Starting phenix.real_space_refine (version: dev) on Fri Oct 22 08:03:21 2021 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7s1w_24806/10_2021/7s1w_24806_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7s1w_24806/10_2021/7s1w_24806.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=3.09 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7s1w_24806/10_2021/7s1w_24806.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7s1w_24806/10_2021/7s1w_24806.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7s1w_24806/10_2021/7s1w_24806_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7s1w_24806/10_2021/7s1w_24806_updated.pdb" } resolution = 3.09 write_initial_geo_file = False refinement { macro_cycles = 10 } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= 0.000 sd= 1.000 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Construct map_model_manager Extract box with map and model Check model and map are aligned Convert atoms to be neutral Process input model Symmetric amino acids flipped Residue "A TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 TYR 258": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 TYR 275": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 TYR 284": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 PHE 309": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 PHE 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 PHE 414": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 TYR 446": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 PHE 537": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 TYR 676": "CD1" <-> "CD2" "CE1" <-> "CE2" Time to flip residues: 0.43s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4376/modules/chem_data/mon_lib" Total number of atoms: 248700 Number of models: 1 Model: "" Number of chains: 120 Chain: "A" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "B" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "C" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "D" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "E" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "F" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "G" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "H" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "I" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "J" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "K" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "L" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "M" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "N" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "O" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "P" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "Q" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "R" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "S" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "T" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "U" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "V" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "W" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "X" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "Y" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "Z" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "a" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "b" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "c" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "d" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "e" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "f" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "g" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "h" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "i" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "j" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "k" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "l" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "m" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "n" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "o" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "p" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "q" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "r" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "s" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "t" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "u" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "v" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "w" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "x" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "y" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "z" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "1" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "2" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "3" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "4" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "5" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "6" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "7" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "8" Number of atoms: 4133 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} Conformer: "B" Number of residues, atoms: 520, 4128 Classifications: {'peptide': 520} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 33, 'TRANS': 485, 'PCIS': 1} bond proxies already assigned to first conformer: 4245 Chain: "A" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "B" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "C" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "D" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "E" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "F" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "G" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "H" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "I" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "J" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "K" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "L" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "M" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "N" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "O" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "P" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "Q" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "R" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "S" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "T" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "U" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "V" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "W" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "X" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "Y" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "Z" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "a" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "b" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "c" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "d" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "e" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "f" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "g" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "h" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "i" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "j" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "k" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "l" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "m" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "n" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "o" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "p" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "q" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "r" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "s" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "t" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "u" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "v" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "w" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "x" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "y" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "z" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "1" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "2" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "3" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "4" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "5" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "6" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "7" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Chain: "8" Number of atoms: 12 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 12 Unusual residues: {'GAL': 1} Classifications: {'undetermined': 1} Time building chain proxies: 163.27, per 1000 atoms: 0.66 Found NCS groups: ncs_group { reference = (chain '1' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain '2' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain '3' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain '4' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain '5' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain '6' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain '7' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain '8' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'A' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'B' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'C' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'D' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'E' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'F' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'G' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'H' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'I' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'J' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'K' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'L' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'M' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'N' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'O' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'P' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'Q' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'R' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'S' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'T' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'U' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'V' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'W' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'X' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'Y' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'Z' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'a' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'b' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'c' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'd' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'e' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'f' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'g' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'h' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'i' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'j' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'k' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'l' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'm' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'n' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'o' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'p' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'q' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'r' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 's' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 't' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'u' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'v' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'w' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'x' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'y' and (resid 219 through 229 or resid 231 through 738 or resid 801)) selection = (chain 'z' and (resid 219 through 229 or resid 231 through 738 or resid 801)) } Number of scatterers: 248700 At special positions: 0 Unit cell: (295.85, 295.85, 295.85, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 4 Type Number sf(0) S 840 16.00 O 48000 8.00 N 42840 7.00 C 157020 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=0, symmetry=0 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.50 Amimo 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: 66.20 Conformation dependent library (CDL) restraints added in 47.9 seconds 62160 Ramachandran restraints generated. 31080 Oldfield, 0 Emsley, 31080 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 57480 Finding SS restraints... Warning!!! ksdssp method is not applicable forstructures with more than 99999 atoms! Switching to from_ca. running find_ss_from_ca liberal... Secondary structure from input PDB file: 360 helices and 600 sheets defined 7.9% alpha, 36.5% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 20.59 Creating SS restraints... Processing helix chain 'A' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS A 293 " --> pdb=" O ARG A 289 " (cutoff:3.500A) Processing helix chain 'A' and resid 295 through 305 Processing helix chain 'A' and resid 472 through 477 removed outlier: 4.400A pdb=" N GLN A 476 " --> pdb=" O ASN A 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA A 477 " --> pdb=" O MET A 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 472 through 477' Processing helix chain 'A' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN A 498 " --> pdb=" O THR A 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN A 499 " --> pdb=" O LEU A 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 494 through 499' Processing helix chain 'A' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL A 560 " --> pdb=" O ASP A 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET A 561 " --> pdb=" O TYR A 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 556 through 561' Processing helix chain 'A' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR A 570 " --> pdb=" O GLU A 567 " (cutoff:3.500A) Processing helix chain 'B' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS B 293 " --> pdb=" O ARG B 289 " (cutoff:3.500A) Processing helix chain 'B' and resid 295 through 305 Processing helix chain 'B' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN B 476 " --> pdb=" O ASN B 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA B 477 " --> pdb=" O MET B 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 472 through 477' Processing helix chain 'B' and resid 494 through 499 removed outlier: 3.908A pdb=" N ASN B 498 " --> pdb=" O THR B 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN B 499 " --> pdb=" O LEU B 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 494 through 499' Processing helix chain 'B' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL B 560 " --> pdb=" O ASP B 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET B 561 " --> pdb=" O TYR B 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 556 through 561' Processing helix chain 'B' and resid 566 through 571 removed outlier: 4.141A pdb=" N THR B 570 " --> pdb=" O GLU B 567 " (cutoff:3.500A) Processing helix chain 'C' and resid 289 through 294 removed outlier: 4.206A pdb=" N HIS C 293 " --> pdb=" O ARG C 289 " (cutoff:3.500A) Processing helix chain 'C' and resid 295 through 305 Processing helix chain 'C' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN C 476 " --> pdb=" O ASN C 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA C 477 " --> pdb=" O MET C 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 472 through 477' Processing helix chain 'C' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN C 498 " --> pdb=" O THR C 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN C 499 " --> pdb=" O LEU C 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 494 through 499' Processing helix chain 'C' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL C 560 " --> pdb=" O ASP C 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET C 561 " --> pdb=" O TYR C 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 556 through 561' Processing helix chain 'C' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR C 570 " --> pdb=" O GLU C 567 " (cutoff:3.500A) Processing helix chain 'D' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS D 293 " --> pdb=" O ARG D 289 " (cutoff:3.500A) Processing helix chain 'D' and resid 295 through 305 Processing helix chain 'D' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN D 476 " --> pdb=" O ASN D 472 " (cutoff:3.500A) removed outlier: 5.960A pdb=" N ALA D 477 " --> pdb=" O MET D 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 472 through 477' Processing helix chain 'D' and resid 494 through 499 removed outlier: 3.908A pdb=" N ASN D 498 " --> pdb=" O THR D 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN D 499 " --> pdb=" O LEU D 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 494 through 499' Processing helix chain 'D' and resid 556 through 561 removed outlier: 3.932A pdb=" N VAL D 560 " --> pdb=" O ASP D 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET D 561 " --> pdb=" O TYR D 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 556 through 561' Processing helix chain 'D' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR D 570 " --> pdb=" O GLU D 567 " (cutoff:3.500A) Processing helix chain 'E' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS E 293 " --> pdb=" O ARG E 289 " (cutoff:3.500A) Processing helix chain 'E' and resid 295 through 305 Processing helix chain 'E' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN E 476 " --> pdb=" O ASN E 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA E 477 " --> pdb=" O MET E 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 472 through 477' Processing helix chain 'E' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN E 498 " --> pdb=" O THR E 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN E 499 " --> pdb=" O LEU E 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 494 through 499' Processing helix chain 'E' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL E 560 " --> pdb=" O ASP E 556 " (cutoff:3.500A) removed outlier: 5.429A pdb=" N MET E 561 " --> pdb=" O TYR E 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 556 through 561' Processing helix chain 'E' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR E 570 " --> pdb=" O GLU E 567 " (cutoff:3.500A) Processing helix chain 'F' and resid 289 through 294 removed outlier: 4.206A pdb=" N HIS F 293 " --> pdb=" O ARG F 289 " (cutoff:3.500A) Processing helix chain 'F' and resid 295 through 305 Processing helix chain 'F' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN F 476 " --> pdb=" O ASN F 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA F 477 " --> pdb=" O MET F 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'F' and resid 472 through 477' Processing helix chain 'F' and resid 494 through 499 removed outlier: 3.908A pdb=" N ASN F 498 " --> pdb=" O THR F 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN F 499 " --> pdb=" O LEU F 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'F' and resid 494 through 499' Processing helix chain 'F' and resid 556 through 561 removed outlier: 3.932A pdb=" N VAL F 560 " --> pdb=" O ASP F 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET F 561 " --> pdb=" O TYR F 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'F' and resid 556 through 561' Processing helix chain 'F' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR F 570 " --> pdb=" O GLU F 567 " (cutoff:3.500A) Processing helix chain 'G' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS G 293 " --> pdb=" O ARG G 289 " (cutoff:3.500A) Processing helix chain 'G' and resid 295 through 305 Processing helix chain 'G' and resid 472 through 477 removed outlier: 4.400A pdb=" N GLN G 476 " --> pdb=" O ASN G 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA G 477 " --> pdb=" O MET G 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 472 through 477' Processing helix chain 'G' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN G 498 " --> pdb=" O THR G 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN G 499 " --> pdb=" O LEU G 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 494 through 499' Processing helix chain 'G' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL G 560 " --> pdb=" O ASP G 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET G 561 " --> pdb=" O TYR G 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 556 through 561' Processing helix chain 'G' and resid 566 through 571 removed outlier: 4.139A pdb=" N THR G 570 " --> pdb=" O GLU G 567 " (cutoff:3.500A) Processing helix chain 'H' and resid 289 through 294 removed outlier: 4.204A pdb=" N HIS H 293 " --> pdb=" O ARG H 289 " (cutoff:3.500A) Processing helix chain 'H' and resid 295 through 305 Processing helix chain 'H' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN H 476 " --> pdb=" O ASN H 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA H 477 " --> pdb=" O MET H 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'H' and resid 472 through 477' Processing helix chain 'H' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN H 498 " --> pdb=" O THR H 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN H 499 " --> pdb=" O LEU H 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'H' and resid 494 through 499' Processing helix chain 'H' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL H 560 " --> pdb=" O ASP H 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET H 561 " --> pdb=" O TYR H 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'H' and resid 556 through 561' Processing helix chain 'H' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR H 570 " --> pdb=" O GLU H 567 " (cutoff:3.500A) Processing helix chain 'I' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS I 293 " --> pdb=" O ARG I 289 " (cutoff:3.500A) Processing helix chain 'I' and resid 295 through 305 Processing helix chain 'I' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN I 476 " --> pdb=" O ASN I 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA I 477 " --> pdb=" O MET I 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'I' and resid 472 through 477' Processing helix chain 'I' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN I 498 " --> pdb=" O THR I 494 " (cutoff:3.500A) removed outlier: 5.443A pdb=" N ASN I 499 " --> pdb=" O LEU I 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'I' and resid 494 through 499' Processing helix chain 'I' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL I 560 " --> pdb=" O ASP I 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET I 561 " --> pdb=" O TYR I 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'I' and resid 556 through 561' Processing helix chain 'I' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR I 570 " --> pdb=" O GLU I 567 " (cutoff:3.500A) Processing helix chain 'J' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS J 293 " --> pdb=" O ARG J 289 " (cutoff:3.500A) Processing helix chain 'J' and resid 295 through 305 Processing helix chain 'J' and resid 472 through 477 removed outlier: 4.400A pdb=" N GLN J 476 " --> pdb=" O ASN J 472 " (cutoff:3.500A) removed outlier: 5.962A pdb=" N ALA J 477 " --> pdb=" O MET J 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 472 through 477' Processing helix chain 'J' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN J 498 " --> pdb=" O THR J 494 " (cutoff:3.500A) removed outlier: 5.443A pdb=" N ASN J 499 " --> pdb=" O LEU J 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 494 through 499' Processing helix chain 'J' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL J 560 " --> pdb=" O ASP J 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET J 561 " --> pdb=" O TYR J 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 556 through 561' Processing helix chain 'J' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR J 570 " --> pdb=" O GLU J 567 " (cutoff:3.500A) Processing helix chain 'K' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS K 293 " --> pdb=" O ARG K 289 " (cutoff:3.500A) Processing helix chain 'K' and resid 295 through 305 Processing helix chain 'K' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN K 476 " --> pdb=" O ASN K 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA K 477 " --> pdb=" O MET K 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'K' and resid 472 through 477' Processing helix chain 'K' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN K 498 " --> pdb=" O THR K 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN K 499 " --> pdb=" O LEU K 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'K' and resid 494 through 499' Processing helix chain 'K' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL K 560 " --> pdb=" O ASP K 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET K 561 " --> pdb=" O TYR K 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'K' and resid 556 through 561' Processing helix chain 'K' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR K 570 " --> pdb=" O GLU K 567 " (cutoff:3.500A) Processing helix chain 'L' and resid 289 through 294 removed outlier: 4.206A pdb=" N HIS L 293 " --> pdb=" O ARG L 289 " (cutoff:3.500A) Processing helix chain 'L' and resid 295 through 305 Processing helix chain 'L' and resid 472 through 477 removed outlier: 4.400A pdb=" N GLN L 476 " --> pdb=" O ASN L 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA L 477 " --> pdb=" O MET L 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'L' and resid 472 through 477' Processing helix chain 'L' and resid 494 through 499 removed outlier: 3.908A pdb=" N ASN L 498 " --> pdb=" O THR L 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN L 499 " --> pdb=" O LEU L 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'L' and resid 494 through 499' Processing helix chain 'L' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL L 560 " --> pdb=" O ASP L 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET L 561 " --> pdb=" O TYR L 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'L' and resid 556 through 561' Processing helix chain 'L' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR L 570 " --> pdb=" O GLU L 567 " (cutoff:3.500A) Processing helix chain 'M' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS M 293 " --> pdb=" O ARG M 289 " (cutoff:3.500A) Processing helix chain 'M' and resid 295 through 305 Processing helix chain 'M' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN M 476 " --> pdb=" O ASN M 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA M 477 " --> pdb=" O MET M 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'M' and resid 472 through 477' Processing helix chain 'M' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN M 498 " --> pdb=" O THR M 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN M 499 " --> pdb=" O LEU M 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'M' and resid 494 through 499' Processing helix chain 'M' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL M 560 " --> pdb=" O ASP M 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET M 561 " --> pdb=" O TYR M 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'M' and resid 556 through 561' Processing helix chain 'M' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR M 570 " --> pdb=" O GLU M 567 " (cutoff:3.500A) Processing helix chain 'N' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS N 293 " --> pdb=" O ARG N 289 " (cutoff:3.500A) Processing helix chain 'N' and resid 295 through 305 Processing helix chain 