residual: bond pdb=" CB TRP H 110 " pdb=" CG TRP H 110 " ideal model delta sigma weight residual 1.498 1.441 0.057 3.10e-02 1.04e+03 3.34e+00 bond pdb=" CB TRP B 110 " pdb=" CG TRP B 110 " ideal model delta sigma weight residual 1.498 1.441 0.057 3.10e-02 1.04e+03 3.34e+00 bond pdb=" CB TRP J 110 " pdb=" CG TRP J 110 " ideal model delta sigma weight residual 1.498 1.442 0.056 3.10e-02 1.04e+03 3.30e+00 bond pdb=" CB TRP y 110 " pdb=" CG TRP y 110 " ideal model delta sigma weight residual 1.498 1.442 0.056 3.10e-02 1.04e+03 3.30e+00 bond pdb=" CB TRP e 110 " pdb=" CG TRP e 110 " ideal model delta sigma weight residual 1.498 1.442 0.056 3.10e-02 1.04e+03 3.30e+00 ... (remaining 114115 not shown) Histogram of bond angle deviations from ideal: 99.55 - 106.45: 6173 106.45 - 113.35: 63430 113.35 - 120.24: 39133 120.24 - 127.14: 45774 127.14 - 134.03: 2810 Bond angle restraints: 157320 Sorted by residual: angle pdb=" N GLY k 74 " pdb=" CA GLY k 74 " pdb=" C GLY k 74 " ideal model delta sigma weight residual 114.69 110.87 3.82 1.19e+00 7.06e-01 1.03e+01 angle pdb=" N GLY l 74 " pdb=" CA GLY l 74 " pdb=" C GLY l 74 " ideal model delta sigma weight residual 114.69 110.87 3.82 1.19e+00 7.06e-01 1.03e+01 angle pdb=" N GLY y 74 " pdb=" CA GLY y 74 " pdb=" C GLY y 74 " ideal model delta sigma weight residual 114.69 110.88 3.81 1.19e+00 7.06e-01 1.03e+01 angle pdb=" N GLY Y 74 " pdb=" CA GLY Y 74 " pdb=" C GLY Y 74 " ideal model delta sigma weight residual 114.69 110.88 3.81 1.19e+00 7.06e-01 1.02e+01 angle pdb=" N GLY B 74 " pdb=" CA GLY B 74 " pdb=" C GLY B 74 " ideal model delta sigma weight residual 114.69 110.88 3.81 1.19e+00 7.06e-01 1.02e+01 ... (remaining 157315 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 17.60: 60276 17.60 - 35.21: 3324 35.21 - 52.81: 1080 52.81 - 70.42: 360 70.42 - 88.02: 420 Dihedral angle restraints: 65460 sinusoidal: 29280 harmonic: 36180 Sorted by residual: dihedral pdb=" CA THR E 204 " pdb=" C THR E 204 " pdb=" N ASP E 205 " pdb=" CA ASP E 205 " ideal model delta harmonic sigma weight residual -180.00 -160.09 -19.91 0 5.00e+00 4.00e-02 1.59e+01 dihedral pdb=" CA THR k 204 " pdb=" C THR k 204 " pdb=" N ASP k 205 " pdb=" CA ASP k 205 " ideal model delta harmonic sigma weight residual -180.00 -160.10 -19.90 0 5.00e+00 4.00e-02 1.58e+01 dihedral pdb=" CA THR D 204 " pdb=" C THR D 204 " pdb=" N ASP D 205 " pdb=" CA ASP D 205 " ideal model delta harmonic sigma weight residual 180.00 -160.10 -19.90 0 5.00e+00 4.00e-02 1.58e+01 ... (remaining 65457 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.027: 8591 0.027 - 0.054: 4702 0.054 - 0.081: 2219 0.081 - 0.108: 1253 0.108 - 0.135: 395 Chirality restraints: 17160 Sorted by residual: chirality pdb=" CA VAL p 241 " pdb=" N VAL p 241 " pdb=" C VAL p 241 " pdb=" CB VAL p 241 " both_signs ideal model delta sigma weight residual False 2.44 2.58 -0.14 2.00e-01 2.50e+01 4.58e-01 chirality pdb=" CA VAL X 241 " pdb=" N VAL X 241 " pdb=" C VAL X 241 " pdb=" CB VAL X 241 " both_signs ideal model delta sigma weight residual False 2.44 2.58 -0.14 2.00e-01 2.50e+01 4.56e-01 chirality pdb=" CA VAL r 241 " pdb=" N VAL r 241 " pdb=" C VAL r 241 " pdb=" CB VAL r 241 " both_signs ideal model delta sigma weight residual False 2.44 2.58 -0.13 2.00e-01 2.50e+01 4.54e-01 ... (remaining 17157 not shown) Planarity restraints: 18360 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C LYS 5 179 " -0.041 5.00e-02 4.00e+02 6.12e-02 5.99e+00 pdb=" N PRO 5 180 " 0.106 5.00e-02 4.00e+02 pdb=" CA PRO 5 180 " -0.032 5.00e-02 4.00e+02 pdb=" CD PRO 5 180 " -0.034 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C LYS M 179 " -0.040 5.00e-02 4.00e+02 6.12e-02 5.99e+00 pdb=" N PRO M 180 " 0.106 5.00e-02 4.00e+02 pdb=" CA PRO M 180 " -0.032 5.00e-02 4.00e+02 pdb=" CD PRO M 180 " -0.034 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C LYS H 179 " -0.040 5.00e-02 4.00e+02 6.11e-02 5.97e+00 pdb=" N PRO H 180 " 0.106 5.00e-02 4.00e+02 pdb=" CA PRO H 180 " -0.032 5.00e-02 4.00e+02 pdb=" CD PRO H 180 " -0.034 5.00e-02 4.00e+02 ... (remaining 18357 not shown) Histogram of nonbonded interaction distances: 2.15 - 2.70: 5455 2.70 - 3.25: 107299 3.25 - 3.80: 161212 3.80 - 4.35: 188141 4.35 - 4.90: 315955 Nonbonded interactions: 778062 Sorted by model distance: nonbonded pdb=" OG1 THR q 81 " pdb=" OG1 THR q 198 " model vdw 2.146 2.440 nonbonded pdb=" OG1 THR 5 81 " pdb=" OG1 THR 5 198 " model vdw 2.146 2.440 nonbonded pdb=" OG1 THR X 81 " pdb=" OG1 THR X 198 " model vdw 2.146 2.440 nonbonded pdb=" OG1 THR R 81 " pdb=" OG1 THR R 198 " model vdw 2.146 2.440 nonbonded pdb=" OG1 THR U 81 " pdb=" OG1 THR U 198 " model vdw 2.146 2.440 ... (remaining 778057 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model Found NCS groups: ncs_group { reference = chain '1' selection = chain '2' selection = chain '3' selection = chain '4' selection = chain '5' selection = chain '6' selection = chain '7' selection = chain '8' selection = chain 'A' selection = chain 'B' selection = chain 'C' selection = chain 'D' selection = chain 'E' selection = chain 'F' selection = chain 'G' selection = chain 'H' selection = chain 'I' selection = chain 'J' selection = chain 'K' selection = chain 'L' selection = chain 'M' selection = chain 'N' selection = chain 'O' selection = chain 'P' selection = chain 'Q' selection = chain 'R' selection = chain 'S' selection = chain 'T' selection = chain 'U' selection = chain 'V' selection = chain 'W' selection = chain 'X' selection = chain 'Y' selection = chain 'Z' selection = chain 'a' selection = chain 'b' selection = chain 'c' selection = chain 'd' selection = chain 'e' selection = chain 'f' selection = chain 'g' selection = chain 'h' selection = chain 'i' selection = chain 'j' selection = chain 'k' selection = chain 'l' selection = chain 'm' selection = chain 'n' selection = chain 'o' selection = chain 'p' selection = chain 'q' selection = chain 'r' selection = chain 's' selection = chain 't' selection = chain 'u' selection = chain 