'N' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN N 476 " --> pdb=" O ASN N 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA N 477 " --> pdb=" O MET N 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'N' and resid 472 through 477' Processing helix chain 'N' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN N 498 " --> pdb=" O THR N 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN N 499 " --> pdb=" O LEU N 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'N' and resid 494 through 499' Processing helix chain 'N' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL N 560 " --> pdb=" O ASP N 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET N 561 " --> pdb=" O TYR N 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'N' and resid 556 through 561' Processing helix chain 'N' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR N 570 " --> pdb=" O GLU N 567 " (cutoff:3.500A) Processing helix chain 'O' and resid 289 through 294 removed outlier: 4.206A pdb=" N HIS O 293 " --> pdb=" O ARG O 289 " (cutoff:3.500A) Processing helix chain 'O' and resid 295 through 305 Processing helix chain 'O' and resid 472 through 477 removed outlier: 4.400A pdb=" N GLN O 476 " --> pdb=" O ASN O 472 " (cutoff:3.500A) removed outlier: 5.960A pdb=" N ALA O 477 " --> pdb=" O MET O 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'O' and resid 472 through 477' Processing helix chain 'O' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN O 498 " --> pdb=" O THR O 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN O 499 " --> pdb=" O LEU O 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'O' and resid 494 through 499' Processing helix chain 'O' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL O 560 " --> pdb=" O ASP O 556 " (cutoff:3.500A) removed outlier: 5.429A pdb=" N MET O 561 " --> pdb=" O TYR O 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'O' and resid 556 through 561' Processing helix chain 'O' and resid 566 through 571 removed outlier: 4.141A pdb=" N THR O 570 " --> pdb=" O GLU O 567 " (cutoff:3.500A) Processing helix chain 'P' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS P 293 " --> pdb=" O ARG P 289 " (cutoff:3.500A) Processing helix chain 'P' and resid 295 through 305 Processing helix chain 'P' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN P 476 " --> pdb=" O ASN P 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA P 477 " --> pdb=" O MET P 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'P' and resid 472 through 477' Processing helix chain 'P' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN P 498 " --> pdb=" O THR P 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN P 499 " --> pdb=" O LEU P 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'P' and resid 494 through 499' Processing helix chain 'P' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL P 560 " --> pdb=" O ASP P 556 " (cutoff:3.500A) removed outlier: 5.429A pdb=" N MET P 561 " --> pdb=" O TYR P 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'P' and resid 556 through 561' Processing helix chain 'P' and resid 566 through 571 removed outlier: 4.141A pdb=" N THR P 570 " --> pdb=" O GLU P 567 " (cutoff:3.500A) Processing helix chain 'Q' and resid 289 through 294 removed outlier: 4.206A pdb=" N HIS Q 293 " --> pdb=" O ARG Q 289 " (cutoff:3.500A) Processing helix chain 'Q' and resid 295 through 305 Processing helix chain 'Q' and resid 472 through 477 removed outlier: 4.400A pdb=" N GLN Q 476 " --> pdb=" O ASN Q 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA Q 477 " --> pdb=" O MET Q 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'Q' and resid 472 through 477' Processing helix chain 'Q' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN Q 498 " --> pdb=" O THR Q 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN Q 499 " --> pdb=" O LEU Q 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'Q' and resid 494 through 499' Processing helix chain 'Q' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL Q 560 " --> pdb=" O ASP Q 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET Q 561 " --> pdb=" O TYR Q 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'Q' and resid 556 through 561' Processing helix chain 'Q' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR Q 570 " --> pdb=" O GLU Q 567 " (cutoff:3.500A) Processing helix chain 'R' and resid 289 through 294 removed outlier: 4.206A pdb=" N HIS R 293 " --> pdb=" O ARG R 289 " (cutoff:3.500A) Processing helix chain 'R' and resid 295 through 305 Processing helix chain 'R' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN R 476 " --> pdb=" O ASN R 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA R 477 " --> pdb=" O MET R 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'R' and resid 472 through 477' Processing helix chain 'R' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN R 498 " --> pdb=" O THR R 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN R 499 " --> pdb=" O LEU R 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'R' and resid 494 through 499' Processing helix chain 'R' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL R 560 " --> pdb=" O ASP R 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET R 561 " --> pdb=" O TYR R 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'R' and resid 556 through 561' Processing helix chain 'R' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR R 570 " --> pdb=" O GLU R 567 " (cutoff:3.500A) Processing helix chain 'S' and resid 289 through 294 removed outlier: 4.206A pdb=" N HIS S 293 " --> pdb=" O ARG S 289 " (cutoff:3.500A) Processing helix chain 'S' and resid 295 through 305 Processing helix chain 'S' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN S 476 " --> pdb=" O ASN S 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA S 477 " --> pdb=" O MET S 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'S' and resid 472 through 477' Processing helix chain 'S' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN S 498 " --> pdb=" O THR S 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN S 499 " --> pdb=" O LEU S 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'S' and resid 494 through 499' Processing helix chain 'S' and resid 556 through 561 removed outlier: 3.932A pdb=" N VAL S 560 " --> pdb=" O ASP S 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET S 561 " --> pdb=" O TYR S 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'S' and resid 556 through 561' Processing helix chain 'S' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR S 570 " --> pdb=" O GLU S 567 " (cutoff:3.500A) Processing helix chain 'T' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS T 293 " --> pdb=" O ARG T 289 " (cutoff:3.500A) Processing helix chain 'T' and resid 295 through 305 Processing helix chain 'T' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN T 476 " --> pdb=" O ASN T 472 " (cutoff:3.500A) removed outlier: 5.962A pdb=" N ALA T 477 " --> pdb=" O MET T 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'T' and resid 472 through 477' Processing helix chain 'T' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN T 498 " --> pdb=" O THR T 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN T 499 " --> pdb=" O LEU T 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'T' and resid 494 through 499' Processing helix chain 'T' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL T 560 " --> pdb=" O ASP T 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET T 561 " --> pdb=" O TYR T 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'T' and resid 556 through 561' Processing helix chain 'T' and resid 566 through 571 removed outlier: 4.139A pdb=" N THR T 570 " --> pdb=" O GLU T 567 " (cutoff:3.500A) Processing helix chain 'U' and resid 289 through 294 removed outlier: 4.206A pdb=" N HIS U 293 " --> pdb=" O ARG U 289 " (cutoff:3.500A) Processing helix chain 'U' and resid 295 through 305 Processing helix chain 'U' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN U 476 " --> pdb=" O ASN U 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA U 477 " --> pdb=" O MET U 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'U' and resid 472 through 477' Processing helix chain 'U' and resid 494 through 499 removed outlier: 3.908A pdb=" N ASN U 498 " --> pdb=" O THR U 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN U 499 " --> pdb=" O LEU U 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'U' and resid 494 through 499' Processing helix chain 'U' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL U 560 " --> pdb=" O ASP U 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET U 561 " --> pdb=" O TYR U 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'U' and resid 556 through 561' Processing helix chain 'U' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR U 570 " --> pdb=" O GLU U 567 " (cutoff:3.500A) Processing helix chain 'V' and resid 289 through 294 removed outlier: 4.206A pdb=" N HIS V 293 " --> pdb=" O ARG V 289 " (cutoff:3.500A) Processing helix chain 'V' and resid 295 through 305 Processing helix chain 'V' and resid 472 through 477 removed outlier: 4.400A pdb=" N GLN V 476 " --> pdb=" O ASN V 472 " (cutoff:3.500A) removed outlier: 5.962A pdb=" N ALA V 477 " --> pdb=" O MET V 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'V' and resid 472 through 477' Processing helix chain 'V' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN V 498 " --> pdb=" O THR V 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN V 499 " --> pdb=" O LEU V 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'V' and resid 494 through 499' Processing helix chain 'V' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL V 560 " --> pdb=" O ASP V 556 " (cutoff:3.500A) removed outlier: 5.429A pdb=" N MET V 561 " --> pdb=" O TYR V 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'V' and resid 556 through 561' Processing helix chain 'V' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR V 570 " --> pdb=" O GLU V 567 " (cutoff:3.500A) Processing helix chain 'W' and resid 289 through 294 removed outlier: 4.206A pdb=" N HIS W 293 " --> pdb=" O ARG W 289 " (cutoff:3.500A) Processing helix chain 'W' and resid 295 through 305 Processing helix chain 'W' and resid 472 through 477 removed outlier: 4.400A pdb=" N GLN W 476 " --> pdb=" O ASN W 472 " (cutoff:3.500A) removed outlier: 5.960A pdb=" N ALA W 477 " --> pdb=" O MET W 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'W' and resid 472 through 477' Processing helix chain 'W' and resid 494 through 499 removed outlier: 3.908A pdb=" N ASN W 498 " --> pdb=" O THR W 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN W 499 " --> pdb=" O LEU W 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'W' and resid 494 through 499' Processing helix chain 'W' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL W 560 " --> pdb=" O ASP W 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET W 561 " --> pdb=" O TYR W 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'W' and resid 556 through 561' Processing helix chain 'W' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR W 570 " --> pdb=" O GLU W 567 " (cutoff:3.500A) Processing helix chain 'X' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS X 293 " --> pdb=" O ARG X 289 " (cutoff:3.500A) Processing helix chain 'X' and resid 295 through 305 Processing helix chain 'X' and resid 472 through 477 removed outlier: 4.400A pdb=" N GLN X 476 " --> pdb=" O ASN X 472 " (cutoff:3.500A) removed outlier: 5.962A pdb=" N ALA X 477 " --> pdb=" O MET X 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'X' and resid 472 through 477' Processing helix chain 'X' and resid 494 through 499 removed outlier: 3.908A pdb=" N ASN X 498 " --> pdb=" O THR X 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN X 499 " --> pdb=" O LEU X 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'X' and resid 494 through 499' Processing helix chain 'X' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL X 560 " --> pdb=" O ASP X 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET X 561 " --> pdb=" O TYR X 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'X' and resid 556 through 561' Processing helix chain 'X' and resid 566 through 571 removed outlier: 4.141A pdb=" N THR X 570 " --> pdb=" O GLU X 567 " (cutoff:3.500A) Processing helix chain 'Y' and resid 289 through 294 removed outlier: 4.206A pdb=" N HIS Y 293 " --> pdb=" O ARG Y 289 " (cutoff:3.500A) Processing helix chain 'Y' and resid 295 through 305 Processing helix chain 'Y' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN Y 476 " --> pdb=" O ASN Y 472 " (cutoff:3.500A) removed outlier: 5.962A pdb=" N ALA Y 477 " --> pdb=" O MET Y 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'Y' and resid 472 through 477' Processing helix chain 'Y' and resid 494 through 499 removed outlier: 3.908A pdb=" N ASN Y 498 " --> pdb=" O THR Y 494 " (cutoff:3.500A) removed outlier: 5.443A pdb=" N ASN Y 499 " --> pdb=" O LEU Y 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'Y' and resid 494 through 499' Processing helix chain 'Y' and resid 556 through 561 removed outlier: 3.932A pdb=" N VAL Y 560 " --> pdb=" O ASP Y 556 " (cutoff:3.500A) removed outlier: 5.429A pdb=" N MET Y 561 " --> pdb=" O TYR Y 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'Y' and resid 556 through 561' Processing helix chain 'Y' and resid 566 through 571 removed outlier: 4.141A pdb=" N THR Y 570 " --> pdb=" O GLU Y 567 " (cutoff:3.500A) Processing helix chain 'Z' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS Z 293 " --> pdb=" O ARG Z 289 " (cutoff:3.500A) Processing helix chain 'Z' and resid 295 through 305 Processing helix chain 'Z' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN Z 476 " --> pdb=" O ASN Z 472 " (cutoff:3.500A) removed outlier: 5.960A pdb=" N ALA Z 477 " --> pdb=" O MET Z 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'Z' and resid 472 through 477' Processing helix chain 'Z' and resid 494 through 499 removed outlier: 3.910A pdb=" N ASN Z 498 " --> pdb=" O THR Z 494 " (cutoff:3.500A) removed outlier: 5.443A pdb=" N ASN Z 499 " --> pdb=" O LEU Z 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'Z' and resid 494 through 499' Processing helix chain 'Z' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL Z 560 " --> pdb=" O ASP Z 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET Z 561 " --> pdb=" O TYR Z 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'Z' and resid 556 through 561' Processing helix chain 'Z' and resid 566 through 571 removed outlier: 4.139A pdb=" N THR Z 570 " --> pdb=" O GLU Z 567 " (cutoff:3.500A) Processing helix chain 'a' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS a 293 " --> pdb=" O ARG a 289 " (cutoff:3.500A) Processing helix chain 'a' and resid 295 through 305 Processing helix chain 'a' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN a 476 " --> pdb=" O ASN a 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA a 477 " --> pdb=" O MET a 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'a' and resid 472 through 477' Processing helix chain 'a' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN a 498 " --> pdb=" O THR a 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN a 499 " --> pdb=" O LEU a 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'a' and resid 494 through 499' Processing helix chain 'a' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL a 560 " --> pdb=" O ASP a 556 " (cutoff:3.500A) removed outlier: 5.429A pdb=" N MET a 561 " --> pdb=" O TYR a 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'a' and resid 556 through 561' Processing helix chain 'a' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR a 570 " --> pdb=" O GLU a 567 " (cutoff:3.500A) Processing helix chain 'b' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS b 293 " --> pdb=" O ARG b 289 " (cutoff:3.500A) Processing helix chain 'b' and resid 295 through 305 Processing helix chain 'b' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN b 476 " --> pdb=" O ASN b 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA b 477 " --> pdb=" O MET b 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'b' and resid 472 through 477' Processing helix chain 'b' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN b 498 " --> pdb=" O THR b 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN b 499 " --> pdb=" O LEU b 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'b' and resid 494 through 499' Processing helix chain 'b' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL b 560 " --> pdb=" O ASP b 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET b 561 " --> pdb=" O TYR b 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'b' and resid 556 through 561' Processing helix chain 'b' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR b 570 " --> pdb=" O GLU b 567 " (cutoff:3.500A) Processing helix chain 'c' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS c 293 " --> pdb=" O ARG c 289 " (cutoff:3.500A) Processing helix chain 'c' and resid 295 through 305 Processing helix chain 'c' and resid 472 through 477 removed outlier: 4.400A pdb=" N GLN c 476 " --> pdb=" O ASN c 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA c 477 " --> pdb=" O MET c 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'c' and resid 472 through 477' Processing helix chain 'c' and resid 494 through 499 removed outlier: 3.908A pdb=" N ASN c 498 " --> pdb=" O THR c 494 " (cutoff:3.500A) removed outlier: 5.443A pdb=" N ASN c 499 " --> pdb=" O LEU c 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'c' and resid 494 through 499' Processing helix chain 'c' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL c 560 " --> pdb=" O ASP c 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET c 561 " --> pdb=" O TYR c 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'c' and resid 556 through 561' Processing helix chain 'c' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR c 570 " --> pdb=" O GLU c 567 " (cutoff:3.500A) Processing helix chain 'd' and resid 289 through 294 removed outlier: 4.206A pdb=" N HIS d 293 " --> pdb=" O ARG d 289 " (cutoff:3.500A) Processing helix chain 'd' and resid 295 through 305 Processing helix chain 'd' and resid 472 through 477 removed outlier: 4.400A pdb=" N GLN d 476 " --> pdb=" O ASN d 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA d 477 " --> pdb=" O MET d 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'd' and resid 472 through 477' Processing helix chain 'd' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN d 498 " --> pdb=" O THR d 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN d 499 " --> pdb=" O LEU d 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'd' and resid 494 through 499' Processing helix chain 'd' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL d 560 " --> pdb=" O ASP d 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET d 561 " --> pdb=" O TYR d 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'd' and resid 556 through 561' Processing helix chain 'd' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR d 570 " --> pdb=" O GLU d 567 " (cutoff:3.500A) Processing helix chain 'e' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS e 293 " --> pdb=" O ARG e 289 " (cutoff:3.500A) Processing helix chain 'e' and resid 295 through 305 Processing helix chain 'e' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN e 476 " --> pdb=" O ASN e 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA e 477 " --> pdb=" O MET e 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'e' and resid 472 through 477' Processing helix chain 'e' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN e 498 " --> pdb=" O THR e 494 " (cutoff:3.500A) removed outlier: 5.443A pdb=" N ASN e 499 " --> pdb=" O LEU e 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'e' and resid 494 through 499' Processing helix chain 'e' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL e 560 " --> pdb=" O ASP e 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET e 561 " --> pdb=" O TYR e 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'e' and resid 556 through 561' Processing helix chain 'e' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR e 570 " --> pdb=" O GLU e 567 " (cutoff:3.500A) Processing helix chain 'f' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS f 293 " --> pdb=" O ARG f 289 " (cutoff:3.500A) Processing helix chain 'f' and resid 295 through 305 Processing helix chain 'f' and resid 472 through 477 removed outlier: 4.400A pdb=" N GLN f 476 " --> pdb=" O ASN f 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA f 477 " --> pdb=" O MET f 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'f' and resid 472 through 477' Processing helix chain 'f' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN f 498 " --> pdb=" O THR f 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN f 499 " --> pdb=" O LEU f 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'f' and resid 494 through 499' Processing helix chain 'f' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL f 560 " --> pdb=" O ASP f 556 " (cutoff:3.500A) removed outlier: 5.429A pdb=" N MET f 561 " --> pdb=" O TYR f 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'f' and resid 556 through 561' Processing helix chain 'f' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR f 570 " --> pdb=" O GLU f 567 " (cutoff:3.500A) Processing helix chain 'g' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS g 293 " --> pdb=" O ARG g 289 " (cutoff:3.500A) Processing helix chain 'g' and resid 295 through 305 Processing helix chain 'g' and resid 472 through 477 removed outlier: 4.400A pdb=" N GLN g 476 " --> pdb=" O ASN g 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA g 477 " --> pdb=" O MET g 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'g' and resid 472 through 477' Processing helix chain 'g' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN g 498 " --> pdb=" O THR g 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN g 499 " --> pdb=" O LEU g 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'g' and resid 494 through 499' Processing helix chain 'g' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL g 560 " --> pdb=" O ASP g 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET g 561 " --> pdb=" O TYR g 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'g' and resid 556 through 561' Processing helix chain 'g' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR g 570 " --> pdb=" O GLU g 567 " (cutoff:3.500A) Processing helix chain 'h' and resid 289 through 294 removed outlier: 4.206A pdb=" N HIS h 293 " --> pdb=" O ARG h 289 " (cutoff:3.500A) Processing helix chain 'h' and resid 295 through 305 Processing helix chain 'h' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN h 476 " --> pdb=" O ASN h 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA h 477 " --> pdb=" O MET h 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'h' and resid 472 through 477' Processing helix chain 'h' and resid 494 through 499 removed outlier: 3.908A pdb=" N ASN h 498 " --> pdb=" O THR h 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN h 499 " --> pdb=" O LEU h 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'h' and resid 494 through 499' Processing helix chain 'h' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL h 560 " --> pdb=" O ASP h 556 " (cutoff:3.500A) removed outlier: 5.429A pdb=" N MET h 561 " --> pdb=" O TYR h 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'h' and resid 556 through 561' Processing helix chain 'h' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR h 570 " --> pdb=" O GLU h 567 " (cutoff:3.500A) Processing helix chain 'i' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS i 293 " --> pdb=" O ARG i 289 " (cutoff:3.500A) Processing helix chain 'i' and resid 295 through 305 Processing helix chain 'i' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN i 476 " --> pdb=" O ASN i 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA i 477 " --> pdb=" O MET i 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'i' and resid 472 through 477' Processing helix chain 'i' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN i 498 " --> pdb=" O THR i 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN i 499 " --> pdb=" O LEU i 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'i' and resid 494 through 499' Processing helix chain 'i' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL i 560 " --> pdb=" O ASP i 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET i 561 " --> pdb=" O TYR i 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'i' and resid 556 through 561' Processing helix chain 'i' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR i 570 " --> pdb=" O GLU i 567 " (cutoff:3.500A) Processing helix chain 'j' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS j 293 " --> pdb=" O ARG j 289 " (cutoff:3.500A) Processing helix chain 'j' and resid 295 through 305 Processing helix chain 'j' and resid 472 through 477 removed outlier: 4.400A pdb=" N GLN j 476 " --> pdb=" O ASN j 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA j 477 " --> pdb=" O MET j 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'j' and resid 472 through 477' Processing helix chain 'j' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN j 498 " --> pdb=" O THR j 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN j 499 " --> pdb=" O LEU j 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'j' and resid 494 through 499' Processing helix chain 'j' and resid 556 through 561 removed outlier: 3.932A pdb=" N VAL j 560 " --> pdb=" O ASP j 556 " (cutoff:3.500A) removed outlier: 5.429A pdb=" N MET j 561 " --> pdb=" O TYR j 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'j' and resid 556 through 561' Processing helix chain 'j' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR j 570 " --> pdb=" O GLU j 567 " (cutoff:3.500A) Processing helix chain 'k' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS k 293 " --> pdb=" O ARG k 289 " (cutoff:3.500A) Processing helix chain 'k' and resid 295 through 305 Processing helix chain 'k' and resid 472 through 477 removed outlier: 4.400A pdb=" N GLN k 476 " --> pdb=" O ASN k 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA k 477 " --> pdb=" O MET k 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'k' and resid 472 through 477' Processing helix chain 'k' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN k 498 " --> pdb=" O THR k 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN k 499 " --> pdb=" O LEU k 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'k' and resid 494 through 499' Processing helix chain 'k' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL k 560 " --> pdb=" O ASP k 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET k 561 " --> pdb=" O TYR k 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'k' and resid 556 through 561' Processing helix chain 'k' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR k 570 " --> pdb=" O GLU k 567 " (cutoff:3.500A) Processing helix chain 'l' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS l 293 " --> pdb=" O ARG l 289 " (cutoff:3.500A) Processing helix chain 'l' and resid 295 through 305 Processing helix chain 'l' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN l 476 " --> pdb=" O ASN l 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA l 477 " --> pdb=" O MET l 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'l' and resid 472 through 477' Processing helix chain 'l' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN l 498 " --> pdb=" O THR l 494 " (cutoff:3.500A) removed outlier: 5.443A pdb=" N ASN l 499 " --> pdb=" O LEU l 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'l' and resid 494 through 499' Processing helix chain 'l' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL l 560 " --> pdb=" O ASP l 556 " (cutoff:3.500A) removed outlier: 5.429A pdb=" N MET l 561 " --> pdb=" O TYR l 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'l' and resid 556 through 561' Processing helix chain 'l' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR l 570 " --> pdb=" O GLU l 567 " (cutoff:3.500A) Processing helix chain 'm' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS m 293 " --> pdb=" O ARG m 289 " (cutoff:3.500A) Processing helix chain 'm' and resid 295 through 305 Processing helix chain 'm' and resid 472 through 477 removed outlier: 4.400A pdb=" N GLN m 476 " --> pdb=" O ASN m 472 " (cutoff:3.500A) removed outlier: 5.960A pdb=" N ALA m 477 " --> pdb=" O MET m 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'm' and resid 472 through 477' Processing helix chain 'm' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN m 498 " --> pdb=" O THR m 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN m 499 " --> pdb=" O LEU m 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'm' and resid 494 through 499' Processing helix chain 'm' and resid 556 through 561 removed outlier: 3.932A pdb=" N VAL m 560 " --> pdb=" O ASP m 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET m 561 " --> pdb=" O TYR m 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'm' and resid 556 through 561' Processing helix chain 'm' and resid 566 through 571 removed outlier: 4.139A pdb=" N THR m 570 " --> pdb=" O GLU m 567 " (cutoff:3.500A) Processing helix chain 'n' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS n 293 " --> pdb=" O ARG n 289 " (cutoff:3.500A) Processing helix chain 'n' and resid 295 through 305 Processing helix chain 'n' and resid 472 through 477 removed outlier: 4.400A pdb=" N GLN n 476 " --> pdb=" O ASN n 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA n 477 " --> pdb=" O MET n 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'n' and resid 472 through 477' Processing helix chain 'n' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN n 498 " --> pdb=" O THR n 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN n 499 " --> pdb=" O LEU n 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'n' and resid 494 through 499' Processing helix chain 'n' and resid 556 through 561 removed outlier: 3.932A pdb=" N VAL n 560 " --> pdb=" O ASP n 556 " (cutoff:3.500A) removed outlier: 5.427A pdb=" N MET n 561 " --> pdb=" O TYR n 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'n' and resid 556 through 561' Processing helix chain 'n' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR n 570 " --> pdb=" O GLU n 567 " (cutoff:3.500A) Processing helix chain 'o' and resid 289 through 294 removed outlier: 4.206A pdb=" N HIS o 293 " --> pdb=" O ARG o 289 " (cutoff:3.500A) Processing helix chain 'o' and resid 295 through 305 Processing helix chain 'o' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN o 476 " --> pdb=" O ASN o 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA o 477 " --> pdb=" O MET o 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'o' and resid 472 through 477' Processing helix chain 'o' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN o 498 " --> pdb=" O THR o 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN o 499 " --> pdb=" O LEU o 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'o' and resid 494 through 499' Processing helix chain 'o' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL o 560 " --> pdb=" O ASP o 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET o 561 " --> pdb=" O TYR o 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'o' and resid 556 through 561' Processing helix chain 'o' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR o 570 " --> pdb=" O GLU o 567 " (cutoff:3.500A) Processing helix chain 'p' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS p 293 " --> pdb=" O ARG p 289 " (cutoff:3.500A) Processing helix chain 'p' and resid 295 through 305 Processing helix chain 'p' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN p 476 " --> pdb=" O ASN p 472 " (cutoff:3.500A) removed outlier: 5.962A pdb=" N ALA p 477 " --> pdb=" O MET p 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'p' and resid 472 through 477' Processing helix chain 'p' and resid 494 through 499 removed outlier: 3.908A pdb=" N ASN p 498 " --> pdb=" O THR p 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN p 499 " --> pdb=" O LEU p 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'p' and resid 494 through 499' Processing helix chain 'p' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL p 560 " --> pdb=" O ASP p 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET p 561 " --> pdb=" O TYR p 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'p' and resid 556 through 561' Processing helix chain 'p' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR p 570 " --> pdb=" O GLU p 567 " (cutoff:3.500A) Processing helix chain 'q' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS q 293 " --> pdb=" O ARG q 289 " (cutoff:3.500A) Processing helix chain 'q' and resid 295 through 305 Processing helix chain 'q' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN q 476 " --> pdb=" O ASN q 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA q 477 " --> pdb=" O MET q 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'q' and resid 472 through 477' Processing helix chain 'q' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN q 498 " --> pdb=" O THR q 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN q 499 " --> pdb=" O LEU q 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'q' and resid 494 through 499' Processing helix chain 'q' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL q 560 " --> pdb=" O ASP q 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET q 561 " --> pdb=" O TYR q 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'q' and resid 556 through 561' Processing helix chain 'q' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR q 570 " --> pdb=" O GLU q 567 " (cutoff:3.500A) Processing helix chain 'r' and resid 289 through 294 removed outlier: 4.206A pdb=" N HIS r 293 " --> pdb=" O ARG r 289 " (cutoff:3.500A) Processing helix chain 'r' and resid 295 through 305 Processing helix chain 'r' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN r 476 " --> pdb=" O ASN r 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA r 477 " --> pdb=" O MET r 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'r' and resid 472 through 477' Processing helix chain 'r' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN r 498 " --> pdb=" O THR r 494 " (cutoff:3.500A) removed outlier: 5.443A pdb=" N ASN r 499 " --> pdb=" O LEU r 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'r' and resid 494 through 499' Processing helix chain 'r' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL r 560 " --> pdb=" O ASP r 556 " (cutoff:3.500A) removed outlier: 5.429A pdb=" N MET r 561 " --> pdb=" O TYR r 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'r' and resid 556 through 561' Processing helix chain 'r' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR r 570 " --> pdb=" O GLU r 567 " (cutoff:3.500A) Processing helix chain 's' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS s 293 " --> pdb=" O ARG s 289 " (cutoff:3.500A) Processing helix chain 's' and resid 295 through 305 Processing helix chain 's' and resid 472 through 477 removed outlier: 4.400A pdb=" N GLN s 476 " --> pdb=" O ASN s 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA s 477 " --> pdb=" O MET s 473 " (cutoff:3.500A) No H-bonds generated for 'chain 's' and resid 472 through 477' Processing helix chain 's' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN s 498 " --> pdb=" O THR s 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN s 499 " --> pdb=" O LEU s 495 " (cutoff:3.500A) No H-bonds generated for 'chain 's' and resid 494 through 499' Processing helix chain 's' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL s 560 " --> pdb=" O ASP s 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET s 561 " --> pdb=" O TYR s 557 " (cutoff:3.500A) No H-bonds generated for 'chain 's' and resid 556 through 561' Processing helix chain 's' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR s 570 " --> pdb=" O GLU s 567 " (cutoff:3.500A) Processing helix chain 't' and resid 289 through 294 removed outlier: 4.206A pdb=" N HIS t 293 " --> pdb=" O ARG t 289 " (cutoff:3.500A) Processing helix chain 't' and resid 295 through 305 Processing helix chain 't' and resid 472 through 477 removed outlier: 4.400A pdb=" N GLN t 476 " --> pdb=" O ASN t 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA t 477 " --> pdb=" O MET t 473 " (cutoff:3.500A) No H-bonds generated for 'chain 't' and resid 472 through 477' Processing helix chain 't' and resid 494 through 499 removed outlier: 3.908A pdb=" N ASN t 498 " --> pdb=" O THR t 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN t 499 " --> pdb=" O LEU t 495 " (cutoff:3.500A) No H-bonds generated for 'chain 't' and resid 494 through 499' Processing helix chain 't' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL t 560 " --> pdb=" O ASP t 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET t 561 " --> pdb=" O TYR t 557 " (cutoff:3.500A) No H-bonds generated for 'chain 't' and resid 556 through 561' Processing helix chain 't' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR t 570 " --> pdb=" O GLU t 567 " (cutoff:3.500A) Processing helix chain 'u' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS u 293 " --> pdb=" O ARG u 289 " (cutoff:3.500A) Processing helix chain 'u' and resid 295 through 305 Processing helix chain 'u' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN u 476 " --> pdb=" O ASN u 472 " (cutoff:3.500A) removed outlier: 5.962A pdb=" N ALA u 477 " --> pdb=" O MET u 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'u' and resid 472 through 477' Processing helix chain 'u' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN u 498 " --> pdb=" O THR u 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN u 499 " --> pdb=" O LEU u 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'u' and resid 494 through 499' Processing helix chain 'u' and resid 556 through 561 removed outlier: 3.932A pdb=" N VAL u 560 " --> pdb=" O ASP u 556 " (cutoff:3.500A) removed outlier: 5.427A pdb=" N MET u 561 " --> pdb=" O TYR u 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'u' and resid 556 through 561' Processing helix chain 'u' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR u 570 " --> pdb=" O GLU u 567 " (cutoff:3.500A) Processing helix chain 'v' and resid 289 through 294 removed outlier: 4.206A pdb=" N HIS v 293 " --> pdb=" O ARG v 289 " (cutoff:3.500A) Processing helix chain 'v' and resid 295 through 305 Processing helix chain 'v' and resid 472 through 477 removed outlier: 4.400A pdb=" N GLN v 476 " --> pdb=" O ASN v 472 " (cutoff:3.500A) removed outlier: 5.962A pdb=" N ALA v 477 " --> pdb=" O MET v 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'v' and resid 472 through 477' Processing helix chain 'v' and resid 494 through 499 removed outlier: 3.908A pdb=" N ASN v 498 " --> pdb=" O THR v 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN v 499 " --> pdb=" O LEU v 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'v' and resid 494 through 499' Processing helix chain 'v' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL v 560 " --> pdb=" O ASP v 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET v 561 " --> pdb=" O TYR v 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'v' and resid 556 through 561' Processing helix chain 'v' and resid 566 through 571 removed outlier: 4.141A pdb=" N THR v 570 " --> pdb=" O GLU v 567 " (cutoff:3.500A) Processing helix chain 'w' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS w 293 " --> pdb=" O ARG w 289 " (cutoff:3.500A) Processing helix chain 'w' and resid 295 through 305 Processing helix chain 'w' and resid 472 through 477 removed outlier: 4.400A pdb=" N GLN w 476 " --> pdb=" O ASN w 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA w 477 " --> pdb=" O MET w 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'w' and resid 472 through 477' Processing helix chain 'w' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN w 498 " --> pdb=" O THR w 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN w 499 " --> pdb=" O LEU w 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'w' and resid 494 through 499' Processing helix chain 'w' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL w 560 " --> pdb=" O ASP w 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET w 561 " --> pdb=" O TYR w 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'w' and resid 556 through 561' Processing helix chain 'w' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR w 570 " --> pdb=" O GLU w 567 " (cutoff:3.500A) Processing helix chain 'x' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS x 293 " --> pdb=" O ARG x 289 " (cutoff:3.500A) Processing helix chain 'x' and resid 295 through 305 Processing helix chain 'x' and resid 472 through 477 removed outlier: 4.400A pdb=" N GLN x 476 " --> pdb=" O ASN x 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA x 477 " --> pdb=" O MET x 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'x' and resid 472 through 477' Processing helix chain 'x' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN x 498 " --> pdb=" O THR x 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN x 499 " --> pdb=" O LEU x 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'x' and resid 494 through 499' Processing helix chain 'x' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL x 560 " --> pdb=" O ASP x 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET x 561 " --> pdb=" O TYR x 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'x' and resid 556 through 561' Processing helix chain 'x' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR x 570 " --> pdb=" O GLU x 567 " (cutoff:3.500A) Processing helix chain 'y' and resid 289 through 294 removed outlier: 4.206A pdb=" N HIS y 293 " --> pdb=" O ARG y 289 " (cutoff:3.500A) Processing helix chain 'y' and resid 295 through 305 Processing helix chain 'y' and resid 472 through 477 removed outlier: 4.400A pdb=" N GLN y 476 " --> pdb=" O ASN y 472 " (cutoff:3.500A) removed outlier: 5.962A pdb=" N ALA y 477 " --> pdb=" O MET y 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'y' and resid 472 through 477' Processing helix chain 'y' and resid 494 through 499 removed outlier: 3.908A pdb=" N ASN y 498 " --> pdb=" O THR y 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN y 499 " --> pdb=" O LEU y 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'y' and resid 494 through 499' Processing helix chain 'y' and resid 556 through 561 removed outlier: 3.934A pdb=" N VAL y 560 " --> pdb=" O ASP y 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET y 561 " --> pdb=" O TYR y 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'y' and resid 556 through 561' Processing helix chain 'y' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR y 570 " --> pdb=" O GLU y 567 " (cutoff:3.500A) Processing helix chain 'z' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS z 293 " --> pdb=" O ARG z 289 " (cutoff:3.500A) Processing helix chain 'z' and resid 295 through 305 Processing helix chain 'z' and resid 472 through 477 removed outlier: 4.400A pdb=" N GLN z 476 " --> pdb=" O ASN z 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA z 477 " --> pdb=" O MET z 473 " (cutoff:3.500A) No H-bonds generated for 'chain 'z' and resid 472 through 477' Processing helix chain 'z' and resid 494 through 499 removed outlier: 3.908A pdb=" N ASN z 498 " --> pdb=" O THR z 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN z 499 " --> pdb=" O LEU z 495 " (cutoff:3.500A) No H-bonds generated for 'chain 'z' and resid 494 through 499' Processing helix chain 'z' and resid 556 through 561 removed outlier: 3.932A pdb=" N VAL z 560 " --> pdb=" O ASP z 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET z 561 " --> pdb=" O TYR z 557 " (cutoff:3.500A) No H-bonds generated for 'chain 'z' and resid 556 through 561' Processing helix chain 'z' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR z 570 " --> pdb=" O GLU z 567 " (cutoff:3.500A) Processing helix chain '1' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS 1 293 " --> pdb=" O ARG 1 289 " (cutoff:3.500A) Processing helix chain '1' and resid 295 through 305 Processing helix chain '1' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN 1 476 " --> pdb=" O ASN 1 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA 1 477 " --> pdb=" O MET 1 473 " (cutoff:3.500A) No H-bonds generated for 'chain '1' and resid 472 through 477' Processing helix chain '1' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN 1 498 " --> pdb=" O THR 1 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN 1 499 " --> pdb=" O LEU 1 495 " (cutoff:3.500A) No H-bonds generated for 'chain '1' and resid 494 through 499' Processing helix chain '1' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL 1 560 " --> pdb=" O ASP 1 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET 1 561 " --> pdb=" O TYR 1 557 " (cutoff:3.500A) No H-bonds generated for 'chain '1' and resid 556 through 561' Processing helix chain '1' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR 1 570 " --> pdb=" O GLU 1 567 " (cutoff:3.500A) Processing helix chain '2' and resid 289 through 294 removed outlier: 4.206A pdb=" N HIS 2 293 " --> pdb=" O ARG 2 289 " (cutoff:3.500A) Processing helix chain '2' and resid 295 through 305 Processing helix chain '2' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN 2 476 " --> pdb=" O ASN 2 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA 2 477 " --> pdb=" O MET 2 473 " (cutoff:3.500A) No H-bonds generated for 'chain '2' and resid 472 through 477' Processing helix chain '2' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN 2 498 " --> pdb=" O THR 2 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN 2 499 " --> pdb=" O LEU 2 495 " (cutoff:3.500A) No H-bonds generated for 'chain '2' and resid 494 through 499' Processing helix chain '2' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL 2 560 " --> pdb=" O ASP 2 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET 2 561 " --> pdb=" O TYR 2 557 " (cutoff:3.500A) No H-bonds generated for 'chain '2' and resid 556 through 561' Processing helix chain '2' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR 2 570 " --> pdb=" O GLU 2 567 " (cutoff:3.500A) Processing helix chain '3' and resid 289 through 294 removed outlier: 4.206A pdb=" N HIS 3 293 " --> pdb=" O ARG 3 289 " (cutoff:3.500A) Processing helix chain '3' and resid 295 through 305 Processing helix chain '3' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN 3 476 " --> pdb=" O ASN 3 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA 3 477 " --> pdb=" O MET 3 473 " (cutoff:3.500A) No H-bonds generated for 'chain '3' and resid 472 through 477' Processing helix chain '3' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN 3 498 " --> pdb=" O THR 3 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN 3 499 " --> pdb=" O LEU 3 495 " (cutoff:3.500A) No H-bonds generated for 'chain '3' and resid 494 through 499' Processing helix chain '3' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL 3 560 " --> pdb=" O ASP 3 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET 3 561 " --> pdb=" O TYR 3 557 " (cutoff:3.500A) No H-bonds generated for 'chain '3' and resid 556 through 561' Processing helix chain '3' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR 3 570 " --> pdb=" O GLU 3 567 " (cutoff:3.500A) Processing helix chain '4' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS 4 293 " --> pdb=" O ARG 4 289 " (cutoff:3.500A) Processing helix chain '4' and resid 295 through 305 Processing helix chain '4' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN 4 476 " --> pdb=" O ASN 4 472 " (cutoff:3.500A) removed outlier: 5.960A pdb=" N ALA 4 477 " --> pdb=" O MET 4 473 " (cutoff:3.500A) No H-bonds generated for 'chain '4' and resid 472 through 477' Processing helix chain '4' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN 4 498 " --> pdb=" O THR 4 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN 4 499 " --> pdb=" O LEU 4 495 " (cutoff:3.500A) No H-bonds generated for 'chain '4' and resid 494 through 499' Processing helix chain '4' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL 4 560 " --> pdb=" O ASP 4 556 " (cutoff:3.500A) removed outlier: 5.429A pdb=" N MET 4 561 " --> pdb=" O TYR 4 557 " (cutoff:3.500A) No H-bonds generated for 'chain '4' and resid 556 through 561' Processing helix chain '4' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR 4 570 " --> pdb=" O GLU 4 567 " (cutoff:3.500A) Processing helix chain '5' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS 5 293 " --> pdb=" O ARG 5 289 " (cutoff:3.500A) Processing helix chain '5' and resid 295 through 305 Processing helix chain '5' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN 5 476 " --> pdb=" O ASN 5 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA 5 477 " --> pdb=" O MET 5 473 " (cutoff:3.500A) No H-bonds generated for 'chain '5' and resid 472 through 477' Processing helix chain '5' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN 5 498 " --> pdb=" O THR 5 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN 5 499 " --> pdb=" O LEU 5 495 " (cutoff:3.500A) No H-bonds generated for 'chain '5' and resid 494 through 499' Processing helix chain '5' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL 5 560 " --> pdb=" O ASP 5 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET 5 561 " --> pdb=" O TYR 5 557 " (cutoff:3.500A) No H-bonds generated for 'chain '5' and resid 556 through 561' Processing helix chain '5' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR 5 570 " --> pdb=" O GLU 5 567 " (cutoff:3.500A) Processing helix chain '6' and resid 289 through 294 removed outlier: 4.206A pdb=" N HIS 6 293 " --> pdb=" O ARG 6 289 " (cutoff:3.500A) Processing helix chain '6' and resid 295 through 305 Processing helix chain '6' and resid 472 through 477 removed outlier: 4.400A pdb=" N GLN 6 476 " --> pdb=" O ASN 6 472 " (cutoff:3.500A) removed outlier: 5.962A pdb=" N ALA 6 477 " --> pdb=" O MET 6 473 " (cutoff:3.500A) No H-bonds generated for 'chain '6' and resid 472 through 477' Processing helix chain '6' and resid 494 through 499 removed outlier: 3.908A pdb=" N ASN 6 498 " --> pdb=" O THR 6 494 " (cutoff:3.500A) removed outlier: 5.443A pdb=" N ASN 6 499 " --> pdb=" O LEU 6 495 " (cutoff:3.500A) No H-bonds generated for 'chain '6' and resid 494 through 499' Processing helix chain '6' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL 6 560 " --> pdb=" O ASP 6 556 " (cutoff:3.500A) removed outlier: 5.429A pdb=" N MET 6 561 " --> pdb=" O TYR 6 557 " (cutoff:3.500A) No H-bonds generated for 'chain '6' and resid 556 through 561' Processing helix chain '6' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR 6 570 " --> pdb=" O GLU 6 567 " (cutoff:3.500A) Processing helix chain '7' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS 7 293 " --> pdb=" O ARG 7 289 " (cutoff:3.500A) Processing helix chain '7' and resid 295 through 305 Processing helix chain '7' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN 7 476 " --> pdb=" O ASN 7 472 " (cutoff:3.500A) removed outlier: 5.961A pdb=" N ALA 7 477 " --> pdb=" O MET 7 473 " (cutoff:3.500A) No H-bonds generated for 'chain '7' and resid 472 through 477' Processing helix chain '7' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN 7 498 " --> pdb=" O THR 7 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN 7 499 " --> pdb=" O LEU 7 495 " (cutoff:3.500A) No H-bonds generated for 'chain '7' and resid 494 through 499' Processing helix chain '7' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL 7 560 " --> pdb=" O ASP 7 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET 7 561 " --> pdb=" O TYR 7 557 " (cutoff:3.500A) No H-bonds generated for 'chain '7' and resid 556 through 561' Processing helix chain '7' and resid 566 through 571 removed outlier: 4.141A pdb=" N THR 7 570 " --> pdb=" O GLU 7 567 " (cutoff:3.500A) Processing helix chain '8' and resid 289 through 294 removed outlier: 4.205A pdb=" N HIS 8 293 " --> pdb=" O ARG 8 289 " (cutoff:3.500A) Processing helix chain '8' and resid 295 through 305 Processing helix chain '8' and resid 472 through 477 removed outlier: 4.399A pdb=" N GLN 8 476 " --> pdb=" O ASN 8 472 " (cutoff:3.500A) removed outlier: 5.960A pdb=" N ALA 8 477 " --> pdb=" O MET 8 473 " (cutoff:3.500A) No H-bonds generated for 'chain '8' and resid 472 through 477' Processing helix chain '8' and resid 494 through 499 removed outlier: 3.909A pdb=" N ASN 8 498 " --> pdb=" O THR 8 494 " (cutoff:3.500A) removed outlier: 5.442A pdb=" N ASN 8 499 " --> pdb=" O LEU 8 495 " (cutoff:3.500A) No H-bonds generated for 'chain '8' and resid 494 through 499' Processing helix chain '8' and resid 556 through 561 removed outlier: 3.933A pdb=" N VAL 8 560 " --> pdb=" O ASP 8 556 " (cutoff:3.500A) removed outlier: 5.428A pdb=" N MET 8 561 " --> pdb=" O TYR 8 557 " (cutoff:3.500A) No H-bonds generated for 'chain '8' and resid 556 through 561' Processing helix chain '8' and resid 566 through 571 removed outlier: 4.140A pdb=" N THR 8 570 " --> pdb=" O GLU 8 567 " (cutoff:3.500A) Processing sheet with id= 1, first strand: chain 'A' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS A 230 " --> pdb=" O THR A 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP A 232 " --> pdb=" O THR A 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR A 378 " --> pdb=" O THR A 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE A 276 " --> pdb=" O THR A 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU A 257 " --> pdb=" O PRO A 281 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'A' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE A 649 " --> pdb=" O PHE A 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR A 654 " --> pdb=" O THR A 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR A 342 " --> pdb=" O THR A 654 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain 'A' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL A 323 " --> pdb=" O ASN A 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN A 320 " --> pdb=" O GLN A 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN A 680 " --> pdb=" O ASN A 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR A 674 " --> pdb=" O VAL A 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU A 686 " --> pdb=" O LYS A 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY A 308 " --> pdb=" O GLN A 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP A 307 " --> pdb=" O SER A 426 " (cutoff:3.500A) Processing sheet with id= 4, first strand: chain 'A' and resid 411 through 417 Processing sheet with id= 5, first strand: chain 'A' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR A 509 " --> pdb=" O VAL A 520 " (cutoff:3.500A) Processing sheet with id= 6, first strand: chain 'A' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN A 489 " --> pdb=" O SER A 539 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'A' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY A 580 " --> pdb=" O VAL A 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE A 594 " --> pdb=" O ASP A 584 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'A' and resid 621 through 624 No H-bonds generated for sheet with id= 8 Processing sheet with id= 9, first strand: chain 'A' and resid 239 through 251 Processing sheet with id= 10, first strand: chain 'A' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG A 313 " --> pdb=" O GLU A 686 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'B' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS B 230 " --> pdb=" O THR B 245 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N ASP B 232 " --> pdb=" O THR B 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR B 378 " --> pdb=" O THR B 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE B 276 " --> pdb=" O THR B 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU B 257 " --> pdb=" O PRO B 281 " (cutoff:3.500A) Processing sheet with id= 12, first strand: chain 'B' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE B 649 " --> pdb=" O PHE B 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR B 654 " --> pdb=" O THR B 342 " (cutoff:3.500A) removed outlier: 5.461A pdb=" N THR B 342 " --> pdb=" O THR B 654 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'B' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL B 323 " --> pdb=" O ASN B 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN B 320 " --> pdb=" O GLN B 680 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N GLN B 680 " --> pdb=" O ASN B 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR B 674 " --> pdb=" O VAL B 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU B 686 " --> pdb=" O LYS B 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY B 308 " --> pdb=" O GLN B 690 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N TRP B 307 " --> pdb=" O SER B 426 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'B' and resid 411 through 417 Processing sheet with id= 15, first strand: chain 'B' and resid 509 through 513 removed outlier: 6.160A pdb=" N THR B 509 " --> pdb=" O VAL B 520 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'B' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN B 489 " --> pdb=" O SER B 539 " (cutoff:3.500A) Processing sheet with id= 17, first strand: chain 'B' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY B 580 " --> pdb=" O VAL B 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE B 594 " --> pdb=" O ASP B 584 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain 'B' and resid 621 through 624 No H-bonds generated for sheet with id= 18 Processing sheet with id= 19, first strand: chain 'B' and resid 239 through 251 Processing sheet with id= 20, first strand: chain 'B' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG B 313 " --> pdb=" O GLU B 686 " (cutoff:3.500A) Processing sheet with id= 21, first strand: chain 'C' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS C 230 " --> pdb=" O THR C 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP C 232 " --> pdb=" O THR C 243 " (cutoff:3.500A) removed outlier: 4.855A pdb=" N TYR C 378 " --> pdb=" O THR C 280 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N PHE C 276 " --> pdb=" O THR C 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU C 257 " --> pdb=" O PRO C 281 " (cutoff:3.500A) Processing sheet with id= 22, first strand: chain 'C' and resid 282 through 285 removed outlier: 4.745A pdb=" N ILE C 649 " --> pdb=" O PHE C 285 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N THR C 654 " --> pdb=" O THR C 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR C 342 " --> pdb=" O THR C 654 " (cutoff:3.500A) Processing sheet with id= 23, first strand: chain 'C' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL C 323 " --> pdb=" O ASN C 338 " (cutoff:3.500A) removed outlier: 5.309A pdb=" N ASN C 320 " --> pdb=" O GLN C 680 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N GLN C 680 " --> pdb=" O ASN C 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR C 674 " --> pdb=" O VAL C 326 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N GLU C 686 " --> pdb=" O LYS C 312 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N GLY C 308 " --> pdb=" O GLN C 690 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N TRP C 307 " --> pdb=" O SER C 426 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'C' and resid 411 through 417 Processing sheet with id= 25, first strand: chain 'C' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR C 509 " --> pdb=" O VAL C 520 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'C' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN C 489 " --> pdb=" O SER C 539 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'C' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY C 580 " --> pdb=" O VAL C 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE C 594 " --> pdb=" O ASP C 584 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 'C' and resid 621 through 624 No H-bonds generated for sheet with id= 28 Processing sheet with id= 29, first strand: chain 'C' and resid 239 through 251 Processing sheet with id= 30, first strand: chain 'C' and resid 313 through 319 removed outlier: 3.511A pdb=" N ARG C 313 " --> pdb=" O GLU C 686 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'D' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS D 230 " --> pdb=" O THR D 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP D 232 " --> pdb=" O THR D 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR D 378 " --> pdb=" O THR D 280 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N PHE D 276 " --> pdb=" O THR D 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU D 257 " --> pdb=" O PRO D 281 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain 'D' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE D 649 " --> pdb=" O PHE D 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR D 654 " --> pdb=" O THR D 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR D 342 " --> pdb=" O THR D 654 " (cutoff:3.500A) Processing sheet with id= 33, first strand: chain 'D' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL D 323 " --> pdb=" O ASN D 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN D 320 " --> pdb=" O GLN D 680 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N GLN D 680 " --> pdb=" O ASN D 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR D 674 " --> pdb=" O VAL D 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU D 686 " --> pdb=" O LYS D 312 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLY D 308 " --> pdb=" O GLN D 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP D 307 " --> pdb=" O SER D 426 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain 'D' and resid 411 through 417 Processing sheet with id= 35, first strand: chain 'D' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR D 509 " --> pdb=" O VAL D 520 " (cutoff:3.500A) Processing sheet with id= 36, first strand: chain 'D' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN D 489 " --> pdb=" O SER D 539 " (cutoff:3.500A) Processing sheet with id= 37, first strand: chain 'D' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY D 580 " --> pdb=" O VAL D 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE D 594 " --> pdb=" O ASP D 584 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'D' and resid 621 through 624 No H-bonds generated for sheet with id= 38 Processing sheet with id= 39, first strand: chain 'D' and resid 239 through 251 Processing sheet with id= 40, first strand: chain 'D' and resid 313 through 319 removed outlier: 3.509A pdb=" N ARG D 313 " --> pdb=" O GLU D 686 " (cutoff:3.500A) Processing sheet with id= 41, first strand: chain 'E' and resid 230 through 235 removed outlier: 6.584A pdb=" N HIS E 230 " --> pdb=" O THR E 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP E 232 " --> pdb=" O THR E 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR E 378 " --> pdb=" O THR E 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE E 276 " --> pdb=" O THR E 382 " (cutoff:3.500A) removed outlier: 7.191A pdb=" N LEU E 257 " --> pdb=" O PRO E 281 " (cutoff:3.500A) Processing sheet with id= 42, first strand: chain 'E' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE E 649 " --> pdb=" O PHE E 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR E 654 " --> pdb=" O THR E 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR E 342 " --> pdb=" O THR E 654 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'E' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL E 323 " --> pdb=" O ASN E 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN E 320 " --> pdb=" O GLN E 680 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N GLN E 680 " --> pdb=" O ASN E 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR E 674 " --> pdb=" O VAL E 326 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N GLU E 686 " --> pdb=" O LYS E 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY E 308 " --> pdb=" O GLN E 690 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N TRP E 307 " --> pdb=" O SER E 426 " (cutoff:3.500A) Processing sheet with id= 44, first strand: chain 'E' and resid 411 through 417 Processing sheet with id= 45, first strand: chain 'E' and resid 509 through 513 removed outlier: 6.160A pdb=" N THR E 509 " --> pdb=" O VAL E 520 " (cutoff:3.500A) Processing sheet with id= 46, first strand: chain 'E' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN E 489 " --> pdb=" O SER E 539 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'E' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY E 580 " --> pdb=" O VAL E 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE E 594 " --> pdb=" O ASP E 584 " (cutoff:3.500A) Processing sheet with id= 48, first strand: chain 'E' and resid 621 through 624 No H-bonds generated for sheet with id= 48 Processing sheet with id= 49, first strand: chain 'E' and resid 239 through 251 Processing sheet with id= 50, first strand: chain 'E' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG E 313 " --> pdb=" O GLU E 686 " (cutoff:3.500A) Processing sheet with id= 51, first strand: chain 'F' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS F 230 " --> pdb=" O THR F 245 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N ASP F 232 " --> pdb=" O THR F 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR F 378 " --> pdb=" O THR F 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE F 276 " --> pdb=" O THR F 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU F 257 " --> pdb=" O PRO F 281 " (cutoff:3.500A) Processing sheet with id= 52, first strand: chain 'F' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE F 649 " --> pdb=" O PHE F 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR F 654 " --> pdb=" O THR F 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR F 342 " --> pdb=" O THR F 654 " (cutoff:3.500A) Processing sheet with id= 53, first strand: chain 'F' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL F 323 " --> pdb=" O ASN F 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN F 320 " --> pdb=" O GLN F 680 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N GLN F 680 " --> pdb=" O ASN F 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR F 674 " --> pdb=" O VAL F 326 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N GLU F 686 " --> pdb=" O LYS F 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY F 308 " --> pdb=" O GLN F 690 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N TRP F 307 " --> pdb=" O SER F 426 " (cutoff:3.500A) Processing sheet with id= 54, first strand: chain 'F' and resid 411 through 417 Processing sheet with id= 55, first strand: chain 'F' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR F 509 " --> pdb=" O VAL F 520 " (cutoff:3.500A) Processing sheet with id= 56, first strand: chain 'F' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN F 489 " --> pdb=" O SER F 539 " (cutoff:3.500A) Processing sheet with id= 57, first strand: chain 'F' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY F 580 " --> pdb=" O VAL F 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE F 594 " --> pdb=" O ASP F 584 " (cutoff:3.500A) Processing sheet with id= 58, first strand: chain 'F' and resid 621 through 624 No H-bonds generated for sheet with id= 58 Processing sheet with id= 59, first strand: chain 'F' and resid 239 through 251 Processing sheet with id= 60, first strand: chain 'F' and resid 313 through 319 removed outlier: 3.511A pdb=" N ARG F 313 " --> pdb=" O GLU F 686 " (cutoff:3.500A) Processing sheet with id= 61, first strand: chain 'G' and resid 230 through 235 removed outlier: 6.584A pdb=" N HIS G 230 " --> pdb=" O THR G 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP G 232 " --> pdb=" O THR G 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR G 378 " --> pdb=" O THR G 280 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N PHE G 276 " --> pdb=" O THR G 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU G 257 " --> pdb=" O PRO G 281 " (cutoff:3.500A) Processing sheet with id= 62, first strand: chain 'G' and resid 282 through 285 removed outlier: 4.745A pdb=" N ILE G 649 " --> pdb=" O PHE G 285 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N THR G 654 " --> pdb=" O THR G 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR G 342 " --> pdb=" O THR G 654 " (cutoff:3.500A) Processing sheet with id= 63, first strand: chain 'G' and resid 332 through 338 removed outlier: 4.758A pdb=" N VAL G 323 " --> pdb=" O ASN G 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN G 320 " --> pdb=" O GLN G 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN G 680 " --> pdb=" O ASN G 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR G 674 " --> pdb=" O VAL G 326 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N GLU G 686 " --> pdb=" O LYS G 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY G 308 " --> pdb=" O GLN G 690 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N TRP G 307 " --> pdb=" O SER G 426 " (cutoff:3.500A) Processing sheet with id= 64, first strand: chain 'G' and resid 411 through 417 Processing sheet with id= 65, first strand: chain 'G' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR G 509 " --> pdb=" O VAL G 520 " (cutoff:3.500A) Processing sheet with id= 66, first strand: chain 'G' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN G 489 " --> pdb=" O SER G 539 " (cutoff:3.500A) Processing sheet with id= 67, first strand: chain 'G' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY G 580 " --> pdb=" O VAL G 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE G 594 " --> pdb=" O ASP G 584 " (cutoff:3.500A) Processing sheet with id= 68, first strand: chain 'G' and resid 621 through 624 No H-bonds generated for sheet with id= 68 Processing sheet with id= 69, first strand: chain 'G' and resid 239 through 251 Processing sheet with id= 70, first strand: chain 'G' and resid 313 through 319 removed outlier: 3.511A pdb=" N ARG G 313 " --> pdb=" O GLU G 686 " (cutoff:3.500A) Processing sheet with id= 71, first strand: chain 'H' and resid 230 through 235 removed outlier: 6.584A pdb=" N HIS H 230 " --> pdb=" O THR H 245 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N ASP H 232 " --> pdb=" O THR H 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR H 378 " --> pdb=" O THR H 280 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N PHE H 276 " --> pdb=" O THR H 382 " (cutoff:3.500A) removed outlier: 7.191A pdb=" N LEU H 257 " --> pdb=" O PRO H 281 " (cutoff:3.500A) Processing sheet with id= 72, first strand: chain 'H' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE H 649 " --> pdb=" O PHE H 285 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N THR H 654 " --> pdb=" O THR H 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR H 342 " --> pdb=" O THR H 654 " (cutoff:3.500A) Processing sheet with id= 73, first strand: chain 'H' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL H 323 " --> pdb=" O ASN H 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN H 320 " --> pdb=" O GLN H 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN H 680 " --> pdb=" O ASN H 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR H 674 " --> pdb=" O VAL H 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU H 686 " --> pdb=" O LYS H 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY H 308 " --> pdb=" O GLN H 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP H 307 " --> pdb=" O SER H 426 " (cutoff:3.500A) Processing sheet with id= 74, first strand: chain 'H' and resid 411 through 417 Processing sheet with id= 75, first strand: chain 'H' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR H 509 " --> pdb=" O VAL H 520 " (cutoff:3.500A) Processing sheet with id= 76, first strand: chain 'H' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN H 489 " --> pdb=" O SER H 539 " (cutoff:3.500A) Processing sheet with id= 77, first strand: chain 'H' and resid 580 through 584 removed outlier: 3.791A pdb=" N GLY H 580 " --> pdb=" O VAL H 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE H 594 " --> pdb=" O ASP H 584 " (cutoff:3.500A) Processing sheet with id= 78, first strand: chain 'H' and resid 621 through 624 No H-bonds generated for sheet with id= 78 Processing sheet with id= 79, first strand: chain 'H' and resid 239 through 251 Processing sheet with id= 80, first strand: chain 'H' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG H 313 " --> pdb=" O GLU H 686 " (cutoff:3.500A) Processing sheet with id= 81, first strand: chain 'I' and resid 230 through 235 removed outlier: 6.584A pdb=" N HIS I 230 " --> pdb=" O THR I 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP I 232 " --> pdb=" O THR I 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR I 378 " --> pdb=" O THR I 280 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N PHE I 276 " --> pdb=" O THR I 382 " (cutoff:3.500A) removed outlier: 7.191A pdb=" N LEU I 257 " --> pdb=" O PRO I 281 " (cutoff:3.500A) Processing sheet with id= 82, first strand: chain 'I' and resid 282 through 285 removed outlier: 4.745A pdb=" N ILE I 649 " --> pdb=" O PHE I 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR I 654 " --> pdb=" O THR I 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR I 342 " --> pdb=" O THR I 654 " (cutoff:3.500A) Processing sheet with id= 83, first strand: chain 'I' and resid 332 through 338 removed outlier: 4.758A pdb=" N VAL I 323 " --> pdb=" O ASN I 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN I 320 " --> pdb=" O GLN I 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN I 680 " --> pdb=" O ASN I 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR I 674 " --> pdb=" O VAL I 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU I 686 " --> pdb=" O LYS I 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY I 308 " --> pdb=" O GLN I 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP I 307 " --> pdb=" O SER I 426 " (cutoff:3.500A) Processing sheet with id= 84, first strand: chain 'I' and resid 411 through 417 Processing sheet with id= 85, first strand: chain 'I' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR I 509 " --> pdb=" O VAL I 520 " (cutoff:3.500A) Processing sheet with id= 86, first strand: chain 'I' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN I 489 " --> pdb=" O SER I 539 " (cutoff:3.500A) Processing sheet with id= 87, first strand: chain 'I' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY I 580 " --> pdb=" O VAL I 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE I 594 " --> pdb=" O ASP I 584 " (cutoff:3.500A) Processing sheet with id= 88, first strand: chain 'I' and resid 621 through 624 No H-bonds generated for sheet with id= 88 Processing sheet with id= 89, first strand: chain 'I' and resid 239 through 251 Processing sheet with id= 90, first strand: chain 'I' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG I 313 " --> pdb=" O GLU I 686 " (cutoff:3.500A) Processing sheet with id= 91, first strand: chain 'J' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS J 230 " --> pdb=" O THR J 245 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N ASP J 232 " --> pdb=" O THR J 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR J 378 " --> pdb=" O THR J 280 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N PHE J 276 " --> pdb=" O THR J 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU J 257 " --> pdb=" O PRO J 281 " (cutoff:3.500A) Processing sheet with id= 92, first strand: chain 'J' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE J 649 " --> pdb=" O PHE J 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR J 654 " --> pdb=" O THR J 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR J 342 " --> pdb=" O THR J 654 " (cutoff:3.500A) Processing sheet with id= 93, first strand: chain 'J' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL J 323 " --> pdb=" O ASN J 338 " (cutoff:3.500A) removed outlier: 5.307A pdb=" N ASN J 320 " --> pdb=" O GLN J 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN J 680 " --> pdb=" O ASN J 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR J 674 " --> pdb=" O VAL J 326 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N GLU J 686 " --> pdb=" O LYS J 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY J 308 " --> pdb=" O GLN J 690 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N TRP J 307 " --> pdb=" O SER J 426 " (cutoff:3.500A) Processing sheet with id= 94, first strand: chain 'J' and resid 411 through 417 Processing sheet with id= 95, first strand: chain 'J' and resid 509 through 513 removed outlier: 6.160A pdb=" N THR J 509 " --> pdb=" O VAL J 520 " (cutoff:3.500A) Processing sheet with id= 96, first strand: chain 'J' and resid 536 through 539 removed outlier: 7.248A pdb=" N GLN J 489 " --> pdb=" O SER J 539 " (cutoff:3.500A) Processing sheet with id= 97, first strand: chain 'J' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY J 580 " --> pdb=" O VAL J 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE J 594 " --> pdb=" O ASP J 584 " (cutoff:3.500A) Processing sheet with id= 98, first strand: chain 'J' and resid 621 through 624 No H-bonds generated for sheet with id= 98 Processing sheet with id= 99, first strand: chain 'J' and resid 239 through 251 Processing sheet with id=100, first strand: chain 'J' and resid 313 through 319 removed outlier: 3.511A pdb=" N ARG J 313 " --> pdb=" O GLU J 686 " (cutoff:3.500A) Processing sheet with id=101, first strand: chain 'K' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS K 230 " --> pdb=" O THR K 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP K 232 " --> pdb=" O THR K 243 " (cutoff:3.500A) removed outlier: 4.855A pdb=" N TYR K 378 " --> pdb=" O THR K 280 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N PHE K 276 " --> pdb=" O THR K 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU K 257 " --> pdb=" O PRO K 281 " (cutoff:3.500A) Processing sheet with id=102, first strand: chain 'K' and resid 282 through 285 removed outlier: 4.745A pdb=" N ILE K 649 " --> pdb=" O PHE K 285 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N THR K 654 " --> pdb=" O THR K 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR K 342 " --> pdb=" O THR K 654 " (cutoff:3.500A) Processing sheet with id=103, first strand: chain 'K' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL K 323 " --> pdb=" O ASN K 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN K 320 " --> pdb=" O GLN K 680 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N GLN K 680 " --> pdb=" O ASN K 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR K 674 " --> pdb=" O VAL K 326 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N GLU K 686 " --> pdb=" O LYS K 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY K 308 " --> pdb=" O GLN K 690 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N TRP K 307 " --> pdb=" O SER K 426 " (cutoff:3.500A) Processing sheet with id=104, first strand: chain 'K' and resid 411 through 417 Processing sheet with id=105, first strand: chain 'K' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR K 509 " --> pdb=" O VAL K 520 " (cutoff:3.500A) Processing sheet with id=106, first strand: chain 'K' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN K 489 " --> pdb=" O SER K 539 " (cutoff:3.500A) Processing sheet with id=107, first strand: chain 'K' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY K 580 " --> pdb=" O VAL K 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE K 594 " --> pdb=" O ASP K 584 " (cutoff:3.500A) Processing sheet with id=108, first strand: chain 'K' and resid 621 through 624 No H-bonds generated for sheet with id=108 Processing sheet with id=109, first strand: chain 'K' and resid 239 through 251 Processing sheet with id=110, first strand: chain 'K' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG K 313 " --> pdb=" O GLU K 686 " (cutoff:3.500A) Processing sheet with id=111, first strand: chain 'L' and resid 230 through 235 removed outlier: 6.584A pdb=" N HIS L 230 " --> pdb=" O THR L 245 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N ASP L 232 " --> pdb=" O THR L 243 " (cutoff:3.500A) removed outlier: 4.855A pdb=" N TYR L 378 " --> pdb=" O THR L 280 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N PHE L 276 " --> pdb=" O THR L 382 " (cutoff:3.500A) removed outlier: 7.191A pdb=" N LEU L 257 " --> pdb=" O PRO L 281 " (cutoff:3.500A) Processing sheet with id=112, first strand: chain 'L' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE L 649 " --> pdb=" O PHE L 285 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N THR L 654 " --> pdb=" O THR L 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR L 342 " --> pdb=" O THR L 654 " (cutoff:3.500A) Processing sheet with id=113, first strand: chain 'L' and resid 332 through 338 removed outlier: 4.758A pdb=" N VAL L 323 " --> pdb=" O ASN L 338 " (cutoff:3.500A) removed outlier: 5.309A pdb=" N ASN L 320 " --> pdb=" O GLN L 680 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N GLN L 680 " --> pdb=" O ASN L 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR L 674 " --> pdb=" O VAL L 326 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N GLU L 686 " --> pdb=" O LYS L 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY L 308 " --> pdb=" O GLN L 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP L 307 " --> pdb=" O SER L 426 " (cutoff:3.500A) Processing sheet with id=114, first strand: chain 'L' and resid 411 through 417 Processing sheet with id=115, first strand: chain 'L' and resid 509 through 513 removed outlier: 6.160A pdb=" N THR L 509 " --> pdb=" O VAL L 520 " (cutoff:3.500A) Processing sheet with id=116, first strand: chain 'L' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN L 489 " --> pdb=" O SER L 539 " (cutoff:3.500A) Processing sheet with id=117, first strand: chain 'L' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY L 580 " --> pdb=" O VAL L 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE L 594 " --> pdb=" O ASP L 584 " (cutoff:3.500A) Processing sheet with id=118, first strand: chain 'L' and resid 621 through 624 No H-bonds generated for sheet with id=118 Processing sheet with id=119, first strand: chain 'L' and resid 239 through 251 Processing sheet with id=120, first strand: chain 'L' and resid 313 through 319 removed outlier: 3.511A pdb=" N ARG L 313 " --> pdb=" O GLU L 686 " (cutoff:3.500A) Processing sheet with id=121, first strand: chain 'M' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS M 230 " --> pdb=" O THR M 245 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N ASP M 232 " --> pdb=" O THR M 243 " (cutoff:3.500A) removed outlier: 4.853A pdb=" N TYR M 378 " --> pdb=" O THR M 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE M 276 " --> pdb=" O THR M 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU M 257 " --> pdb=" O PRO M 281 " (cutoff:3.500A) Processing sheet with id=122, first strand: chain 'M' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE M 649 " --> pdb=" O PHE M 285 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N THR M 654 " --> pdb=" O THR M 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR M 342 " --> pdb=" O THR M 654 " (cutoff:3.500A) Processing sheet with id=123, first strand: chain 'M' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL M 323 " --> pdb=" O ASN M 338 " (cutoff:3.500A) removed outlier: 5.307A pdb=" N ASN M 320 " --> pdb=" O GLN M 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN M 680 " --> pdb=" O ASN M 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR M 674 " --> pdb=" O VAL M 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU M 686 " --> pdb=" O LYS M 312 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLY M 308 " --> pdb=" O GLN M 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP M 307 " --> pdb=" O SER M 426 " (cutoff:3.500A) Processing sheet with id=124, first strand: chain 'M' and resid 411 through 