'v' selection = chain 'w' selection = chain 'x' selection = chain 'y' selection = chain 'z' } ncs_group { reference = chain 'A1' selection = chain 'A2' selection = chain 'A3' selection = chain 'A4' selection = chain 'A5' selection = chain 'A6' selection = chain 'A7' selection = chain 'A8' selection = chain 'AA' selection = chain 'AB' selection = chain 'AC' selection = chain 'AD' selection = chain 'AE' selection = chain 'AF' selection = chain 'AG' selection = chain 'AH' selection = chain 'AI' selection = chain 'AJ' selection = chain 'AK' selection = chain 'AL' selection = chain 'AM' selection = chain 'AN' selection = chain 'AO' selection = chain 'AP' selection = chain 'AQ' selection = chain 'AR' selection = chain 'AS' selection = chain 'AT' selection = chain 'AU' selection = chain 'AV' selection = chain 'AW' selection = chain 'AX' selection = chain 'AY' selection = chain 'AZ' selection = chain 'Aa' selection = chain 'Ab' selection = chain 'Ac' selection = chain 'Ad' selection = chain 'Ae' selection = chain 'Af' selection = chain 'Ag' selection = chain 'Ah' selection = chain 'Ai' selection = chain 'Aj' selection = chain 'Ak' selection = chain 'Al' selection = chain 'Am' selection = chain 'An' selection = chain 'Ao' selection = chain 'Ap' selection = chain 'Aq' selection = chain 'Ar' selection = chain 'As' selection = chain 'At' selection = chain 'Au' selection = chain 'Av' selection = chain 'Aw' selection = chain 'Ax' selection = chain 'Ay' selection = chain 'Az' } 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 group one per residue 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: 2.020 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: 0.080 Extract box with map and model: 14.770 Check model and map are aligned: 1.160 Set scattering table: 0.710 Process input model: 228.960 Find NCS groups from input model: 5.590 Set up NCS constraints: 3.290 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.020 Load rotamer database and sin/cos tables:2.660 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 259.270 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8306 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 : 0.008 0.057 114120 Z= 0.516 Angle : 0.775 9.082 157320 Z= 0.432 Chirality : 0.046 0.135 17160 Planarity : 0.006 0.061 18360 Dihedral : 15.205 88.022 42540 Min Nonbonded Distance : 2.146 Molprobity Statistics. All-atom Clashscore : 13.85 Ramachandran Plot: Outliers : 0.47 % Allowed : 2.37 % Favored : 97.16 % Rotamer: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % 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: -2.44 (0.06), residues: 12660 helix: -3.68 (0.13), residues: 720 sheet: -1.33 (0.06), residues: 4380 loop : -1.58 (0.06), residues: 7560 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.037 0.005 TRP L 110 HIS 0.012 0.003 HIS Q 91 PHE 0.016 0.003 PHE U 159 TYR 0.017 0.003 TYR j 90 ARG 0.012 0.002 ARG C 183 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25320 Ramachandran restraints generated. 12660 Oldfield, 0 Emsley, 12660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25320 Ramachandran restraints generated. 12660 Oldfield, 0 Emsley, 12660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3796 residues out of total 10380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 3796 time to evaluate : 8.328 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 3796 average time/residue: 0.9271 time to fit residues: 6071.2412 Evaluate side-chains 2794 residues out of total 10380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 2794 time to evaluate : 7.888 Switching outliers to nearest non-outliers outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 10.6937 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1260 random chunks: chunk 1063 optimal weight: 0.9980 chunk 955 optimal weight: 10.0000 chunk 529 optimal weight: 9.9990 chunk 326 optimal weight: 5.9990 chunk 644 optimal weight: 10.0000 chunk 510 optimal weight: 7.9990 chunk 987 optimal weight: 5.9990 chunk 382 optimal weight: 20.0000 chunk 600 optimal weight: 5.9990 chunk 735 optimal weight: 30.0000 chunk 1144 optimal weight: 0.9980 overall best weight: 3.9986 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 41 GLN A 47 HIS ** A 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 47 HIS C 47 HIS ** C 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 47 HIS ** D 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 41 GLN E 47 HIS ** E 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 47 HIS ** F 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 41 GLN G 47 HIS ** G 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 47 HIS ** H 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 47 HIS ** I 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 47 HIS K 41 GLN K 47 HIS ** K 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 47 HIS M 41 GLN M 47 HIS M 212 GLN N 47 HIS ** N 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 47 HIS ** O 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 47 HIS ** P 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 41 GLN Q 47 HIS ** Q 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 47 HIS S 47 HIS T 41 GLN T 47 HIS ** T 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 47 HIS V 47 HIS ** V 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 47 HIS ** W 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 41 GLN X 47 HIS X 212 GLN Y 41 GLN Y 47 HIS ** Y 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 41 GLN Z 47 HIS ** Z 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 41 GLN a 47 HIS ** a 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 41 GLN b 47 HIS c 41 GLN c 47 HIS ** c 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 41 GLN d 47 HIS ** d 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 41 GLN e 47 HIS ** e 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 41 GLN f 47 HIS g 47 HIS ** g 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 