417 Processing sheet with id=125, first strand: chain 'M' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR M 509 " --> pdb=" O VAL M 520 " (cutoff:3.500A) Processing sheet with id=126, first strand: chain 'M' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN M 489 " --> pdb=" O SER M 539 " (cutoff:3.500A) Processing sheet with id=127, first strand: chain 'M' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY M 580 " --> pdb=" O VAL M 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE M 594 " --> pdb=" O ASP M 584 " (cutoff:3.500A) Processing sheet with id=128, first strand: chain 'M' and resid 621 through 624 No H-bonds generated for sheet with id=128 Processing sheet with id=129, first strand: chain 'M' and resid 239 through 251 Processing sheet with id=130, first strand: chain 'M' and resid 313 through 319 removed outlier: 3.511A pdb=" N ARG M 313 " --> pdb=" O GLU M 686 " (cutoff:3.500A) Processing sheet with id=131, first strand: chain 'N' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS N 230 " --> pdb=" O THR N 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP N 232 " --> pdb=" O THR N 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR N 378 " --> pdb=" O THR N 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE N 276 " --> pdb=" O THR N 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU N 257 " --> pdb=" O PRO N 281 " (cutoff:3.500A) Processing sheet with id=132, first strand: chain 'N' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE N 649 " --> pdb=" O PHE N 285 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N THR N 654 " --> pdb=" O THR N 342 " (cutoff:3.500A) removed outlier: 5.461A pdb=" N THR N 342 " --> pdb=" O THR N 654 " (cutoff:3.500A) Processing sheet with id=133, first strand: chain 'N' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL N 323 " --> pdb=" O ASN N 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN N 320 " --> pdb=" O GLN N 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN N 680 " --> pdb=" O ASN N 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR N 674 " --> pdb=" O VAL N 326 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N GLU N 686 " --> pdb=" O LYS N 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY N 308 " --> pdb=" O GLN N 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP N 307 " --> pdb=" O SER N 426 " (cutoff:3.500A) Processing sheet with id=134, first strand: chain 'N' and resid 411 through 417 Processing sheet with id=135, first strand: chain 'N' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR N 509 " --> pdb=" O VAL N 520 " (cutoff:3.500A) Processing sheet with id=136, first strand: chain 'N' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN N 489 " --> pdb=" O SER N 539 " (cutoff:3.500A) Processing sheet with id=137, first strand: chain 'N' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY N 580 " --> pdb=" O VAL N 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE N 594 " --> pdb=" O ASP N 584 " (cutoff:3.500A) Processing sheet with id=138, first strand: chain 'N' and resid 621 through 624 No H-bonds generated for sheet with id=138 Processing sheet with id=139, first strand: chain 'N' and resid 239 through 251 Processing sheet with id=140, first strand: chain 'N' and resid 313 through 319 removed outlier: 3.511A pdb=" N ARG N 313 " --> pdb=" O GLU N 686 " (cutoff:3.500A) Processing sheet with id=141, first strand: chain 'O' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS O 230 " --> pdb=" O THR O 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP O 232 " --> pdb=" O THR O 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR O 378 " --> pdb=" O THR O 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE O 276 " --> pdb=" O THR O 382 " (cutoff:3.500A) removed outlier: 7.191A pdb=" N LEU O 257 " --> pdb=" O PRO O 281 " (cutoff:3.500A) Processing sheet with id=142, first strand: chain 'O' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE O 649 " --> pdb=" O PHE O 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR O 654 " --> pdb=" O THR O 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR O 342 " --> pdb=" O THR O 654 " (cutoff:3.500A) Processing sheet with id=143, first strand: chain 'O' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL O 323 " --> pdb=" O ASN O 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN O 320 " --> pdb=" O GLN O 680 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N GLN O 680 " --> pdb=" O ASN O 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR O 674 " --> pdb=" O VAL O 326 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N GLU O 686 " --> pdb=" O LYS O 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY O 308 " --> pdb=" O GLN O 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP O 307 " --> pdb=" O SER O 426 " (cutoff:3.500A) Processing sheet with id=144, first strand: chain 'O' and resid 411 through 417 Processing sheet with id=145, first strand: chain 'O' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR O 509 " --> pdb=" O VAL O 520 " (cutoff:3.500A) Processing sheet with id=146, first strand: chain 'O' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN O 489 " --> pdb=" O SER O 539 " (cutoff:3.500A) Processing sheet with id=147, first strand: chain 'O' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY O 580 " --> pdb=" O VAL O 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE O 594 " --> pdb=" O ASP O 584 " (cutoff:3.500A) Processing sheet with id=148, first strand: chain 'O' and resid 621 through 624 No H-bonds generated for sheet with id=148 Processing sheet with id=149, first strand: chain 'O' and resid 239 through 251 Processing sheet with id=150, first strand: chain 'O' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG O 313 " --> pdb=" O GLU O 686 " (cutoff:3.500A) Processing sheet with id=151, first strand: chain 'P' and resid 230 through 235 removed outlier: 6.584A pdb=" N HIS P 230 " --> pdb=" O THR P 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP P 232 " --> pdb=" O THR P 243 " (cutoff:3.500A) removed outlier: 4.855A pdb=" N TYR P 378 " --> pdb=" O THR P 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE P 276 " --> pdb=" O THR P 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU P 257 " --> pdb=" O PRO P 281 " (cutoff:3.500A) Processing sheet with id=152, first strand: chain 'P' and resid 282 through 285 removed outlier: 4.745A pdb=" N ILE P 649 " --> pdb=" O PHE P 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR P 654 " --> pdb=" O THR P 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR P 342 " --> pdb=" O THR P 654 " (cutoff:3.500A) Processing sheet with id=153, first strand: chain 'P' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL P 323 " --> pdb=" O ASN P 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN P 320 " --> pdb=" O GLN P 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN P 680 " --> pdb=" O ASN P 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR P 674 " --> pdb=" O VAL P 326 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N GLU P 686 " --> pdb=" O LYS P 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY P 308 " --> pdb=" O GLN P 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP P 307 " --> pdb=" O SER P 426 " (cutoff:3.500A) Processing sheet with id=154, first strand: chain 'P' and resid 411 through 417 Processing sheet with id=155, first strand: chain 'P' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR P 509 " --> pdb=" O VAL P 520 " (cutoff:3.500A) Processing sheet with id=156, first strand: chain 'P' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN P 489 " --> pdb=" O SER P 539 " (cutoff:3.500A) Processing sheet with id=157, first strand: chain 'P' and resid 580 through 584 removed outlier: 3.791A pdb=" N GLY P 580 " --> pdb=" O VAL P 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE P 594 " --> pdb=" O ASP P 584 " (cutoff:3.500A) Processing sheet with id=158, first strand: chain 'P' and resid 621 through 624 No H-bonds generated for sheet with id=158 Processing sheet with id=159, first strand: chain 'P' and resid 239 through 251 Processing sheet with id=160, first strand: chain 'P' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG P 313 " --> pdb=" O GLU P 686 " (cutoff:3.500A) Processing sheet with id=161, first strand: chain 'Q' and resid 230 through 235 removed outlier: 6.582A pdb=" N HIS Q 230 " --> pdb=" O THR Q 245 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N ASP Q 232 " --> pdb=" O THR Q 243 " (cutoff:3.500A) removed outlier: 4.853A pdb=" N TYR Q 378 " --> pdb=" O THR Q 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE Q 276 " --> pdb=" O THR Q 382 " (cutoff:3.500A) removed outlier: 7.191A pdb=" N LEU Q 257 " --> pdb=" O PRO Q 281 " (cutoff:3.500A) Processing sheet with id=162, first strand: chain 'Q' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE Q 649 " --> pdb=" O PHE Q 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR Q 654 " --> pdb=" O THR Q 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR Q 342 " --> pdb=" O THR Q 654 " (cutoff:3.500A) Processing sheet with id=163, first strand: chain 'Q' and resid 332 through 338 removed outlier: 4.758A pdb=" N VAL Q 323 " --> pdb=" O ASN Q 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN Q 320 " --> pdb=" O GLN Q 680 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N GLN Q 680 " --> pdb=" O ASN Q 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR Q 674 " --> pdb=" O VAL Q 326 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N GLU Q 686 " --> pdb=" O LYS Q 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY Q 308 " --> pdb=" O GLN Q 690 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N TRP Q 307 " --> pdb=" O SER Q 426 " (cutoff:3.500A) Processing sheet with id=164, first strand: chain 'Q' and resid 411 through 417 Processing sheet with id=165, first strand: chain 'Q' and resid 509 through 513 removed outlier: 6.160A pdb=" N THR Q 509 " --> pdb=" O VAL Q 520 " (cutoff:3.500A) Processing sheet with id=166, first strand: chain 'Q' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN Q 489 " --> pdb=" O SER Q 539 " (cutoff:3.500A) Processing sheet with id=167, first strand: chain 'Q' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY Q 580 " --> pdb=" O VAL Q 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE Q 594 " --> pdb=" O ASP Q 584 " (cutoff:3.500A) Processing sheet with id=168, first strand: chain 'Q' and resid 621 through 624 No H-bonds generated for sheet with id=168 Processing sheet with id=169, first strand: chain 'Q' and resid 239 through 251 Processing sheet with id=170, first strand: chain 'Q' and resid 313 through 319 removed outlier: 3.511A pdb=" N ARG Q 313 " --> pdb=" O GLU Q 686 " (cutoff:3.500A) Processing sheet with id=171, first strand: chain 'R' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS R 230 " --> pdb=" O THR R 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP R 232 " --> pdb=" O THR R 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR R 378 " --> pdb=" O THR R 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE R 276 " --> pdb=" O THR R 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU R 257 " --> pdb=" O PRO R 281 " (cutoff:3.500A) Processing sheet with id=172, first strand: chain 'R' and resid 282 through 285 removed outlier: 4.745A pdb=" N ILE R 649 " --> pdb=" O PHE R 285 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N THR R 654 " --> pdb=" O THR R 342 " (cutoff:3.500A) removed outlier: 5.461A pdb=" N THR R 342 " --> pdb=" O THR R 654 " (cutoff:3.500A) Processing sheet with id=173, first strand: chain 'R' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL R 323 " --> pdb=" O ASN R 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN R 320 " --> pdb=" O GLN R 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN R 680 " --> pdb=" O ASN R 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR R 674 " --> pdb=" O VAL R 326 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N GLU R 686 " --> pdb=" O LYS R 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY R 308 " --> pdb=" O GLN R 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP R 307 " --> pdb=" O SER R 426 " (cutoff:3.500A) Processing sheet with id=174, first strand: chain 'R' and resid 411 through 417 Processing sheet with id=175, first strand: chain 'R' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR R 509 " --> pdb=" O VAL R 520 " (cutoff:3.500A) Processing sheet with id=176, first strand: chain 'R' and resid 536 through 539 removed outlier: 7.246A pdb=" N GLN R 489 " --> pdb=" O SER R 539 " (cutoff:3.500A) Processing sheet with id=177, first strand: chain 'R' and resid 580 through 584 removed outlier: 3.791A pdb=" N GLY R 580 " --> pdb=" O VAL R 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE R 594 " --> pdb=" O ASP R 584 " (cutoff:3.500A) Processing sheet with id=178, first strand: chain 'R' and resid 621 through 624 No H-bonds generated for sheet with id=178 Processing sheet with id=179, first strand: chain 'R' and resid 239 through 251 Processing sheet with id=180, first strand: chain 'R' and resid 313 through 319 removed outlier: 3.511A pdb=" N ARG R 313 " --> pdb=" O GLU R 686 " (cutoff:3.500A) Processing sheet with id=181, first strand: chain 'S' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS S 230 " --> pdb=" O THR S 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP S 232 " --> pdb=" O THR S 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR S 378 " --> pdb=" O THR S 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE S 276 " --> pdb=" O THR S 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU S 257 " --> pdb=" O PRO S 281 " (cutoff:3.500A) Processing sheet with id=182, first strand: chain 'S' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE S 649 " --> pdb=" O PHE S 285 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N THR S 654 " --> pdb=" O THR S 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR S 342 " --> pdb=" O THR S 654 " (cutoff:3.500A) Processing sheet with id=183, first strand: chain 'S' and resid 332 through 338 removed outlier: 4.758A pdb=" N VAL S 323 " --> pdb=" O ASN S 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN S 320 " --> pdb=" O GLN S 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN S 680 " --> pdb=" O ASN S 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR S 674 " --> pdb=" O VAL S 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU S 686 " --> pdb=" O LYS S 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY S 308 " --> pdb=" O GLN S 690 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N TRP S 307 " --> pdb=" O SER S 426 " (cutoff:3.500A) Processing sheet with id=184, first strand: chain 'S' and resid 411 through 417 Processing sheet with id=185, first strand: chain 'S' and resid 509 through 513 removed outlier: 6.158A pdb=" N THR S 509 " --> pdb=" O VAL S 520 " (cutoff:3.500A) Processing sheet with id=186, first strand: chain 'S' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN S 489 " --> pdb=" O SER S 539 " (cutoff:3.500A) Processing sheet with id=187, first strand: chain 'S' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY S 580 " --> pdb=" O VAL S 598 " (cutoff:3.500A) removed outlier: 6.584A pdb=" N ILE S 594 " --> pdb=" O ASP S 584 " (cutoff:3.500A) Processing sheet with id=188, first strand: chain 'S' and resid 621 through 624 No H-bonds generated for sheet with id=188 Processing sheet with id=189, first strand: chain 'S' and resid 239 through 251 Processing sheet with id=190, first strand: chain 'S' and resid 313 through 319 removed outlier: 3.509A pdb=" N ARG S 313 " --> pdb=" O GLU S 686 " (cutoff:3.500A) Processing sheet with id=191, first strand: chain 'T' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS T 230 " --> pdb=" O THR T 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP T 232 " --> pdb=" O THR T 243 " (cutoff:3.500A) removed outlier: 4.853A pdb=" N TYR T 378 " --> pdb=" O THR T 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE T 276 " --> pdb=" O THR T 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU T 257 " --> pdb=" O PRO T 281 " (cutoff:3.500A) Processing sheet with id=192, first strand: chain 'T' and resid 282 through 285 removed outlier: 4.745A pdb=" N ILE T 649 " --> pdb=" O PHE T 285 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N THR T 654 " --> pdb=" O THR T 342 " (cutoff:3.500A) removed outlier: 5.461A pdb=" N THR T 342 " --> pdb=" O THR T 654 " (cutoff:3.500A) Processing sheet with id=193, first strand: chain 'T' and resid 332 through 338 removed outlier: 4.758A pdb=" N VAL T 323 " --> pdb=" O ASN T 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN T 320 " --> pdb=" O GLN T 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN T 680 " --> pdb=" O ASN T 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR T 674 " --> pdb=" O VAL T 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU T 686 " --> pdb=" O LYS T 312 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLY T 308 " --> pdb=" O GLN T 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP T 307 " --> pdb=" O SER T 426 " (cutoff:3.500A) Processing sheet with id=194, first strand: chain 'T' and resid 411 through 417 Processing sheet with id=195, first strand: chain 'T' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR T 509 " --> pdb=" O VAL T 520 " (cutoff:3.500A) Processing sheet with id=196, first strand: chain 'T' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN T 489 " --> pdb=" O SER T 539 " (cutoff:3.500A) Processing sheet with id=197, first strand: chain 'T' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY T 580 " --> pdb=" O VAL T 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE T 594 " --> pdb=" O ASP T 584 " (cutoff:3.500A) Processing sheet with id=198, first strand: chain 'T' and resid 621 through 624 No H-bonds generated for sheet with id=198 Processing sheet with id=199, first strand: chain 'T' and resid 239 through 251 Processing sheet with id=200, first strand: chain 'T' and resid 313 through 319 removed outlier: 3.511A pdb=" N ARG T 313 " --> pdb=" O GLU T 686 " (cutoff:3.500A) Processing sheet with id=201, first strand: chain 'U' and resid 230 through 235 removed outlier: 6.584A pdb=" N HIS U 230 " --> pdb=" O THR U 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP U 232 " --> pdb=" O THR U 243 " (cutoff:3.500A) removed outlier: 4.855A pdb=" N TYR U 378 " --> pdb=" O THR U 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE U 276 " --> pdb=" O THR U 382 " (cutoff:3.500A) removed outlier: 7.191A pdb=" N LEU U 257 " --> pdb=" O PRO U 281 " (cutoff:3.500A) Processing sheet with id=202, first strand: chain 'U' and resid 282 through 285 removed outlier: 4.745A pdb=" N ILE U 649 " --> pdb=" O PHE U 285 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N THR U 654 " --> pdb=" O THR U 342 " (cutoff:3.500A) removed outlier: 5.461A pdb=" N THR U 342 " --> pdb=" O THR U 654 " (cutoff:3.500A) Processing sheet with id=203, first strand: chain 'U' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL U 323 " --> pdb=" O ASN U 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN U 320 " --> pdb=" O GLN U 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN U 680 " --> pdb=" O ASN U 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR U 674 " --> pdb=" O VAL U 326 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N GLU U 686 " --> pdb=" O LYS U 312 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N GLY U 308 " --> pdb=" O GLN U 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP U 307 " --> pdb=" O SER U 426 " (cutoff:3.500A) Processing sheet with id=204, first strand: chain 'U' and resid 411 through 417 Processing sheet with id=205, first strand: chain 'U' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR U 509 " --> pdb=" O VAL U 520 " (cutoff:3.500A) Processing sheet with id=206, first strand: chain 'U' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN U 489 " --> pdb=" O SER U 539 " (cutoff:3.500A) Processing sheet with id=207, first strand: chain 'U' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY U 580 " --> pdb=" O VAL U 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE U 594 " --> pdb=" O ASP U 584 " (cutoff:3.500A) Processing sheet with id=208, first strand: chain 'U' and resid 621 through 624 No H-bonds generated for sheet with id=208 Processing sheet with id=209, first strand: chain 'U' and resid 239 through 251 Processing sheet with id=210, first strand: chain 'U' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG U 313 " --> pdb=" O GLU U 686 " (cutoff:3.500A) Processing sheet with id=211, first strand: chain 'V' and resid 230 through 235 removed outlier: 6.584A pdb=" N HIS V 230 " --> pdb=" O THR V 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP V 232 " --> pdb=" O THR V 243 " (cutoff:3.500A) removed outlier: 4.853A pdb=" N TYR V 378 " --> pdb=" O THR V 280 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N PHE V 276 " --> pdb=" O THR V 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU V 257 " --> pdb=" O PRO V 281 " (cutoff:3.500A) Processing sheet with id=212, first strand: chain 'V' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE V 649 " --> pdb=" O PHE V 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR V 654 " --> pdb=" O THR V 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR V 342 " --> pdb=" O THR V 654 " (cutoff:3.500A) Processing sheet with id=213, first strand: chain 'V' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL V 323 " --> pdb=" O ASN V 338 " (cutoff:3.500A) removed outlier: 5.307A pdb=" N ASN V 320 " --> pdb=" O GLN V 680 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N GLN V 680 " --> pdb=" O ASN V 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR V 674 " --> pdb=" O VAL V 326 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N GLU V 686 " --> pdb=" O LYS V 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY V 308 " --> pdb=" O GLN V 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP V 307 " --> pdb=" O SER V 426 " (cutoff:3.500A) Processing sheet with id=214, first strand: chain 'V' and resid 411 through 417 Processing sheet with id=215, first strand: chain 'V' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR V 509 " --> pdb=" O VAL V 520 " (cutoff:3.500A) Processing sheet with id=216, first strand: chain 'V' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN V 489 " --> pdb=" O SER V 539 " (cutoff:3.500A) Processing sheet with id=217, first strand: chain 'V' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY V 580 " --> pdb=" O VAL V 598 " (cutoff:3.500A) removed outlier: 6.584A pdb=" N ILE V 594 " --> pdb=" O ASP V 584 " (cutoff:3.500A) Processing sheet with id=218, first strand: chain 'V' and resid 621 through 624 No H-bonds generated for sheet with id=218 Processing sheet with id=219, first strand: chain 'V' and resid 239 through 251 Processing sheet with id=220, first strand: chain 'V' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG V 313 " --> pdb=" O GLU V 686 " (cutoff:3.500A) Processing sheet with id=221, first strand: chain 'W' and resid 230 through 235 removed outlier: 6.584A pdb=" N HIS W 230 " --> pdb=" O THR W 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP W 232 " --> pdb=" O THR W 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR W 378 " --> pdb=" O THR W 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE W 276 " --> pdb=" O THR W 382 " (cutoff:3.500A) removed outlier: 7.191A pdb=" N LEU W 257 " --> pdb=" O PRO W 281 " (cutoff:3.500A) Processing sheet with id=222, first strand: chain 'W' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE W 649 " --> pdb=" O PHE W 285 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N THR W 654 " --> pdb=" O THR W 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR W 342 " --> pdb=" O THR W 654 " (cutoff:3.500A) Processing sheet with id=223, first strand: chain 'W' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL W 323 " --> pdb=" O ASN W 338 " (cutoff:3.500A) removed outlier: 5.307A pdb=" N ASN W 320 " --> pdb=" O GLN W 680 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N GLN W 680 " --> pdb=" O ASN W 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR W 674 " --> pdb=" O VAL W 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU W 686 " --> pdb=" O LYS W 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY W 308 " --> pdb=" O GLN W 690 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N TRP W 307 " --> pdb=" O SER W 426 " (cutoff:3.500A) Processing sheet with id=224, first strand: chain 'W' and resid 411 through 417 Processing sheet with id=225, first strand: chain 'W' and resid 509 through 513 removed outlier: 6.158A pdb=" N THR W 509 " --> pdb=" O VAL W 520 " (cutoff:3.500A) Processing sheet with id=226, first strand: chain 'W' and resid 536 through 539 removed outlier: 7.246A pdb=" N GLN W 489 " --> pdb=" O SER W 539 " (cutoff:3.500A) Processing sheet with id=227, first strand: chain 'W' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY W 580 " --> pdb=" O VAL W 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE W 594 " --> pdb=" O ASP W 584 " (cutoff:3.500A) Processing sheet with id=228, first strand: chain 'W' and resid 621 through 624 No H-bonds generated for sheet with id=228 Processing sheet with id=229, first strand: chain 'W' and resid 239 through 251 Processing sheet with id=230, first strand: chain 'W' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG W 313 " --> pdb=" O GLU W 686 " (cutoff:3.500A) Processing sheet with id=231, first strand: chain 'X' and resid 230 through 235 removed outlier: 6.584A pdb=" N HIS X 230 " --> pdb=" O THR X 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP X 232 " --> pdb=" O THR X 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR X 378 " --> pdb=" O THR X 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE X 276 " --> pdb=" O THR X 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU X 257 " --> pdb=" O PRO X 281 " (cutoff:3.500A) Processing sheet with id=232, first strand: chain 'X' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE X 649 " --> pdb=" O PHE X 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR X 654 " --> pdb=" O THR X 342 " (cutoff:3.500A) removed outlier: 5.461A pdb=" N THR X 342 " --> pdb=" O THR X 654 " (cutoff:3.500A) Processing sheet with id=233, first strand: chain 'X' and resid 332 through 338 removed outlier: 4.758A pdb=" N VAL X 323 " --> pdb=" O ASN X 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN X 320 " --> pdb=" O GLN X 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN X 680 " --> pdb=" O ASN X 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR X 674 " --> pdb=" O VAL X 326 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N GLU X 686 " --> pdb=" O LYS X 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY X 308 " --> pdb=" O GLN X 690 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N TRP X 307 " --> pdb=" O SER X 426 " (cutoff:3.500A) Processing sheet with id=234, first strand: chain 'X' and resid 411 through 417 Processing sheet with id=235, first strand: chain 'X' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR X 509 " --> pdb=" O VAL X 520 " (cutoff:3.500A) Processing sheet with id=236, first strand: chain 'X' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN X 489 " --> pdb=" O SER X 539 " (cutoff:3.500A) Processing sheet with id=237, first strand: chain 'X' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY X 580 " --> pdb=" O VAL X 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE X 594 " --> pdb=" O ASP X 584 " (cutoff:3.500A) Processing sheet with id=238, first strand: chain 'X' and resid 621 through 624 No H-bonds generated for sheet with id=238 Processing sheet with id=239, first strand: chain 'X' and resid 239 through 251 Processing sheet with id=240, first strand: chain 'X' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG X 313 " --> pdb=" O GLU X 686 " (cutoff:3.500A) Processing sheet with id=241, first strand: chain 