41 GLN h 47 HIS h 212 GLN i 41 GLN i 47 HIS ** i 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 41 GLN j 47 HIS ** j 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 47 HIS ** k 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 41 GLN l 47 HIS ** l 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 41 GLN m 47 HIS ** m 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 41 GLN n 47 HIS ** n 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 47 HIS o 212 GLN p 47 HIS ** p 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 47 HIS r 47 HIS s 47 HIS t 41 GLN t 47 HIS ** t 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 47 HIS ** u 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 41 GLN v 47 HIS ** v 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 41 GLN w 47 HIS ** w 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 41 GLN x 47 HIS ** x 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 41 GLN y 47 HIS ** y 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 47 HIS 1 47 HIS 2 47 HIS 3 41 GLN 3 47 HIS ** 3 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 41 GLN 4 47 HIS ** 4 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 41 GLN 5 47 HIS ** 5 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 47 HIS ** 6 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 47 HIS ** 7 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 41 GLN 8 47 HIS ** 8 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 95 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8232 moved from start: 0.2530 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.030 114120 Z= 0.275 Angle : 0.674 6.030 157320 Z= 0.365 Chirality : 0.045 0.176 17160 Planarity : 0.004 0.034 18360 Dihedral : 18.780 88.034 20520 Min Nonbonded Distance : 2.103 Molprobity Statistics. All-atom Clashscore : 11.40 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.42 % Favored : 98.58 % Rotamer: Outliers : 4.29 % Allowed : 13.31 % Favored : 82.40 % 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: -2.61 (0.06), residues: 12660 helix: -3.84 (0.08), residues: 1080 sheet: -1.16 (0.06), residues: 5220 loop : -1.78 (0.06), residues: 6360 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.027 0.003 TRP r 110 HIS 0.005 0.002 HIS e 231 PHE 0.012 0.002 PHE T 92 TYR 0.024 0.002 TYR Y 186 ARG 0.004 0.001 ARG f 183 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25320 Ramachandran restraints generated. 12660 Oldfield, 0 Emsley, 12660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25320 Ramachandran restraints generated. 12660 Oldfield, 0 Emsley, 12660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3754 residues out of total 10380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 445 poor density : 3309 time to evaluate : 8.460 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: 445 outliers final: 338 residues processed: 3364 average time/residue: 0.9492 time to fit residues: 5661.9816 Evaluate side-chains 3330 residues out of total 10380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 338 poor density : 2992 time to evaluate : 7.650 Switching outliers to nearest non-outliers outliers start: 338 outliers final: 0 residues processed: 338 average time/residue: 0.8501 time to fit residues: 550.6410 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1260 random chunks: chunk 635 optimal weight: 10.0000 chunk 355 optimal weight: 20.0000 chunk 952 optimal weight: 8.9990 chunk 779 optimal weight: 10.0000 chunk 315 optimal weight: 30.0000 chunk 1146 optimal weight: 8.9990 chunk 1238 optimal weight: 8.9990 chunk 1020 optimal weight: 1.9990 chunk 1136 optimal weight: 4.9990 chunk 390 optimal weight: 5.9990 chunk 919 optimal weight: 10.0000 overall best weight: 6.1990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 41 GLN ** E 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 41 GLN ** F 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 41 GLN ** G 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 41 GLN ** N 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 41 GLN ** V 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 41 GLN Z 41 GLN ** Z 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 41 GLN e 77 HIS ** e 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 41 GLN ** j 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 41 GLN ** l 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 41 GLN ** p 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 41 GLN ** t 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 41 GLN ** w 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 41 GLN ** 8 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 15 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8281 moved from start: 0.3029 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.006 0.041 114120 Z= 0.375 Angle : 0.670 6.019 157320 Z= 0.366 Chirality : 0.043 0.150 17160 Planarity : 0.004 0.034 18360 Dihedral : 18.781 87.727 20520 Min Nonbonded Distance : 2.051 Molprobity Statistics. All-atom Clashscore : 12.76 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.66 % Favored : 97.34 % Rotamer: Outliers : 4.20 % Allowed : 16.97 % Favored : 78.82 % 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: -2.48 (0.06), residues: 12660 helix: -3.29 (0.10), residues: 1080 sheet: -1.13 (0.06), residues: 5520 loop : -1.72 (0.06), residues: 6060 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.024 0.003 TRP c 110 HIS 0.009 0.003 HIS r 91 PHE 0.018 0.002 PHE e 187 TYR 0.021 0.002 TYR I 113 ARG 0.005 0.001 ARG 4 183 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25320 Ramachandran restraints generated. 12660 Oldfield, 0 Emsley, 12660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25320 Ramachandran restraints generated. 12660 Oldfield, 0 Emsley, 12660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3425 residues out of total 10380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 436 poor density : 2989 time to evaluate : 8.361 Fit side-chains outliers start: 436 outliers final: 312 residues processed: 3213 average time/residue: 0.8779 time to fit residues: 4999.0745 Evaluate side-chains 3177 residues out of total 10380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 312 poor density : 2865 time to evaluate : 9.806 Switching outliers to nearest non-outliers outliers start: 312 outliers final: 0 residues processed: 312 average time/residue: 0.7408 time to fit residues: 457.7989 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1260 random chunks: chunk 1132 optimal weight: 3.9990 chunk 861 optimal weight: 0.5980 chunk 594 optimal weight: 3.9990 chunk 126 optimal weight: 30.0000 chunk 547 optimal weight: 7.9990 chunk 769 optimal weight: 10.0000 chunk 1150 optimal weight: 7.9990 chunk 1217 optimal weight: 0.9990 chunk 601 optimal weight: 5.9990 chunk 1090 optimal weight: 7.9990 chunk 328 optimal weight: 0.0050 overall best weight: 1.9200 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 231 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 75 ASN ** D 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 77 HIS D 233 GLN E 77 HIS E 212 GLN ** F 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 231 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 77 HIS G 212 GLN ** H 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 77 HIS H 233 GLN I 75 ASN K 41 GLN K 75 ASN M 77 HIS ** N 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 233 GLN O 212 GLN Q 75 ASN T 75 ASN V 75 ASN ** W 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 77 HIS W 233 GLN X 77 HIS ** Y 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 77 HIS Z 212 GLN ** a 231 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 231 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 231 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** d 212 GLN ** d 231 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** e 41 GLN ** e 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 231 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 231 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** g 75 ASN h 77 HIS ** i 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 233 GLN ** j 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 233 GLN ** k 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 77 HIS k 233 GLN l 77 HIS l 212 GLN m 41 GLN m 75 ASN ** n 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 231 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** p 75 ASN t 77 HIS t 212 GLN u 75 ASN ** v 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 231 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** w 77 HIS w 212 GLN x 75 ASN ** y 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 231 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 231 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 4 41 GLN 4 75 ASN ** 6 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 77 HIS ** 7 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 77 HIS 8 77 HIS 8 212 GLN Total number of N/Q/H flips: 48 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8194 moved from start: 0.3564 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.022 114120 Z= 0.178 Angle : 0.584 7.207 157320 Z= 0.312 Chirality : 0.041 0.152 17160 Planarity : 0.003 0.037 18360 Dihedral : 18.313 87.652 20520 Min Nonbonded Distance : 2.090 Molprobity Statistics. All-atom Clashscore : 9.54 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.51 % Favored : 98.49 % Rotamer: Outliers : 1.50 % Allowed : 22.60 % Favored : 75.90 % 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: -2.03 (0.07), residues: 12660 helix: -2.69 (0.13), residues: 1080 sheet: -0.93 (0.06), residues: 5520 loop : -1.38 (0.07), residues: 6060 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.014 0.002 TRP V 110 HIS 0.005 0.001 HIS z 231 PHE 0.010 0.001 PHE l 190 TYR 0.016 0.001 TYR g 90 ARG 0.002 0.000 ARG q 183 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25320 Ramachandran restraints generated. 12660 Oldfield, 0 Emsley, 12660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25320 Ramachandran restraints generated. 12660 Oldfield, 0 Emsley, 12660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3336 residues out of total 10380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 156 poor density : 3180 time to evaluate : 9.744 Fit side-chains outliers start: 156 outliers final: 82 residues processed: 3210 average time/residue: 0.9452 time to fit residues: 5389.8669 Evaluate side-chains 3051 residues out of total 10380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 82 poor density : 2969 time to evaluate : 8.394 Switching outliers to nearest non-outliers outliers start: 82 outliers final: 0 residues processed: 82 average time/residue: 0.8952 time to fit residues: 144.6252 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1260 random chunks: chunk 1014 optimal weight: 9.9990 chunk 691 optimal weight: 20.0000 chunk 17 optimal weight: 5.9990 chunk 906 optimal weight: 5.9990 chunk 502 optimal weight: 20.0000 chunk 1039 optimal weight: 4.9990 chunk 841 optimal weight: 20.0000 chunk 1 optimal weight: 9.9990 chunk 621 optimal weight: 9.9990 chunk 1093 optimal weight: 20.0000 chunk 307 optimal weight: 10.0000 overall best weight: 7.3990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 202 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 41 GLN ** B 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** F 41 GLN ** F 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 202 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 91 HIS ** I 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 202 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 77 HIS ** N 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 91 HIS ** Q 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 202 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 202 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 