'Y' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS Y 230 " --> pdb=" O THR Y 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP Y 232 " --> pdb=" O THR Y 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR Y 378 " --> pdb=" O THR Y 280 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N PHE Y 276 " --> pdb=" O THR Y 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU Y 257 " --> pdb=" O PRO Y 281 " (cutoff:3.500A) Processing sheet with id=242, first strand: chain 'Y' and resid 282 through 285 removed outlier: 4.745A pdb=" N ILE Y 649 " --> pdb=" O PHE Y 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR Y 654 " --> pdb=" O THR Y 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR Y 342 " --> pdb=" O THR Y 654 " (cutoff:3.500A) Processing sheet with id=243, first strand: chain 'Y' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL Y 323 " --> pdb=" O ASN Y 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN Y 320 " --> pdb=" O GLN Y 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN Y 680 " --> pdb=" O ASN Y 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR Y 674 " --> pdb=" O VAL Y 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU Y 686 " --> pdb=" O LYS Y 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY Y 308 " --> pdb=" O GLN Y 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP Y 307 " --> pdb=" O SER Y 426 " (cutoff:3.500A) Processing sheet with id=244, first strand: chain 'Y' and resid 411 through 417 Processing sheet with id=245, first strand: chain 'Y' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR Y 509 " --> pdb=" O VAL Y 520 " (cutoff:3.500A) Processing sheet with id=246, first strand: chain 'Y' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN Y 489 " --> pdb=" O SER Y 539 " (cutoff:3.500A) Processing sheet with id=247, first strand: chain 'Y' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY Y 580 " --> pdb=" O VAL Y 598 " (cutoff:3.500A) removed outlier: 6.586A pdb=" N ILE Y 594 " --> pdb=" O ASP Y 584 " (cutoff:3.500A) Processing sheet with id=248, first strand: chain 'Y' and resid 621 through 624 No H-bonds generated for sheet with id=248 Processing sheet with id=249, first strand: chain 'Y' and resid 239 through 251 Processing sheet with id=250, first strand: chain 'Y' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG Y 313 " --> pdb=" O GLU Y 686 " (cutoff:3.500A) Processing sheet with id=251, first strand: chain 'Z' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS Z 230 " --> pdb=" O THR Z 245 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N ASP Z 232 " --> pdb=" O THR Z 243 " (cutoff:3.500A) removed outlier: 4.853A pdb=" N TYR Z 378 " --> pdb=" O THR Z 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE Z 276 " --> pdb=" O THR Z 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU Z 257 " --> pdb=" O PRO Z 281 " (cutoff:3.500A) Processing sheet with id=252, first strand: chain 'Z' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE Z 649 " --> pdb=" O PHE Z 285 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N THR Z 654 " --> pdb=" O THR Z 342 " (cutoff:3.500A) removed outlier: 5.461A pdb=" N THR Z 342 " --> pdb=" O THR Z 654 " (cutoff:3.500A) Processing sheet with id=253, first strand: chain 'Z' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL Z 323 " --> pdb=" O ASN Z 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN Z 320 " --> pdb=" O GLN Z 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN Z 680 " --> pdb=" O ASN Z 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR Z 674 " --> pdb=" O VAL Z 326 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N GLU Z 686 " --> pdb=" O LYS Z 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY Z 308 " --> pdb=" O GLN Z 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP Z 307 " --> pdb=" O SER Z 426 " (cutoff:3.500A) Processing sheet with id=254, first strand: chain 'Z' and resid 411 through 417 Processing sheet with id=255, first strand: chain 'Z' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR Z 509 " --> pdb=" O VAL Z 520 " (cutoff:3.500A) Processing sheet with id=256, first strand: chain 'Z' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN Z 489 " --> pdb=" O SER Z 539 " (cutoff:3.500A) Processing sheet with id=257, first strand: chain 'Z' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY Z 580 " --> pdb=" O VAL Z 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE Z 594 " --> pdb=" O ASP Z 584 " (cutoff:3.500A) Processing sheet with id=258, first strand: chain 'Z' and resid 621 through 624 No H-bonds generated for sheet with id=258 Processing sheet with id=259, first strand: chain 'Z' and resid 239 through 251 Processing sheet with id=260, first strand: chain 'Z' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG Z 313 " --> pdb=" O GLU Z 686 " (cutoff:3.500A) Processing sheet with id=261, first strand: chain 'a' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS a 230 " --> pdb=" O THR a 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP a 232 " --> pdb=" O THR a 243 " (cutoff:3.500A) removed outlier: 4.855A pdb=" N TYR a 378 " --> pdb=" O THR a 280 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N PHE a 276 " --> pdb=" O THR a 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU a 257 " --> pdb=" O PRO a 281 " (cutoff:3.500A) Processing sheet with id=262, first strand: chain 'a' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE a 649 " --> pdb=" O PHE a 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR a 654 " --> pdb=" O THR a 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR a 342 " --> pdb=" O THR a 654 " (cutoff:3.500A) Processing sheet with id=263, first strand: chain 'a' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL a 323 " --> pdb=" O ASN a 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN a 320 " --> pdb=" O GLN a 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN a 680 " --> pdb=" O ASN a 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR a 674 " --> pdb=" O VAL a 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU a 686 " --> pdb=" O LYS a 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY a 308 " --> pdb=" O GLN a 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP a 307 " --> pdb=" O SER a 426 " (cutoff:3.500A) Processing sheet with id=264, first strand: chain 'a' and resid 411 through 417 Processing sheet with id=265, first strand: chain 'a' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR a 509 " --> pdb=" O VAL a 520 " (cutoff:3.500A) Processing sheet with id=266, first strand: chain 'a' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN a 489 " --> pdb=" O SER a 539 " (cutoff:3.500A) Processing sheet with id=267, first strand: chain 'a' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY a 580 " --> pdb=" O VAL a 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE a 594 " --> pdb=" O ASP a 584 " (cutoff:3.500A) Processing sheet with id=268, first strand: chain 'a' and resid 621 through 624 No H-bonds generated for sheet with id=268 Processing sheet with id=269, first strand: chain 'a' and resid 239 through 251 Processing sheet with id=270, first strand: chain 'a' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG a 313 " --> pdb=" O GLU a 686 " (cutoff:3.500A) Processing sheet with id=271, first strand: chain 'b' and resid 230 through 235 removed outlier: 6.584A pdb=" N HIS b 230 " --> pdb=" O THR b 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP b 232 " --> pdb=" O THR b 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR b 378 " --> pdb=" O THR b 280 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N PHE b 276 " --> pdb=" O THR b 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU b 257 " --> pdb=" O PRO b 281 " (cutoff:3.500A) Processing sheet with id=272, first strand: chain 'b' and resid 282 through 285 removed outlier: 4.745A pdb=" N ILE b 649 " --> pdb=" O PHE b 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR b 654 " --> pdb=" O THR b 342 " (cutoff:3.500A) removed outlier: 5.461A pdb=" N THR b 342 " --> pdb=" O THR b 654 " (cutoff:3.500A) Processing sheet with id=273, first strand: chain 'b' and resid 332 through 338 removed outlier: 4.758A pdb=" N VAL b 323 " --> pdb=" O ASN b 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN b 320 " --> pdb=" O GLN b 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN b 680 " --> pdb=" O ASN b 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR b 674 " --> pdb=" O VAL b 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU b 686 " --> pdb=" O LYS b 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY b 308 " --> pdb=" O GLN b 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP b 307 " --> pdb=" O SER b 426 " (cutoff:3.500A) Processing sheet with id=274, first strand: chain 'b' and resid 411 through 417 Processing sheet with id=275, first strand: chain 'b' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR b 509 " --> pdb=" O VAL b 520 " (cutoff:3.500A) Processing sheet with id=276, first strand: chain 'b' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN b 489 " --> pdb=" O SER b 539 " (cutoff:3.500A) Processing sheet with id=277, first strand: chain 'b' and resid 580 through 584 removed outlier: 3.789A pdb=" N GLY b 580 " --> pdb=" O VAL b 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE b 594 " --> pdb=" O ASP b 584 " (cutoff:3.500A) Processing sheet with id=278, first strand: chain 'b' and resid 621 through 624 No H-bonds generated for sheet with id=278 Processing sheet with id=279, first strand: chain 'b' and resid 239 through 251 Processing sheet with id=280, first strand: chain 'b' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG b 313 " --> pdb=" O GLU b 686 " (cutoff:3.500A) Processing sheet with id=281, first strand: chain 'c' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS c 230 " --> pdb=" O THR c 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP c 232 " --> pdb=" O THR c 243 " (cutoff:3.500A) removed outlier: 4.855A pdb=" N TYR c 378 " --> pdb=" O THR c 280 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N PHE c 276 " --> pdb=" O THR c 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU c 257 " --> pdb=" O PRO c 281 " (cutoff:3.500A) Processing sheet with id=282, first strand: chain 'c' and resid 282 through 285 removed outlier: 4.745A pdb=" N ILE c 649 " --> pdb=" O PHE c 285 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N THR c 654 " --> pdb=" O THR c 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR c 342 " --> pdb=" O THR c 654 " (cutoff:3.500A) Processing sheet with id=283, first strand: chain 'c' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL c 323 " --> pdb=" O ASN c 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN c 320 " --> pdb=" O GLN c 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN c 680 " --> pdb=" O ASN c 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR c 674 " --> pdb=" O VAL c 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU c 686 " --> pdb=" O LYS c 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY c 308 " --> pdb=" O GLN c 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP c 307 " --> pdb=" O SER c 426 " (cutoff:3.500A) Processing sheet with id=284, first strand: chain 'c' and resid 411 through 417 Processing sheet with id=285, first strand: chain 'c' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR c 509 " --> pdb=" O VAL c 520 " (cutoff:3.500A) Processing sheet with id=286, first strand: chain 'c' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN c 489 " --> pdb=" O SER c 539 " (cutoff:3.500A) Processing sheet with id=287, first strand: chain 'c' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY c 580 " --> pdb=" O VAL c 598 " (cutoff:3.500A) removed outlier: 6.586A pdb=" N ILE c 594 " --> pdb=" O ASP c 584 " (cutoff:3.500A) Processing sheet with id=288, first strand: chain 'c' and resid 621 through 624 No H-bonds generated for sheet with id=288 Processing sheet with id=289, first strand: chain 'c' and resid 239 through 251 Processing sheet with id=290, first strand: chain 'c' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG c 313 " --> pdb=" O GLU c 686 " (cutoff:3.500A) Processing sheet with id=291, first strand: chain 'd' and resid 230 through 235 removed outlier: 6.584A pdb=" N HIS d 230 " --> pdb=" O THR d 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP d 232 " --> pdb=" O THR d 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR d 378 " --> pdb=" O THR d 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE d 276 " --> pdb=" O THR d 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU d 257 " --> pdb=" O PRO d 281 " (cutoff:3.500A) Processing sheet with id=292, first strand: chain 'd' and resid 282 through 285 removed outlier: 4.745A pdb=" N ILE d 649 " --> pdb=" O PHE d 285 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N THR d 654 " --> pdb=" O THR d 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR d 342 " --> pdb=" O THR d 654 " (cutoff:3.500A) Processing sheet with id=293, first strand: chain 'd' and resid 332 through 338 removed outlier: 4.756A pdb=" N VAL d 323 " --> pdb=" O ASN d 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN d 320 " --> pdb=" O GLN d 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN d 680 " --> pdb=" O ASN d 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR d 674 " --> pdb=" O VAL d 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU d 686 " --> pdb=" O LYS d 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY d 308 " --> pdb=" O GLN d 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP d 307 " --> pdb=" O SER d 426 " (cutoff:3.500A) Processing sheet with id=294, first strand: chain 'd' and resid 411 through 417 Processing sheet with id=295, first strand: chain 'd' and resid 509 through 513 removed outlier: 6.158A pdb=" N THR d 509 " --> pdb=" O VAL d 520 " (cutoff:3.500A) Processing sheet with id=296, first strand: chain 'd' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN d 489 " --> pdb=" O SER d 539 " (cutoff:3.500A) Processing sheet with id=297, first strand: chain 'd' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY d 580 " --> pdb=" O VAL d 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE d 594 " --> pdb=" O ASP d 584 " (cutoff:3.500A) Processing sheet with id=298, first strand: chain 'd' and resid 621 through 624 No H-bonds generated for sheet with id=298 Processing sheet with id=299, first strand: chain 'd' and resid 239 through 251 Processing sheet with id=300, first strand: chain 'd' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG d 313 " --> pdb=" O GLU d 686 " (cutoff:3.500A) Processing sheet with id=301, first strand: chain 'e' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS e 230 " --> pdb=" O THR e 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP e 232 " --> pdb=" O THR e 243 " (cutoff:3.500A) removed outlier: 4.853A pdb=" N TYR e 378 " --> pdb=" O THR e 280 " (cutoff:3.500A) removed outlier: 4.499A pdb=" N PHE e 276 " --> pdb=" O THR e 382 " (cutoff:3.500A) removed outlier: 7.191A pdb=" N LEU e 257 " --> pdb=" O PRO e 281 " (cutoff:3.500A) Processing sheet with id=302, first strand: chain 'e' and resid 282 through 285 removed outlier: 4.745A pdb=" N ILE e 649 " --> pdb=" O PHE e 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR e 654 " --> pdb=" O THR e 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR e 342 " --> pdb=" O THR e 654 " (cutoff:3.500A) Processing sheet with id=303, first strand: chain 'e' and resid 332 through 338 removed outlier: 4.756A pdb=" N VAL e 323 " --> pdb=" O ASN e 338 " (cutoff:3.500A) removed outlier: 5.307A pdb=" N ASN e 320 " --> pdb=" O GLN e 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN e 680 " --> pdb=" O ASN e 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR e 674 " --> pdb=" O VAL e 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU e 686 " --> pdb=" O LYS e 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY e 308 " --> pdb=" O GLN e 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP e 307 " --> pdb=" O SER e 426 " (cutoff:3.500A) Processing sheet with id=304, first strand: chain 'e' and resid 411 through 417 Processing sheet with id=305, first strand: chain 'e' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR e 509 " --> pdb=" O VAL e 520 " (cutoff:3.500A) Processing sheet with id=306, first strand: chain 'e' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN e 489 " --> pdb=" O SER e 539 " (cutoff:3.500A) Processing sheet with id=307, first strand: chain 'e' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY e 580 " --> pdb=" O VAL e 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE e 594 " --> pdb=" O ASP e 584 " (cutoff:3.500A) Processing sheet with id=308, first strand: chain 'e' and resid 621 through 624 No H-bonds generated for sheet with id=308 Processing sheet with id=309, first strand: chain 'e' and resid 239 through 251 Processing sheet with id=310, first strand: chain 'e' and resid 313 through 319 removed outlier: 3.511A pdb=" N ARG e 313 " --> pdb=" O GLU e 686 " (cutoff:3.500A) Processing sheet with id=311, first strand: chain 'f' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS f 230 " --> pdb=" O THR f 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP f 232 " --> pdb=" O THR f 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR f 378 " --> pdb=" O THR f 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE f 276 " --> pdb=" O THR f 382 " (cutoff:3.500A) removed outlier: 7.191A pdb=" N LEU f 257 " --> pdb=" O PRO f 281 " (cutoff:3.500A) Processing sheet with id=312, first strand: chain 'f' and resid 282 through 285 removed outlier: 4.745A pdb=" N ILE f 649 " --> pdb=" O PHE f 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR f 654 " --> pdb=" O THR f 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR f 342 " --> pdb=" O THR f 654 " (cutoff:3.500A) Processing sheet with id=313, first strand: chain 'f' and resid 332 through 338 removed outlier: 4.758A pdb=" N VAL f 323 " --> pdb=" O ASN f 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN f 320 " --> pdb=" O GLN f 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN f 680 " --> pdb=" O ASN f 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR f 674 " --> pdb=" O VAL f 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU f 686 " --> pdb=" O LYS f 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY f 308 " --> pdb=" O GLN f 690 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N TRP f 307 " --> pdb=" O SER f 426 " (cutoff:3.500A) Processing sheet with id=314, first strand: chain 'f' and resid 411 through 417 Processing sheet with id=315, first strand: chain 'f' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR f 509 " --> pdb=" O VAL f 520 " (cutoff:3.500A) Processing sheet with id=316, first strand: chain 'f' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN f 489 " --> pdb=" O SER f 539 " (cutoff:3.500A) Processing sheet with id=317, first strand: chain 'f' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY f 580 " --> pdb=" O VAL f 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE f 594 " --> pdb=" O ASP f 584 " (cutoff:3.500A) Processing sheet with id=318, first strand: chain 'f' and resid 621 through 624 No H-bonds generated for sheet with id=318 Processing sheet with id=319, first strand: chain 'f' and resid 239 through 251 Processing sheet with id=320, first strand: chain 'f' and resid 313 through 319 removed outlier: 3.511A pdb=" N ARG f 313 " --> pdb=" O GLU f 686 " (cutoff:3.500A) Processing sheet with id=321, first strand: chain 'g' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS g 230 " --> pdb=" O THR g 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP g 232 " --> pdb=" O THR g 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR g 378 " --> pdb=" O THR g 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE g 276 " --> pdb=" O THR g 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU g 257 " --> pdb=" O PRO g 281 " (cutoff:3.500A) Processing sheet with id=322, first strand: chain 'g' and resid 282 through 285 removed outlier: 4.745A pdb=" N ILE g 649 " --> pdb=" O PHE g 285 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N THR g 654 " --> pdb=" O THR g 342 " (cutoff:3.500A) removed outlier: 5.461A pdb=" N THR g 342 " --> pdb=" O THR g 654 " (cutoff:3.500A) Processing sheet with id=323, first strand: chain 'g' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL g 323 " --> pdb=" O ASN g 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN g 320 " --> pdb=" O GLN g 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN g 680 " --> pdb=" O ASN g 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR g 674 " --> pdb=" O VAL g 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU g 686 " --> pdb=" O LYS g 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY g 308 " --> pdb=" O GLN g 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP g 307 " --> pdb=" O SER g 426 " (cutoff:3.500A) Processing sheet with id=324, first strand: chain 'g' and resid 411 through 417 Processing sheet with id=325, first strand: chain 'g' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR g 509 " --> pdb=" O VAL g 520 " (cutoff:3.500A) Processing sheet with id=326, first strand: chain 'g' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN g 489 " --> pdb=" O SER g 539 " (cutoff:3.500A) Processing sheet with id=327, first strand: chain 'g' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY g 580 " --> pdb=" O VAL g 598 " (cutoff:3.500A) removed outlier: 6.586A pdb=" N ILE g 594 " --> pdb=" O ASP g 584 " (cutoff:3.500A) Processing sheet with id=328, first strand: chain 'g' and resid 621 through 624 No H-bonds generated for sheet with id=328 Processing sheet with id=329, first strand: chain 'g' and resid 239 through 251 Processing sheet with id=330, first strand: chain 'g' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG g 313 " --> pdb=" O GLU g 686 " (cutoff:3.500A) Processing sheet with id=331, first strand: chain 'h' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS h 230 " --> pdb=" O THR h 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP h 232 " --> pdb=" O THR h 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR h 378 " --> pdb=" O THR h 280 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N PHE h 276 " --> pdb=" O THR h 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU h 257 " --> pdb=" O PRO h 281 " (cutoff:3.500A) Processing sheet with id=332, first strand: chain 'h' and resid 282 through 285 removed outlier: 4.743A pdb=" N ILE h 649 " --> pdb=" O PHE h 285 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N THR h 654 " --> pdb=" O THR h 342 " (cutoff:3.500A) removed outlier: 5.461A pdb=" N THR h 342 " --> pdb=" O THR h 654 " (cutoff:3.500A) Processing sheet with id=333, first strand: chain 'h' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL h 323 " --> pdb=" O ASN h 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN h 320 " --> pdb=" O GLN h 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN h 680 " --> pdb=" O ASN h 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR h 674 " --> pdb=" O VAL h 326 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N GLU h 686 " --> pdb=" O LYS h 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY h 308 " --> pdb=" O GLN h 690 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N TRP h 307 " --> pdb=" O SER h 426 " (cutoff:3.500A) Processing sheet with id=334, first strand: chain 'h' and resid 411 through 417 Processing sheet with id=335, first strand: chain 'h' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR h 509 " --> pdb=" O VAL h 520 " (cutoff:3.500A) Processing sheet with id=336, first strand: chain 'h' and resid 536 through 539 removed outlier: 7.246A pdb=" N GLN h 489 " --> pdb=" O SER h 539 " (cutoff:3.500A) Processing sheet with id=337, first strand: chain 'h' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY h 580 " --> pdb=" O VAL h 598 " (cutoff:3.500A) removed outlier: 6.584A pdb=" N ILE h 594 " --> pdb=" O ASP h 584 " (cutoff:3.500A) Processing sheet with id=338, first strand: chain 'h' and resid 621 through 624 No H-bonds generated for sheet with id=338 Processing sheet with id=339, first strand: chain 'h' and resid 239 through 251 Processing sheet with id=340, first strand: chain 'h' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG h 313 " --> pdb=" O GLU h 686 " (cutoff:3.500A) Processing sheet with id=341, first strand: chain 'i' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS i 230 " --> pdb=" O THR i 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP i 232 " --> pdb=" O THR i 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR i 378 " --> pdb=" O THR i 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE i 276 " --> pdb=" O THR i 382 " (cutoff:3.500A) removed outlier: 7.191A pdb=" N LEU i 257 " --> pdb=" O PRO i 281 " (cutoff:3.500A) Processing sheet with id=342, first strand: chain 'i' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE i 649 " --> pdb=" O PHE i 285 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N THR i 654 " --> pdb=" O THR i 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR i 342 " --> pdb=" O THR i 654 " (cutoff:3.500A) Processing sheet with id=343, first strand: chain 'i' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL i 323 " --> pdb=" O ASN i 338 " (cutoff:3.500A) removed outlier: 5.309A pdb=" N ASN i 320 " --> pdb=" O GLN i 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN i 680 " --> pdb=" O ASN i 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR i 674 " --> pdb=" O VAL i 326 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N GLU i 686 " --> pdb=" O LYS i 312 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N GLY i 308 " --> pdb=" O GLN i 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP i 307 " --> pdb=" O SER i 426 " (cutoff:3.500A) Processing sheet with id=344, first strand: chain 'i' and resid 411 through 417 Processing sheet with id=345, first strand: chain 'i' and resid 509 through 513 removed outlier: 6.160A pdb=" N THR i 509 " --> pdb=" O VAL i 520 " (cutoff:3.500A) Processing sheet with id=346, first strand: chain 'i' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN i 489 " --> pdb=" O SER i 539 " (cutoff:3.500A) Processing sheet with id=347, first strand: chain 'i' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY i 580 " --> pdb=" O VAL i 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE i 594 " --> pdb=" O ASP i 584 " (cutoff:3.500A) Processing sheet with id=348, first strand: chain 'i' and resid 621 through 624 No H-bonds generated for sheet with id=348 Processing sheet with id=349, first strand: chain 'i' and resid 239 through 251 Processing sheet with id=350, first strand: chain 'i' and resid 313 through 319 removed outlier: 3.511A pdb=" N ARG i 313 " --> pdb=" O GLU i 686 " (cutoff:3.500A) Processing sheet with id=351, first strand: chain 'j' and resid 230 through 235 removed outlier: 6.584A pdb=" N HIS j 230 " --> pdb=" O THR j 245 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N ASP j 232 " --> pdb=" O THR j 243 " (cutoff:3.500A) removed outlier: 4.853A pdb=" N TYR j 378 " --> pdb=" O THR j 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE j 276 " --> pdb=" O THR j 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU j 257 " --> pdb=" O PRO j 281 " (cutoff:3.500A) Processing sheet with id=352, first strand: chain 'j' and resid 282 through 285 removed outlier: 4.745A pdb=" N ILE j 649 " --> pdb=" O PHE j 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR j 654 " --> pdb=" O THR j 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR j 342 " --> pdb=" O THR j 654 " (cutoff:3.500A) Processing sheet with id=353, first strand: chain 'j' and resid 332 through 338 removed outlier: 4.758A pdb=" N VAL j 323 " --> pdb=" O ASN j 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN j 320 " --> pdb=" O GLN j 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN j 680 " --> pdb=" O ASN j 