202 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 202 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 202 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 202 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 202 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 91 HIS ** m 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 202 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 202 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 202 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 41 GLN 1 41 GLN ** 1 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 41 GLN ** 2 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 202 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 202 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 91 HIS ** 6 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 91 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 91 HIS Total number of N/Q/H flips: 11 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8302 moved from start: 0.3583 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.007 0.047 114120 Z= 0.433 Angle : 0.696 8.113 157320 Z= 0.377 Chirality : 0.042 0.149 17160 Planarity : 0.004 0.031 18360 Dihedral : 18.635 88.855 20520 Min Nonbonded Distance : 2.052 Molprobity Statistics. All-atom Clashscore : 15.03 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.79 % Favored : 95.21 % Rotamer: Outliers : 6.58 % Allowed : 20.77 % Favored : 72.65 % 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: -2.31 (0.06), residues: 12660 helix: -2.80 (0.12), residues: 1080 sheet: -1.12 (0.07), residues: 4620 loop : -1.57 (0.06), residues: 6960 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.017 0.002 TRP V 110 HIS 0.010 0.003 HIS n 91 PHE 0.017 0.003 PHE x 187 TYR 0.016 0.002 TYR 4 90 ARG 0.005 0.001 ARG G 183 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25320 Ramachandran restraints generated. 12660 Oldfield, 0 Emsley, 12660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25320 Ramachandran restraints generated. 12660 Oldfield, 0 Emsley, 12660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3596 residues out of total 10380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 683 poor density : 2913 time to evaluate : 8.517 Fit side-chains outliers start: 683 outliers final: 404 residues processed: 3362 average time/residue: 0.8832 time to fit residues: 5291.4886 Evaluate side-chains 3252 residues out of total 10380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 404 poor density : 2848 time to evaluate : 8.449 Switching outliers to nearest non-outliers outliers start: 404 outliers final: 0 residues processed: 404 average time/residue: 0.7258 time to fit residues: 578.7508 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1260 random chunks: chunk 409 optimal weight: 0.9990 chunk 1096 optimal weight: 10.0000 chunk 240 optimal weight: 4.9990 chunk 715 optimal weight: 9.9990 chunk 300 optimal weight: 9.9990 chunk 1219 optimal weight: 10.0000 chunk 1012 optimal weight: 20.0000 chunk 564 optimal weight: 0.8980 chunk 101 optimal weight: 1.9990 chunk 403 optimal weight: 20.0000 chunk 640 optimal weight: 0.0570 overall best weight: 1.7904 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 202 ASN ** C 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 77 HIS ** E 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 41 GLN F 202 ASN ** G 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 75 ASN H 77 HIS ** I 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 41 GLN ** K 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 41 GLN ** M 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 75 ASN ** O 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 77 HIS ** Q 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 41 GLN S 41 GLN ** T 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 202 ASN U 41 GLN ** V 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 77 HIS ** X 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 77 HIS ** Z 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 202 ASN b 202 ASN c 202 ASN d 202 ASN d 212 GLN e 202 ASN f 202 ASN ** g 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 77 HIS k 77 HIS ** l 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 202 ASN ** o 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 41 GLN r 41 GLN s 41 GLN ** t 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 202 ASN w 75 ASN ** x 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 202 ASN 3 202 ASN 3 212 GLN ** 4 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 77 HIS ** 7 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 75 ASN 7 77 HIS ** 8 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 37 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8203 moved from start: 0.4021 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.031 114120 Z= 0.184 Angle : 0.612 8.194 157320 Z= 0.326 Chirality : 0.042 0.158 17160 Planarity : 0.003 0.036 18360 Dihedral : 18.192 87.823 20520 Min Nonbonded Distance : 2.097 Molprobity Statistics. All-atom Clashscore : 10.62 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.94 % Favored : 98.06 % Rotamer: Outliers : 1.78 % Allowed : 23.68 % Favored : 74.54 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.92 (0.07), residues: 12660 helix: -2.48 (0.13), residues: 1080 sheet: -0.85 (0.07), residues: 4620 loop : -1.32 (0.07), residues: 6960 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.014 0.001 TRP x 137 HIS 0.004 0.001 HIS r 231 PHE 0.023 0.001 PHE a 128 TYR 0.016 0.001 TYR g 113 ARG 0.003 0.000 ARG z 183 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25320 Ramachandran restraints generated. 12660 Oldfield, 0 Emsley, 12660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25320 Ramachandran restraints generated. 12660 Oldfield, 0 Emsley, 12660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3316 residues out of total 10380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 185 poor density : 3131 time to evaluate : 8.400 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 outliers start: 185 outliers final: 56 residues processed: 3205 average time/residue: 0.9098 time to fit residues: 5148.7378 Evaluate side-chains 2995 residues out of total 10380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 56 poor density : 2939 time to evaluate : 8.356 Switching outliers to nearest non-outliers outliers start: 56 outliers final: 0 residues processed: 56 average time/residue: 0.8091 time to fit residues: 96.9650 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1260 random chunks: chunk 1175 optimal weight: 7.9990 chunk 137 optimal weight: 4.9990 chunk 694 optimal weight: 20.0000 chunk 890 optimal weight: 9.9990 chunk 689 optimal weight: 0.0370 chunk 1026 optimal weight: 9.9990 chunk 680 optimal weight: 10.0000 chunk 1214 optimal weight: 8.9990 chunk 760 optimal weight: 6.9990 chunk 740 optimal weight: 9.9990 chunk 560 optimal weight: 0.9980 overall best weight: 4.2064 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 41 GLN A 91 HIS ** A 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 202 ASN ** C 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 91 HIS D 77 HIS D 91 HIS D 202 ASN ** E 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 41 GLN F 91 HIS ** F 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 77 HIS H 202 ASN ** I 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 91 HIS ** K 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 91 HIS L 202 ASN ** M 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 91 HIS N 202 ASN ** O 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 75 ASN P 202 ASN ** Q 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 91 HIS ** R 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 202 ASN ** T 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 91 HIS U 202 ASN ** V 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 91 HIS W 77 HIS W 91 HIS W 202 ASN ** X 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 91 HIS Y 202 ASN ** Z 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 41 GLN a 91 HIS ** a 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 41 GLN b 91 HIS ** b 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 41 GLN c 91 HIS ** c 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 41 GLN d 91 HIS e 91 HIS ** e 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 41 GLN f 91 HIS ** f 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 91 HIS ** h 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** i 77 HIS i 91 HIS i 202 ASN j 91 HIS j 202 ASN k 77 HIS k 202 ASN ** l 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 91 HIS n 41 GLN n 91 HIS ** n 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 91 HIS ** q 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 202 ASN ** t 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 91 HIS v 41 GLN v 91 HIS ** v 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 91 HIS y 41 GLN y 91 HIS ** y 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 202 ASN 3 41 GLN 3 91 HIS ** 4 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 91 HIS 5 202 ASN 6 77 HIS 6 91 HIS 6 202 ASN 7 77 HIS 7 202 ASN ** 8 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 68 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8247 moved from start: 0.4152 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.028 114120 Z= 0.277 Angle : 0.644 8.758 157320 Z= 0.344 Chirality : 0.042 0.168 17160 Planarity : 0.003 0.037 18360 Dihedral : 18.358 88.609 20520 Min Nonbonded Distance : 2.071 Molprobity Statistics. All-atom Clashscore : 12.78 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.02 % Favored : 95.98 % Rotamer: Outliers : 2.12 % Allowed : 26.26 % Favored : 71.62 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.91 (0.07), residues: 12660 helix: -2.36 (0.13), residues: 1080 sheet: -0.88 (0.07), residues: 4620 loop : -1.31 (0.07), residues: 6960 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.025 0.002 TRP z 110 HIS 0.006 0.002 HIS G 91 PHE 0.011 0.002 PHE i 187 TYR 0.015 0.001 TYR F 90 ARG 0.003 0.000 ARG K 183 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25320 Ramachandran restraints generated. 12660 Oldfield, 0 Emsley, 12660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25320 Ramachandran restraints generated. 12660 Oldfield, 0 Emsley, 12660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3192 residues out of total 10380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 220 poor density : 2972 time to evaluate : 10.693 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 220 outliers final: 156 residues processed: 3030 average time/residue: 0.8980 time to fit residues: 4820.9621 Evaluate side-chains 3000 residues out of total 10380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 156 poor density : 2844 time to evaluate : 8.218 Switching outliers to nearest non-outliers outliers start: 156 outliers final: 0 residues processed: 156 average time/residue: 0.7402 time to fit residues: 228.6812 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1260 random chunks: chunk 751 optimal weight: 20.0000 chunk 484 optimal weight: 3.9990 chunk 725 optimal weight: 9.9990 chunk 365 optimal weight: 0.0670 chunk 238 optimal weight: 10.0000 chunk 235 optimal weight: 20.0000 chunk 772 optimal weight: 20.0000 chunk 827 optimal weight: 4.9990 chunk 600 optimal weight: 9.9990 chunk 113 optimal weight: 0.9980 chunk 954 optimal weight: 7.9990 overall best weight: 3.6124 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** C 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 75 ASN ** G 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 202 ASN ** I 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 91 HIS ** M 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 202 ASN ** Q 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 202 ASN ** g 