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR j 674 " --> pdb=" O VAL j 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU j 686 " --> pdb=" O LYS j 312 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLY j 308 " --> pdb=" O GLN j 690 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N TRP j 307 " --> pdb=" O SER j 426 " (cutoff:3.500A) Processing sheet with id=354, first strand: chain 'j' and resid 411 through 417 Processing sheet with id=355, first strand: chain 'j' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR j 509 " --> pdb=" O VAL j 520 " (cutoff:3.500A) Processing sheet with id=356, first strand: chain 'j' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN j 489 " --> pdb=" O SER j 539 " (cutoff:3.500A) Processing sheet with id=357, first strand: chain 'j' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY j 580 " --> pdb=" O VAL j 598 " (cutoff:3.500A) removed outlier: 6.586A pdb=" N ILE j 594 " --> pdb=" O ASP j 584 " (cutoff:3.500A) Processing sheet with id=358, first strand: chain 'j' and resid 621 through 624 No H-bonds generated for sheet with id=358 Processing sheet with id=359, first strand: chain 'j' and resid 239 through 251 Processing sheet with id=360, first strand: chain 'j' and resid 313 through 319 removed outlier: 3.509A pdb=" N ARG j 313 " --> pdb=" O GLU j 686 " (cutoff:3.500A) Processing sheet with id=361, first strand: chain 'k' and resid 230 through 235 removed outlier: 6.584A pdb=" N HIS k 230 " --> pdb=" O THR k 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP k 232 " --> pdb=" O THR k 243 " (cutoff:3.500A) removed outlier: 4.855A pdb=" N TYR k 378 " --> pdb=" O THR k 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE k 276 " --> pdb=" O THR k 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU k 257 " --> pdb=" O PRO k 281 " (cutoff:3.500A) Processing sheet with id=362, first strand: chain 'k' and resid 282 through 285 removed outlier: 4.745A pdb=" N ILE k 649 " --> pdb=" O PHE k 285 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N THR k 654 " --> pdb=" O THR k 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR k 342 " --> pdb=" O THR k 654 " (cutoff:3.500A) Processing sheet with id=363, first strand: chain 'k' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL k 323 " --> pdb=" O ASN k 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN k 320 " --> pdb=" O GLN k 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN k 680 " --> pdb=" O ASN k 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR k 674 " --> pdb=" O VAL k 326 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N GLU k 686 " --> pdb=" O LYS k 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY k 308 " --> pdb=" O GLN k 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP k 307 " --> pdb=" O SER k 426 " (cutoff:3.500A) Processing sheet with id=364, first strand: chain 'k' and resid 411 through 417 Processing sheet with id=365, first strand: chain 'k' and resid 509 through 513 removed outlier: 6.158A pdb=" N THR k 509 " --> pdb=" O VAL k 520 " (cutoff:3.500A) Processing sheet with id=366, first strand: chain 'k' and resid 536 through 539 removed outlier: 7.246A pdb=" N GLN k 489 " --> pdb=" O SER k 539 " (cutoff:3.500A) Processing sheet with id=367, first strand: chain 'k' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY k 580 " --> pdb=" O VAL k 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE k 594 " --> pdb=" O ASP k 584 " (cutoff:3.500A) Processing sheet with id=368, first strand: chain 'k' and resid 621 through 624 No H-bonds generated for sheet with id=368 Processing sheet with id=369, first strand: chain 'k' and resid 239 through 251 Processing sheet with id=370, first strand: chain 'k' and resid 313 through 319 removed outlier: 3.511A pdb=" N ARG k 313 " --> pdb=" O GLU k 686 " (cutoff:3.500A) Processing sheet with id=371, first strand: chain 'l' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS l 230 " --> pdb=" O THR l 245 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N ASP l 232 " --> pdb=" O THR l 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR l 378 " --> pdb=" O THR l 280 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N PHE l 276 " --> pdb=" O THR l 382 " (cutoff:3.500A) removed outlier: 7.191A pdb=" N LEU l 257 " --> pdb=" O PRO l 281 " (cutoff:3.500A) Processing sheet with id=372, first strand: chain 'l' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE l 649 " --> pdb=" O PHE l 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR l 654 " --> pdb=" O THR l 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR l 342 " --> pdb=" O THR l 654 " (cutoff:3.500A) Processing sheet with id=373, first strand: chain 'l' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL l 323 " --> pdb=" O ASN l 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN l 320 " --> pdb=" O GLN l 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN l 680 " --> pdb=" O ASN l 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR l 674 " --> pdb=" O VAL l 326 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N GLU l 686 " --> pdb=" O LYS l 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY l 308 " --> pdb=" O GLN l 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP l 307 " --> pdb=" O SER l 426 " (cutoff:3.500A) Processing sheet with id=374, first strand: chain 'l' and resid 411 through 417 Processing sheet with id=375, first strand: chain 'l' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR l 509 " --> pdb=" O VAL l 520 " (cutoff:3.500A) Processing sheet with id=376, first strand: chain 'l' and resid 536 through 539 removed outlier: 7.248A pdb=" N GLN l 489 " --> pdb=" O SER l 539 " (cutoff:3.500A) Processing sheet with id=377, first strand: chain 'l' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY l 580 " --> pdb=" O VAL l 598 " (cutoff:3.500A) removed outlier: 6.586A pdb=" N ILE l 594 " --> pdb=" O ASP l 584 " (cutoff:3.500A) Processing sheet with id=378, first strand: chain 'l' and resid 621 through 624 No H-bonds generated for sheet with id=378 Processing sheet with id=379, first strand: chain 'l' and resid 239 through 251 Processing sheet with id=380, first strand: chain 'l' and resid 313 through 319 removed outlier: 3.511A pdb=" N ARG l 313 " --> pdb=" O GLU l 686 " (cutoff:3.500A) Processing sheet with id=381, first strand: chain 'm' and resid 230 through 235 removed outlier: 6.584A pdb=" N HIS m 230 " --> pdb=" O THR m 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP m 232 " --> pdb=" O THR m 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR m 378 " --> pdb=" O THR m 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE m 276 " --> pdb=" O THR m 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU m 257 " --> pdb=" O PRO m 281 " (cutoff:3.500A) Processing sheet with id=382, first strand: chain 'm' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE m 649 " --> pdb=" O PHE m 285 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N THR m 654 " --> pdb=" O THR m 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR m 342 " --> pdb=" O THR m 654 " (cutoff:3.500A) Processing sheet with id=383, first strand: chain 'm' and resid 332 through 338 removed outlier: 4.758A pdb=" N VAL m 323 " --> pdb=" O ASN m 338 " (cutoff:3.500A) removed outlier: 5.307A pdb=" N ASN m 320 " --> pdb=" O GLN m 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN m 680 " --> pdb=" O ASN m 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR m 674 " --> pdb=" O VAL m 326 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N GLU m 686 " --> pdb=" O LYS m 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY m 308 " --> pdb=" O GLN m 690 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N TRP m 307 " --> pdb=" O SER m 426 " (cutoff:3.500A) Processing sheet with id=384, first strand: chain 'm' and resid 411 through 417 Processing sheet with id=385, first strand: chain 'm' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR m 509 " --> pdb=" O VAL m 520 " (cutoff:3.500A) Processing sheet with id=386, first strand: chain 'm' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN m 489 " --> pdb=" O SER m 539 " (cutoff:3.500A) Processing sheet with id=387, first strand: chain 'm' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY m 580 " --> pdb=" O VAL m 598 " (cutoff:3.500A) removed outlier: 6.586A pdb=" N ILE m 594 " --> pdb=" O ASP m 584 " (cutoff:3.500A) Processing sheet with id=388, first strand: chain 'm' and resid 621 through 624 No H-bonds generated for sheet with id=388 Processing sheet with id=389, first strand: chain 'm' and resid 239 through 251 Processing sheet with id=390, first strand: chain 'm' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG m 313 " --> pdb=" O GLU m 686 " (cutoff:3.500A) Processing sheet with id=391, first strand: chain 'n' and resid 230 through 235 removed outlier: 6.584A pdb=" N HIS n 230 " --> pdb=" O THR n 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP n 232 " --> pdb=" O THR n 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR n 378 " --> pdb=" O THR n 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE n 276 " --> pdb=" O THR n 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU n 257 " --> pdb=" O PRO n 281 " (cutoff:3.500A) Processing sheet with id=392, first strand: chain 'n' and resid 282 through 285 removed outlier: 4.745A pdb=" N ILE n 649 " --> pdb=" O PHE n 285 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N THR n 654 " --> pdb=" O THR n 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR n 342 " --> pdb=" O THR n 654 " (cutoff:3.500A) Processing sheet with id=393, first strand: chain 'n' and resid 332 through 338 removed outlier: 4.756A pdb=" N VAL n 323 " --> pdb=" O ASN n 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN n 320 " --> pdb=" O GLN n 680 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N GLN n 680 " --> pdb=" O ASN n 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR n 674 " --> pdb=" O VAL n 326 " (cutoff:3.500A) removed outlier: 6.560A pdb=" N GLU n 686 " --> pdb=" O LYS n 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY n 308 " --> pdb=" O GLN n 690 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N TRP n 307 " --> pdb=" O SER n 426 " (cutoff:3.500A) Processing sheet with id=394, first strand: chain 'n' and resid 411 through 417 Processing sheet with id=395, first strand: chain 'n' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR n 509 " --> pdb=" O VAL n 520 " (cutoff:3.500A) Processing sheet with id=396, first strand: chain 'n' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN n 489 " --> pdb=" O SER n 539 " (cutoff:3.500A) Processing sheet with id=397, first strand: chain 'n' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY n 580 " --> pdb=" O VAL n 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE n 594 " --> pdb=" O ASP n 584 " (cutoff:3.500A) Processing sheet with id=398, first strand: chain 'n' and resid 621 through 624 No H-bonds generated for sheet with id=398 Processing sheet with id=399, first strand: chain 'n' and resid 239 through 251 Processing sheet with id=400, first strand: chain 'n' and resid 313 through 319 removed outlier: 3.511A pdb=" N ARG n 313 " --> pdb=" O GLU n 686 " (cutoff:3.500A) Processing sheet with id=401, first strand: chain 'o' and resid 230 through 235 removed outlier: 6.582A pdb=" N HIS o 230 " --> pdb=" O THR o 245 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N ASP o 232 " --> pdb=" O THR o 243 " (cutoff:3.500A) removed outlier: 4.853A pdb=" N TYR o 378 " --> pdb=" O THR o 280 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N PHE o 276 " --> pdb=" O THR o 382 " (cutoff:3.500A) removed outlier: 7.191A pdb=" N LEU o 257 " --> pdb=" O PRO o 281 " (cutoff:3.500A) Processing sheet with id=402, first strand: chain 'o' and resid 282 through 285 removed outlier: 4.743A pdb=" N ILE o 649 " --> pdb=" O PHE o 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR o 654 " --> pdb=" O THR o 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR o 342 " --> pdb=" O THR o 654 " (cutoff:3.500A) Processing sheet with id=403, first strand: chain 'o' and resid 332 through 338 removed outlier: 4.758A pdb=" N VAL o 323 " --> pdb=" O ASN o 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN o 320 " --> pdb=" O GLN o 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN o 680 " --> pdb=" O ASN o 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR o 674 " --> pdb=" O VAL o 326 " (cutoff:3.500A) removed outlier: 6.560A pdb=" N GLU o 686 " --> pdb=" O LYS o 312 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N GLY o 308 " --> pdb=" O GLN o 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP o 307 " --> pdb=" O SER o 426 " (cutoff:3.500A) Processing sheet with id=404, first strand: chain 'o' and resid 411 through 417 Processing sheet with id=405, first strand: chain 'o' and resid 509 through 513 removed outlier: 6.160A pdb=" N THR o 509 " --> pdb=" O VAL o 520 " (cutoff:3.500A) Processing sheet with id=406, first strand: chain 'o' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN o 489 " --> pdb=" O SER o 539 " (cutoff:3.500A) Processing sheet with id=407, first strand: chain 'o' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY o 580 " --> pdb=" O VAL o 598 " (cutoff:3.500A) removed outlier: 6.584A pdb=" N ILE o 594 " --> pdb=" O ASP o 584 " (cutoff:3.500A) Processing sheet with id=408, first strand: chain 'o' and resid 621 through 624 No H-bonds generated for sheet with id=408 Processing sheet with id=409, first strand: chain 'o' and resid 239 through 251 Processing sheet with id=410, first strand: chain 'o' and resid 313 through 319 removed outlier: 3.511A pdb=" N ARG o 313 " --> pdb=" O GLU o 686 " (cutoff:3.500A) Processing sheet with id=411, first strand: chain 'p' and resid 230 through 235 removed outlier: 6.584A pdb=" N HIS p 230 " --> pdb=" O THR p 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP p 232 " --> pdb=" O THR p 243 " (cutoff:3.500A) removed outlier: 4.855A pdb=" N TYR p 378 " --> pdb=" O THR p 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE p 276 " --> pdb=" O THR p 382 " (cutoff:3.500A) removed outlier: 7.191A pdb=" N LEU p 257 " --> pdb=" O PRO p 281 " (cutoff:3.500A) Processing sheet with id=412, first strand: chain 'p' and resid 282 through 285 removed outlier: 4.745A pdb=" N ILE p 649 " --> pdb=" O PHE p 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR p 654 " --> pdb=" O THR p 342 " (cutoff:3.500A) removed outlier: 5.461A pdb=" N THR p 342 " --> pdb=" O THR p 654 " (cutoff:3.500A) Processing sheet with id=413, first strand: chain 'p' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL p 323 " --> pdb=" O ASN p 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN p 320 " --> pdb=" O GLN p 680 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N GLN p 680 " --> pdb=" O ASN p 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR p 674 " --> pdb=" O VAL p 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU p 686 " --> pdb=" O LYS p 312 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLY p 308 " --> pdb=" O GLN p 690 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N TRP p 307 " --> pdb=" O SER p 426 " (cutoff:3.500A) Processing sheet with id=414, first strand: chain 'p' and resid 411 through 417 Processing sheet with id=415, first strand: chain 'p' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR p 509 " --> pdb=" O VAL p 520 " (cutoff:3.500A) Processing sheet with id=416, first strand: chain 'p' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN p 489 " --> pdb=" O SER p 539 " (cutoff:3.500A) Processing sheet with id=417, first strand: chain 'p' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY p 580 " --> pdb=" O VAL p 598 " (cutoff:3.500A) removed outlier: 6.586A pdb=" N ILE p 594 " --> pdb=" O ASP p 584 " (cutoff:3.500A) Processing sheet with id=418, first strand: chain 'p' and resid 621 through 624 No H-bonds generated for sheet with id=418 Processing sheet with id=419, first strand: chain 'p' and resid 239 through 251 Processing sheet with id=420, first strand: chain 'p' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG p 313 " --> pdb=" O GLU p 686 " (cutoff:3.500A) Processing sheet with id=421, first strand: chain 'q' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS q 230 " --> pdb=" O THR q 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP q 232 " --> pdb=" O THR q 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR q 378 " --> pdb=" O THR q 280 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N PHE q 276 " --> pdb=" O THR q 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU q 257 " --> pdb=" O PRO q 281 " (cutoff:3.500A) Processing sheet with id=422, first strand: chain 'q' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE q 649 " --> pdb=" O PHE q 285 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N THR q 654 " --> pdb=" O THR q 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR q 342 " --> pdb=" O THR q 654 " (cutoff:3.500A) Processing sheet with id=423, first strand: chain 'q' and resid 332 through 338 removed outlier: 4.758A pdb=" N VAL q 323 " --> pdb=" O ASN q 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN q 320 " --> pdb=" O GLN q 680 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N GLN q 680 " --> pdb=" O ASN q 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR q 674 " --> pdb=" O VAL q 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU q 686 " --> pdb=" O LYS q 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY q 308 " --> pdb=" O GLN q 690 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N TRP q 307 " --> pdb=" O SER q 426 " (cutoff:3.500A) Processing sheet with id=424, first strand: chain 'q' and resid 411 through 417 Processing sheet with id=425, first strand: chain 'q' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR q 509 " --> pdb=" O VAL q 520 " (cutoff:3.500A) Processing sheet with id=426, first strand: chain 'q' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN q 489 " --> pdb=" O SER q 539 " (cutoff:3.500A) Processing sheet with id=427, first strand: chain 'q' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY q 580 " --> pdb=" O VAL q 598 " (cutoff:3.500A) removed outlier: 6.586A pdb=" N ILE q 594 " --> pdb=" O ASP q 584 " (cutoff:3.500A) Processing sheet with id=428, first strand: chain 'q' and resid 621 through 624 No H-bonds generated for sheet with id=428 Processing sheet with id=429, first strand: chain 'q' and resid 239 through 251 Processing sheet with id=430, first strand: chain 'q' and resid 313 through 319 removed outlier: 3.511A pdb=" N ARG q 313 " --> pdb=" O GLU q 686 " (cutoff:3.500A) Processing sheet with id=431, first strand: chain 'r' and resid 230 through 235 removed outlier: 6.584A pdb=" N HIS r 230 " --> pdb=" O THR r 245 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N ASP r 232 " --> pdb=" O THR r 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR r 378 " --> pdb=" O THR r 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE r 276 " --> pdb=" O THR r 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU r 257 " --> pdb=" O PRO r 281 " (cutoff:3.500A) Processing sheet with id=432, first strand: chain 'r' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE r 649 " --> pdb=" O PHE r 285 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N THR r 654 " --> pdb=" O THR r 342 " (cutoff:3.500A) removed outlier: 5.461A pdb=" N THR r 342 " --> pdb=" O THR r 654 " (cutoff:3.500A) Processing sheet with id=433, first strand: chain 'r' and resid 332 through 338 removed outlier: 4.756A pdb=" N VAL r 323 " --> pdb=" O ASN r 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN r 320 " --> pdb=" O GLN r 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN r 680 " --> pdb=" O ASN r 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR r 674 " --> pdb=" O VAL r 326 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N GLU r 686 " --> pdb=" O LYS r 312 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLY r 308 " --> pdb=" O GLN r 690 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N TRP r 307 " --> pdb=" O SER r 426 " (cutoff:3.500A) Processing sheet with id=434, first strand: chain 'r' and resid 411 through 417 Processing sheet with id=435, first strand: chain 'r' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR r 509 " --> pdb=" O VAL r 520 " (cutoff:3.500A) Processing sheet with id=436, first strand: chain 'r' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN r 489 " --> pdb=" O SER r 539 " (cutoff:3.500A) Processing sheet with id=437, first strand: chain 'r' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY r 580 " --> pdb=" O VAL r 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE r 594 " --> pdb=" O ASP r 584 " (cutoff:3.500A) Processing sheet with id=438, first strand: chain 'r' and resid 621 through 624 No H-bonds generated for sheet with id=438 Processing sheet with id=439, first strand: chain 'r' and resid 239 through 251 Processing sheet with id=440, first strand: chain 'r' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG r 313 " --> pdb=" O GLU r 686 " (cutoff:3.500A) Processing sheet with id=441, first strand: chain 's' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS s 230 " --> pdb=" O THR s 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP s 232 " --> pdb=" O THR s 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR s 378 " --> pdb=" O THR s 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE s 276 " --> pdb=" O THR s 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU s 257 " --> pdb=" O PRO s 281 " (cutoff:3.500A) Processing sheet with id=442, first strand: chain 's' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE s 649 " --> pdb=" O PHE s 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR s 654 " --> pdb=" O THR s 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR s 342 " --> pdb=" O THR s 654 " (cutoff:3.500A) Processing sheet with id=443, first strand: chain 's' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL s 323 " --> pdb=" O ASN s 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN s 320 " --> pdb=" O GLN s 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN s 680 " --> pdb=" O ASN s 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR s 674 " --> pdb=" O VAL s 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU s 686 " --> pdb=" O LYS s 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY s 308 " --> pdb=" O GLN s 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP s 307 " --> pdb=" O SER s 426 " (cutoff:3.500A) Processing sheet with id=444, first strand: chain 's' and resid 411 through 417 Processing sheet with id=445, first strand: chain 's' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR s 509 " --> pdb=" O VAL s 520 " (cutoff:3.500A) Processing sheet with id=446, first strand: chain 's' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN s 489 " --> pdb=" O SER s 539 " (cutoff:3.500A) Processing sheet with id=447, first strand: chain 's' and resid 580 through 584 removed outlier: 3.791A pdb=" N GLY s 580 " --> pdb=" O VAL s 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE s 594 " --> pdb=" O ASP s 584 " (cutoff:3.500A) Processing sheet with id=448, first strand: chain 's' and resid 621 through 624 No H-bonds generated for sheet with id=448 Processing sheet with id=449, first strand: chain 's' and resid 239 through 251 Processing sheet with id=450, first strand: chain 's' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG s 313 " --> pdb=" O GLU s 686 " (cutoff:3.500A) Processing sheet with id=451, first strand: chain 't' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS t 230 " --> pdb=" O THR t 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP t 232 " --> pdb=" O THR t 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR t 378 " --> pdb=" O THR t 280 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N PHE t 276 " --> pdb=" O THR t 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU t 257 " --> pdb=" O PRO t 281 " (cutoff:3.500A) Processing sheet with id=452, first strand: chain 't' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE t 649 " --> pdb=" O PHE t 285 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N THR t 654 " --> pdb=" O THR t 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR t 342 " --> pdb=" O THR t 654 " (cutoff:3.500A) Processing sheet with id=453, first strand: chain 't' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL t 323 " --> pdb=" O ASN t 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN t 320 " --> pdb=" O GLN t 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN t 680 " --> pdb=" O ASN t 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR t 674 " --> pdb=" O VAL t 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU t 686 " --> pdb=" O LYS t 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY t 308 " --> pdb=" O GLN t 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP t 307 " --> pdb=" O SER t 426 " (cutoff:3.500A) Processing sheet with id=454, first strand: chain 't' and resid 411 through 417 Processing sheet with id=455, first strand: chain 't' and resid 509 through 513 removed outlier: 6.160A pdb=" N THR t 509 " --> pdb=" O VAL t 520 " (cutoff:3.500A) Processing sheet with id=456, first strand: chain 't' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN t 489 " --> pdb=" O SER t 539 " (cutoff:3.500A) Processing sheet with id=457, first strand: chain 't' and resid 580 through 584 removed outlier: 3.791A pdb=" N GLY t 580 " --> pdb=" O VAL t 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE t 594 " --> pdb=" O ASP t 584 " (cutoff:3.500A) Processing sheet with id=458, first strand: chain 't' and resid 621 through 624 No H-bonds generated for sheet with id=458 Processing sheet with id=459, first strand: chain 't' and resid 239 through 251 Processing sheet with id=460, first strand: chain 't' and resid 313 through 319 removed outlier: 3.511A pdb=" N ARG t 313 " --> pdb=" O GLU t 686 " (cutoff:3.500A) Processing sheet with id=461, first strand: chain 'u' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS u 230 " --> pdb=" O THR u 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP u 232 " --> pdb=" O THR u 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR u 378 " --> pdb=" O THR u 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE u 276 " --> pdb=" O THR u 382 " (cutoff:3.500A) removed outlier: 7.191A pdb=" N LEU u 257 " --> pdb=" O PRO u 281 " (cutoff:3.500A) Processing sheet with id=462, first strand: chain 'u' and resid 282 through 285 removed outlier: 4.745A pdb=" N ILE u 649 " --> pdb=" O PHE u 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR u 654 " --> pdb=" O THR u 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR u 342 " --> pdb=" O THR u 654 " (cutoff:3.500A) Processing sheet with id=463, first strand: chain 'u' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL u 323 " --> pdb=" O ASN u 338 " (cutoff:3.500A) removed outlier: 5.307A pdb=" N ASN u 320 " --> pdb=" O GLN u 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN u 680 " --> pdb=" O ASN u 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR u 674 " --> pdb=" O VAL u 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU u 686 " --> pdb=" O LYS u 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY u 308 " --> pdb=" O GLN u 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP u 307 " --> pdb=" O SER u 426 " (cutoff:3.500A) Processing sheet with id=464, first strand: chain 'u' and resid 411 through 417 Processing sheet with id=465, first strand: chain 'u' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR u 509 " --> pdb=" O VAL u 520 " (cutoff:3.500A) Processing sheet with id=466, first strand: chain 'u' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN u 489 " --> pdb=" O SER u 539 " (cutoff:3.500A) Processing sheet with id=467, first strand: chain 'u' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY u 580 " --> pdb=" O VAL u 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE u 594 " --> pdb=" O