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 202 ASN ** m 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 91 HIS ** t 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** t 202 ASN ** u 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 202 ASN ** x 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 91 HIS ** 4 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 202 ASN Total number of N/Q/H flips: 11 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8232 moved from start: 0.4261 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.030 114120 Z= 0.252 Angle : 0.653 9.578 157320 Z= 0.346 Chirality : 0.041 0.173 17160 Planarity : 0.003 0.036 18360 Dihedral : 18.292 88.585 20520 Min Nonbonded Distance : 2.083 Molprobity Statistics. All-atom Clashscore : 12.46 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.05 % Favored : 96.95 % Rotamer: Outliers : 1.56 % Allowed : 26.96 % Favored : 71.48 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.85 (0.07), residues: 12660 helix: -2.32 (0.13), residues: 1080 sheet: -0.84 (0.07), residues: 4620 loop : -1.27 (0.07), residues: 6960 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.020 0.002 TRP z 110 HIS 0.006 0.002 HIS n 91 PHE 0.011 0.002 PHE u 187 TYR 0.016 0.001 TYR x 113 ARG 0.003 0.000 ARG 1 183 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25320 Ramachandran restraints generated. 12660 Oldfield, 0 Emsley, 12660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25320 Ramachandran restraints generated. 12660 Oldfield, 0 Emsley, 12660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3118 residues out of total 10380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 162 poor density : 2956 time to evaluate : 8.269 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: 162 outliers final: 99 residues processed: 3002 average time/residue: 0.9047 time to fit residues: 4853.0014 Evaluate side-chains 2965 residues out of total 10380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 99 poor density : 2866 time to evaluate : 8.384 Switching outliers to nearest non-outliers outliers start: 99 outliers final: 0 residues processed: 99 average time/residue: 0.7549 time to fit residues: 154.5822 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1260 random chunks: chunk 1104 optimal weight: 6.9990 chunk 1163 optimal weight: 10.0000 chunk 1061 optimal weight: 8.9990 chunk 1131 optimal weight: 4.9990 chunk 681 optimal weight: 8.9990 chunk 493 optimal weight: 0.4980 chunk 888 optimal weight: 10.0000 chunk 347 optimal weight: 3.9990 chunk 1022 optimal weight: 0.9980 chunk 1070 optimal weight: 9.9990 chunk 1127 optimal weight: 4.9990 overall best weight: 3.0986 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 41 GLN F 41 GLN ** F 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 41 GLN G 75 ASN G 202 ASN ** I 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 41 GLN ** O 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 202 ASN ** Q 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 41 GLN ** Z 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 202 ASN a 212 GLN ** c 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 212 GLN ** g 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 41 GLN ** l 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 202 ASN ** m 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 75 ASN t 202 ASN ** u 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 41 GLN w 202 ASN ** x 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 212 GLN 4 46 GLN 8 41 GLN ** 8 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 202 ASN Total number of N/Q/H flips: 21 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8217 moved from start: 0.4449 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.033 114120 Z= 0.235 Angle : 0.658 10.611 157320 Z= 0.348 Chirality : 0.041 0.176 17160 Planarity : 0.003 0.036 18360 Dihedral : 18.273 88.643 20520 Min Nonbonded Distance : 2.085 Molprobity Statistics. All-atom Clashscore : 12.48 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.82 % Favored : 96.18 % Rotamer: Outliers : 1.01 % Allowed : 28.03 % Favored : 70.96 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.76 (0.07), residues: 12660 helix: -2.35 (0.12), residues: 1080 sheet: -0.78 (0.07), residues: 4620 loop : -1.19 (0.07), residues: 6960 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.017 0.002 TRP z 110 HIS 0.005 0.002 HIS f 91 PHE 0.032 0.002 PHE J 128 TYR 0.015 0.001 TYR 4 113 ARG 0.002 0.000 ARG z 183 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25320 Ramachandran restraints generated. 12660 Oldfield, 0 Emsley, 12660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25320 Ramachandran restraints generated. 12660 Oldfield, 0 Emsley, 12660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3032 residues out of total 10380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 105 poor density : 2927 time to evaluate : 8.466 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: 105 outliers final: 76 residues processed: 2969 average time/residue: 0.8985 time to fit residues: 4795.0329 Evaluate side-chains 2915 residues out of total 10380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 76 poor density : 2839 time to evaluate : 11.057 Switching outliers to nearest non-outliers outliers start: 76 outliers final: 0 residues processed: 76 average time/residue: 0.7533 time to fit residues: 122.2617 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1260 random chunks: chunk 743 optimal weight: 10.0000 chunk 1196 optimal weight: 8.9990 chunk 730 optimal weight: 7.9990 chunk 567 optimal weight: 30.0000 chunk 831 optimal weight: 9.9990 chunk 1255 optimal weight: 5.9990 chunk 1155 optimal weight: 0.0000 chunk 999 optimal weight: 3.9990 chunk 103 optimal weight: 0.5980 chunk 772 optimal weight: 5.9990 chunk 612 optimal weight: 1.9990 overall best weight: 2.5190 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 75 ASN ** F 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 46 GLN K 41 GLN K 46 GLN M 75 ASN ** N 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 75 ASN ** b 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 75 ASN l 75 ASN m 41 GLN ** m 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 46 GLN ** v 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 41 GLN ** 6 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 75 ASN Total number of N/Q/H flips: 12 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8196 moved from start: 0.4566 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.037 114120 Z= 0.219 Angle : 0.661 10.759 157320 Z= 0.349 Chirality : 0.041 0.174 17160 Planarity : 0.003 0.036 18360 Dihedral : 18.223 88.693 20520 Min Nonbonded Distance : 2.077 Molprobity Statistics. All-atom Clashscore : 11.88 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.99 % Favored : 97.01 % Rotamer: Outliers : 0.39 % Allowed : 29.29 % Favored : 70.32 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.64 (0.07), residues: 12660 helix: -2.26 (0.12), residues: 1080 sheet: -0.69 (0.07), residues: 4620 loop : -1.11 (0.07), residues: 6960 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.016 0.001 TRP K 110 HIS 0.005 0.001 HIS f 91 PHE 0.034 0.002 PHE 2 128 TYR 0.012 0.001 TYR z 113 ARG 0.006 0.000 ARG p 213 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25320 Ramachandran restraints generated. 12660 Oldfield, 0 Emsley, 12660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25320 Ramachandran restraints generated. 12660 Oldfield, 0 Emsley, 12660 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2952 residues out of total 10380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 41 poor density : 2911 time to evaluate : 8.528 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: 41 outliers final: 14 residues processed: 2933 average time/residue: 0.9248 time to fit residues: 4824.4170 Evaluate side-chains 2837 residues out of total 10380 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 14 poor density : 2823 time to evaluate : 8.456 Switching outliers to nearest non-outliers outliers start: 14 outliers final: 0 residues processed: 14 average time/residue: 0.7532 time to fit residues: 31.3800 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1260 random chunks: chunk 793 optimal weight: 20.0000 chunk 1064 optimal weight: 6.9990 chunk 306 optimal weight: 7.9990 chunk 921 optimal weight: 6.9990 chunk 147 optimal weight: 0.8980 chunk 277 optimal weight: 8.9990 chunk 1001 optimal weight: 8.9990 chunk 418 optimal weight: 9.9990 chunk 1028 optimal weight: 10.0000 chunk 126 optimal weight: 30.0000 chunk 184 optimal weight: 10.0000 overall best weight: 6.3788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 91 HIS C 41 GLN ** C 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 65 ASN E 91 HIS F 41 GLN ** F 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 91 HIS I 41 GLN ** J 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 91 HIS K 65 ASN ** L 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 91 HIS ** O 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 91 HIS Q 41 GLN ** Q 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 91 HIS ** S 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 91 HIS T 41 GLN ** T 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 65 ASN ** U 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 91 HIS ** V 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 91 HIS ** Y 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 91 HIS ** a 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 212 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 65 ASN h 91 HIS l 91 HIS ** m 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 91 HIS ** p 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 91 HIS ** r 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 91 HIS ** s 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** t 91 HIS w 91 HIS x 41 GLN ** x 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 65 ASN z 91 HIS ** 1 46 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 91 HIS ** 3 75 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 65 ASN 8 91 HIS Total number of N/Q/H flips: 33 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3485 r_free = 0.3485 target = 0.099136 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 42)----------------| | r_work = 0.2975 r_free = 0.2975 target = 0.069846 restraints weight = 280065.981| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 33)----------------| | r_work = 0.3030 r_free = 0.3030 target = 0.072874 restraints weight = 140081.935| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 27)----------------| | r_work = 0.3065 r_free = 0.3065 target = 0.074870 restraints weight = 95703.156| |-----------------------------------------------------------------------------| r_work (final): 0.3051 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7883 moved from start: 0.4458 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.006 0.043 114120 Z= 0.388 Angle : 0.724 10.962 157320 Z= 0.387 Chirality : 0.043 0.192 17160 Planarity : 0.004 0.034 18360 Dihedral : 18.442 89.584 20520 Min Nonbonded Distance : 2.047 Molprobity Statistics. All-atom Clashscore : 15.50 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.76 % Favored : 95.24 % Rotamer: Outliers : 0.98 % Allowed : 29.33 % Favored : 69.69 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.53 (0.07), residues: 12660 helix: -2.02 (0.14), residues: 720 sheet: -0.95 (0.07), residues: 4620 loop : -0.88 (0.07), residues: 7320 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.046 0.002 TRP 2 110 HIS 0.009 0.002 HIS O 188 PHE 0.042 0.003 PHE J 128 TYR 0.014 0.002 TYR s 67 ARG 0.003 0.001 ARG L 183 =============================================================================== Job complete usr+sys time: 60525.05 seconds wall clock time: 1039 minutes 6.31 seconds (62346.31 seconds total)