ASP u 584 " (cutoff:3.500A) Processing sheet with id=468, first strand: chain 'u' and resid 621 through 624 No H-bonds generated for sheet with id=468 Processing sheet with id=469, first strand: chain 'u' and resid 239 through 251 Processing sheet with id=470, first strand: chain 'u' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG u 313 " --> pdb=" O GLU u 686 " (cutoff:3.500A) Processing sheet with id=471, first strand: chain 'v' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS v 230 " --> pdb=" O THR v 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP v 232 " --> pdb=" O THR v 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR v 378 " --> pdb=" O THR v 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE v 276 " --> pdb=" O THR v 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU v 257 " --> pdb=" O PRO v 281 " (cutoff:3.500A) Processing sheet with id=472, first strand: chain 'v' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE v 649 " --> pdb=" O PHE v 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR v 654 " --> pdb=" O THR v 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR v 342 " --> pdb=" O THR v 654 " (cutoff:3.500A) Processing sheet with id=473, first strand: chain 'v' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL v 323 " --> pdb=" O ASN v 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN v 320 " --> pdb=" O GLN v 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN v 680 " --> pdb=" O ASN v 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR v 674 " --> pdb=" O VAL v 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU v 686 " --> pdb=" O LYS v 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY v 308 " --> pdb=" O GLN v 690 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N TRP v 307 " --> pdb=" O SER v 426 " (cutoff:3.500A) Processing sheet with id=474, first strand: chain 'v' and resid 411 through 417 Processing sheet with id=475, first strand: chain 'v' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR v 509 " --> pdb=" O VAL v 520 " (cutoff:3.500A) Processing sheet with id=476, first strand: chain 'v' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN v 489 " --> pdb=" O SER v 539 " (cutoff:3.500A) Processing sheet with id=477, first strand: chain 'v' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY v 580 " --> pdb=" O VAL v 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE v 594 " --> pdb=" O ASP v 584 " (cutoff:3.500A) Processing sheet with id=478, first strand: chain 'v' and resid 621 through 624 No H-bonds generated for sheet with id=478 Processing sheet with id=479, first strand: chain 'v' and resid 239 through 251 Processing sheet with id=480, first strand: chain 'v' and resid 313 through 319 removed outlier: 3.511A pdb=" N ARG v 313 " --> pdb=" O GLU v 686 " (cutoff:3.500A) Processing sheet with id=481, first strand: chain 'w' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS w 230 " --> pdb=" O THR w 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP w 232 " --> pdb=" O THR w 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR w 378 " --> pdb=" O THR w 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE w 276 " --> pdb=" O THR w 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU w 257 " --> pdb=" O PRO w 281 " (cutoff:3.500A) Processing sheet with id=482, first strand: chain 'w' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE w 649 " --> pdb=" O PHE w 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR w 654 " --> pdb=" O THR w 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR w 342 " --> pdb=" O THR w 654 " (cutoff:3.500A) Processing sheet with id=483, first strand: chain 'w' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL w 323 " --> pdb=" O ASN w 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN w 320 " --> pdb=" O GLN w 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN w 680 " --> pdb=" O ASN w 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR w 674 " --> pdb=" O VAL w 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU w 686 " --> pdb=" O LYS w 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY w 308 " --> pdb=" O GLN w 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP w 307 " --> pdb=" O SER w 426 " (cutoff:3.500A) Processing sheet with id=484, first strand: chain 'w' and resid 411 through 417 Processing sheet with id=485, first strand: chain 'w' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR w 509 " --> pdb=" O VAL w 520 " (cutoff:3.500A) Processing sheet with id=486, first strand: chain 'w' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN w 489 " --> pdb=" O SER w 539 " (cutoff:3.500A) Processing sheet with id=487, first strand: chain 'w' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY w 580 " --> pdb=" O VAL w 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE w 594 " --> pdb=" O ASP w 584 " (cutoff:3.500A) Processing sheet with id=488, first strand: chain 'w' and resid 621 through 624 No H-bonds generated for sheet with id=488 Processing sheet with id=489, first strand: chain 'w' and resid 239 through 251 Processing sheet with id=490, first strand: chain 'w' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG w 313 " --> pdb=" O GLU w 686 " (cutoff:3.500A) Processing sheet with id=491, first strand: chain 'x' and resid 230 through 235 removed outlier: 6.584A pdb=" N HIS x 230 " --> pdb=" O THR x 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP x 232 " --> pdb=" O THR x 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR x 378 " --> pdb=" O THR x 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE x 276 " --> pdb=" O THR x 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU x 257 " --> pdb=" O PRO x 281 " (cutoff:3.500A) Processing sheet with id=492, first strand: chain 'x' and resid 282 through 285 removed outlier: 4.745A pdb=" N ILE x 649 " --> pdb=" O PHE x 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR x 654 " --> pdb=" O THR x 342 " (cutoff:3.500A) removed outlier: 5.461A pdb=" N THR x 342 " --> pdb=" O THR x 654 " (cutoff:3.500A) Processing sheet with id=493, first strand: chain 'x' and resid 332 through 338 removed outlier: 4.758A pdb=" N VAL x 323 " --> pdb=" O ASN x 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN x 320 " --> pdb=" O GLN x 680 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N GLN x 680 " --> pdb=" O ASN x 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR x 674 " --> pdb=" O VAL x 326 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N GLU x 686 " --> pdb=" O LYS x 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY x 308 " --> pdb=" O GLN x 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP x 307 " --> pdb=" O SER x 426 " (cutoff:3.500A) Processing sheet with id=494, first strand: chain 'x' and resid 411 through 417 Processing sheet with id=495, first strand: chain 'x' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR x 509 " --> pdb=" O VAL x 520 " (cutoff:3.500A) Processing sheet with id=496, first strand: chain 'x' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN x 489 " --> pdb=" O SER x 539 " (cutoff:3.500A) Processing sheet with id=497, first strand: chain 'x' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY x 580 " --> pdb=" O VAL x 598 " (cutoff:3.500A) removed outlier: 6.586A pdb=" N ILE x 594 " --> pdb=" O ASP x 584 " (cutoff:3.500A) Processing sheet with id=498, first strand: chain 'x' and resid 621 through 624 No H-bonds generated for sheet with id=498 Processing sheet with id=499, first strand: chain 'x' and resid 239 through 251 Processing sheet with id=500, first strand: chain 'x' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG x 313 " --> pdb=" O GLU x 686 " (cutoff:3.500A) Processing sheet with id=501, first strand: chain 'y' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS y 230 " --> pdb=" O THR y 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP y 232 " --> pdb=" O THR y 243 " (cutoff:3.500A) removed outlier: 4.855A pdb=" N TYR y 378 " --> pdb=" O THR y 280 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N PHE y 276 " --> pdb=" O THR y 382 " (cutoff:3.500A) removed outlier: 7.191A pdb=" N LEU y 257 " --> pdb=" O PRO y 281 " (cutoff:3.500A) Processing sheet with id=502, first strand: chain 'y' and resid 282 through 285 removed outlier: 4.745A pdb=" N ILE y 649 " --> pdb=" O PHE y 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR y 654 " --> pdb=" O THR y 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR y 342 " --> pdb=" O THR y 654 " (cutoff:3.500A) Processing sheet with id=503, first strand: chain 'y' and resid 332 through 338 removed outlier: 4.758A pdb=" N VAL y 323 " --> pdb=" O ASN y 338 " (cutoff:3.500A) removed outlier: 5.307A pdb=" N ASN y 320 " --> pdb=" O GLN y 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN y 680 " --> pdb=" O ASN y 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR y 674 " --> pdb=" O VAL y 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU y 686 " --> pdb=" O LYS y 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY y 308 " --> pdb=" O GLN y 690 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N TRP y 307 " --> pdb=" O SER y 426 " (cutoff:3.500A) Processing sheet with id=504, first strand: chain 'y' and resid 411 through 417 Processing sheet with id=505, first strand: chain 'y' and resid 509 through 513 removed outlier: 6.158A pdb=" N THR y 509 " --> pdb=" O VAL y 520 " (cutoff:3.500A) Processing sheet with id=506, first strand: chain 'y' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN y 489 " --> pdb=" O SER y 539 " (cutoff:3.500A) Processing sheet with id=507, first strand: chain 'y' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY y 580 " --> pdb=" O VAL y 598 " (cutoff:3.500A) removed outlier: 6.586A pdb=" N ILE y 594 " --> pdb=" O ASP y 584 " (cutoff:3.500A) Processing sheet with id=508, first strand: chain 'y' and resid 621 through 624 No H-bonds generated for sheet with id=508 Processing sheet with id=509, first strand: chain 'y' and resid 239 through 251 Processing sheet with id=510, first strand: chain 'y' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG y 313 " --> pdb=" O GLU y 686 " (cutoff:3.500A) Processing sheet with id=511, first strand: chain 'z' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS z 230 " --> pdb=" O THR z 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP z 232 " --> pdb=" O THR z 243 " (cutoff:3.500A) removed outlier: 4.853A pdb=" N TYR z 378 " --> pdb=" O THR z 280 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N PHE z 276 " --> pdb=" O THR z 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU z 257 " --> pdb=" O PRO z 281 " (cutoff:3.500A) Processing sheet with id=512, first strand: chain 'z' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE z 649 " --> pdb=" O PHE z 285 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N THR z 654 " --> pdb=" O THR z 342 " (cutoff:3.500A) removed outlier: 5.461A pdb=" N THR z 342 " --> pdb=" O THR z 654 " (cutoff:3.500A) Processing sheet with id=513, first strand: chain 'z' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL z 323 " --> pdb=" O ASN z 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN z 320 " --> pdb=" O GLN z 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN z 680 " --> pdb=" O ASN z 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR z 674 " --> pdb=" O VAL z 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU z 686 " --> pdb=" O LYS z 312 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLY z 308 " --> pdb=" O GLN z 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP z 307 " --> pdb=" O SER z 426 " (cutoff:3.500A) Processing sheet with id=514, first strand: chain 'z' and resid 411 through 417 Processing sheet with id=515, first strand: chain 'z' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR z 509 " --> pdb=" O VAL z 520 " (cutoff:3.500A) Processing sheet with id=516, first strand: chain 'z' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN z 489 " --> pdb=" O SER z 539 " (cutoff:3.500A) Processing sheet with id=517, first strand: chain 'z' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY z 580 " --> pdb=" O VAL z 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE z 594 " --> pdb=" O ASP z 584 " (cutoff:3.500A) Processing sheet with id=518, first strand: chain 'z' and resid 621 through 624 No H-bonds generated for sheet with id=518 Processing sheet with id=519, first strand: chain 'z' and resid 239 through 251 Processing sheet with id=520, first strand: chain 'z' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG z 313 " --> pdb=" O GLU z 686 " (cutoff:3.500A) Processing sheet with id=521, first strand: chain '1' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS 1 230 " --> pdb=" O THR 1 245 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N ASP 1 232 " --> pdb=" O THR 1 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR 1 378 " --> pdb=" O THR 1 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE 1 276 " --> pdb=" O THR 1 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU 1 257 " --> pdb=" O PRO 1 281 " (cutoff:3.500A) Processing sheet with id=522, first strand: chain '1' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE 1 649 " --> pdb=" O PHE 1 285 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N THR 1 654 " --> pdb=" O THR 1 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR 1 342 " --> pdb=" O THR 1 654 " (cutoff:3.500A) Processing sheet with id=523, first strand: chain '1' and resid 332 through 338 removed outlier: 4.756A pdb=" N VAL 1 323 " --> pdb=" O ASN 1 338 " (cutoff:3.500A) removed outlier: 5.309A pdb=" N ASN 1 320 " --> pdb=" O GLN 1 680 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N GLN 1 680 " --> pdb=" O ASN 1 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR 1 674 " --> pdb=" O VAL 1 326 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N GLU 1 686 " --> pdb=" O LYS 1 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY 1 308 " --> pdb=" O GLN 1 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP 1 307 " --> pdb=" O SER 1 426 " (cutoff:3.500A) Processing sheet with id=524, first strand: chain '1' and resid 411 through 417 Processing sheet with id=525, first strand: chain '1' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR 1 509 " --> pdb=" O VAL 1 520 " (cutoff:3.500A) Processing sheet with id=526, first strand: chain '1' and resid 536 through 539 removed outlier: 7.248A pdb=" N GLN 1 489 " --> pdb=" O SER 1 539 " (cutoff:3.500A) Processing sheet with id=527, first strand: chain '1' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY 1 580 " --> pdb=" O VAL 1 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE 1 594 " --> pdb=" O ASP 1 584 " (cutoff:3.500A) Processing sheet with id=528, first strand: chain '1' and resid 621 through 624 No H-bonds generated for sheet with id=528 Processing sheet with id=529, first strand: chain '1' and resid 239 through 251 Processing sheet with id=530, first strand: chain '1' and resid 313 through 319 removed outlier: 3.511A pdb=" N ARG 1 313 " --> pdb=" O GLU 1 686 " (cutoff:3.500A) Processing sheet with id=531, first strand: chain '2' and resid 230 through 235 removed outlier: 6.584A pdb=" N HIS 2 230 " --> pdb=" O THR 2 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP 2 232 " --> pdb=" O THR 2 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR 2 378 " --> pdb=" O THR 2 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE 2 276 " --> pdb=" O THR 2 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU 2 257 " --> pdb=" O PRO 2 281 " (cutoff:3.500A) Processing sheet with id=532, first strand: chain '2' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE 2 649 " --> pdb=" O PHE 2 285 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N THR 2 654 " --> pdb=" O THR 2 342 " (cutoff:3.500A) removed outlier: 5.461A pdb=" N THR 2 342 " --> pdb=" O THR 2 654 " (cutoff:3.500A) Processing sheet with id=533, first strand: chain '2' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL 2 323 " --> pdb=" O ASN 2 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN 2 320 " --> pdb=" O GLN 2 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN 2 680 " --> pdb=" O ASN 2 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR 2 674 " --> pdb=" O VAL 2 326 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N GLU 2 686 " --> pdb=" O LYS 2 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY 2 308 " --> pdb=" O GLN 2 690 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N TRP 2 307 " --> pdb=" O SER 2 426 " (cutoff:3.500A) Processing sheet with id=534, first strand: chain '2' and resid 411 through 417 Processing sheet with id=535, first strand: chain '2' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR 2 509 " --> pdb=" O VAL 2 520 " (cutoff:3.500A) Processing sheet with id=536, first strand: chain '2' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN 2 489 " --> pdb=" O SER 2 539 " (cutoff:3.500A) Processing sheet with id=537, first strand: chain '2' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY 2 580 " --> pdb=" O VAL 2 598 " (cutoff:3.500A) removed outlier: 6.586A pdb=" N ILE 2 594 " --> pdb=" O ASP 2 584 " (cutoff:3.500A) Processing sheet with id=538, first strand: chain '2' and resid 621 through 624 No H-bonds generated for sheet with id=538 Processing sheet with id=539, first strand: chain '2' and resid 239 through 251 Processing sheet with id=540, first strand: chain '2' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG 2 313 " --> pdb=" O GLU 2 686 " (cutoff:3.500A) Processing sheet with id=541, first strand: chain '3' and resid 230 through 235 removed outlier: 6.584A pdb=" N HIS 3 230 " --> pdb=" O THR 3 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP 3 232 " --> pdb=" O THR 3 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR 3 378 " --> pdb=" O THR 3 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE 3 276 " --> pdb=" O THR 3 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU 3 257 " --> pdb=" O PRO 3 281 " (cutoff:3.500A) Processing sheet with id=542, first strand: chain '3' and resid 282 through 285 removed outlier: 4.745A pdb=" N ILE 3 649 " --> pdb=" O PHE 3 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR 3 654 " --> pdb=" O THR 3 342 " (cutoff:3.500A) removed outlier: 5.459A pdb=" N THR 3 342 " --> pdb=" O THR 3 654 " (cutoff:3.500A) Processing sheet with id=543, first strand: chain '3' and resid 332 through 338 removed outlier: 4.758A pdb=" N VAL 3 323 " --> pdb=" O ASN 3 338 " (cutoff:3.500A) removed outlier: 5.307A pdb=" N ASN 3 320 " --> pdb=" O GLN 3 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN 3 680 " --> pdb=" O ASN 3 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR 3 674 " --> pdb=" O VAL 3 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU 3 686 " --> pdb=" O LYS 3 312 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLY 3 308 " --> pdb=" O GLN 3 690 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N TRP 3 307 " --> pdb=" O SER 3 426 " (cutoff:3.500A) Processing sheet with id=544, first strand: chain '3' and resid 411 through 417 Processing sheet with id=545, first strand: chain '3' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR 3 509 " --> pdb=" O VAL 3 520 " (cutoff:3.500A) Processing sheet with id=546, first strand: chain '3' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN 3 489 " --> pdb=" O SER 3 539 " (cutoff:3.500A) Processing sheet with id=547, first strand: chain '3' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY 3 580 " --> pdb=" O VAL 3 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE 3 594 " --> pdb=" O ASP 3 584 " (cutoff:3.500A) Processing sheet with id=548, first strand: chain '3' and resid 621 through 624 No H-bonds generated for sheet with id=548 Processing sheet with id=549, first strand: chain '3' and resid 239 through 251 Processing sheet with id=550, first strand: chain '3' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG 3 313 " --> pdb=" O GLU 3 686 " (cutoff:3.500A) Processing sheet with id=551, first strand: chain '4' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS 4 230 " --> pdb=" O THR 4 245 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N ASP 4 232 " --> pdb=" O THR 4 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR 4 378 " --> pdb=" O THR 4 280 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N PHE 4 276 " --> pdb=" O THR 4 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU 4 257 " --> pdb=" O PRO 4 281 " (cutoff:3.500A) Processing sheet with id=552, first strand: chain '4' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE 4 649 " --> pdb=" O PHE 4 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR 4 654 " --> pdb=" O THR 4 342 " (cutoff:3.500A) removed outlier: 5.461A pdb=" N THR 4 342 " --> pdb=" O THR 4 654 " (cutoff:3.500A) Processing sheet with id=553, first strand: chain '4' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL 4 323 " --> pdb=" O ASN 4 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN 4 320 " --> pdb=" O GLN 4 680 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N GLN 4 680 " --> pdb=" O ASN 4 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR 4 674 " --> pdb=" O VAL 4 326 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N GLU 4 686 " --> pdb=" O LYS 4 312 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N GLY 4 308 " --> pdb=" O GLN 4 690 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N TRP 4 307 " --> pdb=" O SER 4 426 " (cutoff:3.500A) Processing sheet with id=554, first strand: chain '4' and resid 411 through 417 Processing sheet with id=555, first strand: chain '4' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR 4 509 " --> pdb=" O VAL 4 520 " (cutoff:3.500A) Processing sheet with id=556, first strand: chain '4' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN 4 489 " --> pdb=" O SER 4 539 " (cutoff:3.500A) Processing sheet with id=557, first strand: chain '4' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY 4 580 " --> pdb=" O VAL 4 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE 4 594 " --> pdb=" O ASP 4 584 " (cutoff:3.500A) Processing sheet with id=558, first strand: chain '4' and resid 621 through 624 No H-bonds generated for sheet with id=558 Processing sheet with id=559, first strand: chain '4' and resid 239 through 251 Processing sheet with id=560, first strand: chain '4' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG 4 313 " --> pdb=" O GLU 4 686 " (cutoff:3.500A) Processing sheet with id=561, first strand: chain '5' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS 5 230 " --> pdb=" O THR 5 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP 5 232 " --> pdb=" O THR 5 243 " (cutoff:3.500A) removed outlier: 4.853A pdb=" N TYR 5 378 " --> pdb=" O THR 5 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE 5 276 " --> pdb=" O THR 5 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU 5 257 " --> pdb=" O PRO 5 281 " (cutoff:3.500A) Processing sheet with id=562, first strand: chain '5' and resid 282 through 285 removed outlier: 4.745A pdb=" N ILE 5 649 " --> pdb=" O PHE 5 285 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N THR 5 654 " --> pdb=" O THR 5 342 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N THR 5 342 " --> pdb=" O THR 5 654 " (cutoff:3.500A) Processing sheet with id=563, first strand: chain '5' and resid 332 through 338 removed outlier: 4.758A pdb=" N VAL 5 323 " --> pdb=" O ASN 5 338 " (cutoff:3.500A) removed outlier: 5.309A pdb=" N ASN 5 320 " --> pdb=" O GLN 5 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN 5 680 " --> pdb=" O ASN 5 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR 5 674 " --> pdb=" O VAL 5 326 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N GLU 5 686 " --> pdb=" O LYS 5 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY 5 308 " --> pdb=" O GLN 5 690 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N TRP 5 307 " --> pdb=" O SER 5 426 " (cutoff:3.500A) Processing sheet with id=564, first strand: chain '5' and resid 411 through 417 Processing sheet with id=565, first strand: chain '5' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR 5 509 " --> pdb=" O VAL 5 520 " (cutoff:3.500A) Processing sheet with id=566, first strand: chain '5' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN 5 489 " --> pdb=" O SER 5 539 " (cutoff:3.500A) Processing sheet with id=567, first strand: chain '5' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY 5 580 " --> pdb=" O VAL 5 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE 5 594 " --> pdb=" O ASP 5 584 " (cutoff:3.500A) Processing sheet with id=568, first strand: chain '5' and resid 621 through 624 No H-bonds generated for sheet with id=568 Processing sheet with id=569, first strand: chain '5' and resid 239 through 251 Processing sheet with id=570, first strand: chain '5' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG 5 313 " --> pdb=" O GLU 5 686 " (cutoff:3.500A) Processing sheet with id=571, first strand: chain '6' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS 6 230 " --> pdb=" O THR 6 245 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N ASP 6 232 " --> pdb=" O THR 6 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR 6 378 " --> pdb=" O THR 6 280 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N PHE 6 276 " --> pdb=" O THR 6 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU 6 257 " --> pdb=" O PRO 6 281 " (cutoff:3.500A) Processing sheet with id=572, first strand: chain '6' and resid 282 through 285 removed outlier: 4.745A pdb=" N ILE 6 649 " --> pdb=" O PHE 6 285 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N THR 6 654 " --> pdb=" O THR 6 342 " (cutoff:3.500A) removed outlier: 5.461A pdb=" N THR 6 342 " --> pdb=" O THR 6 654 " (cutoff:3.500A) Processing sheet with id=573, first strand: chain '6' and resid 332 through 338 removed outlier: 4.758A pdb=" N VAL 6 323 " --> pdb=" O ASN 6 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN 6 320 " --> pdb=" O GLN 6 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN 6 680 " --> pdb=" O ASN 6 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR 6 674 " --> pdb=" O VAL 6 326 " (cutoff:3.500A) removed outlier: 6.562A pdb=" N GLU 6 686 " --> pdb=" O LYS 6 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY 6 308 " --> pdb=" O GLN 6 690 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N TRP 6 307 " --> pdb=" O SER 6 426 " (cutoff:3.500A) Processing sheet with id=574, first strand: chain '6' and resid 411 through 417 Processing sheet with id=575, first strand: chain '6' and resid 509 through 513 removed outlier: 6.160A pdb=" N THR 6 509 " --> pdb=" O VAL 6 520 " (cutoff:3.500A) Processing sheet with id=576, first strand: chain '6' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN 6 489 " --> pdb=" O SER 6 539 " (cutoff:3.500A) Processing sheet with id=577, first strand: chain '6' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY 6 580 " --> pdb=" O VAL 6 598 " (cutoff:3.500A) removed outlier: 6.586A pdb=" N ILE 6 594 " --> pdb=" O ASP 6 584 " (cutoff:3.500A) Processing sheet with id=578, first strand: chain '6' and resid 621 through 624 No H-bonds generated for sheet with id=578 Processing sheet with id=579, first strand: chain '6' and resid 239 through 251 Processing sheet with id=580, first strand: chain '6' and resid 313 through 319 removed outlier: 3.511A pdb=" N ARG 6 313 " --> pdb=" O GLU 6 686 " (cutoff:3.500A) Processing sheet with id=581, first strand: chain '7' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS 7 230 " --> pdb=" O THR 7 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP 7 232 " --> pdb=" O THR 7 243 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N TYR 7 378 " --> pdb=" O THR 7 280 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N PHE 7 276 " --> pdb=" O THR 7 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU 7 257 " --> pdb=" O PRO 7 281 " (cutoff:3.500A) Processing sheet with id=582, first strand: chain '7' and resid 282 through 285 removed outlier: 4.744A pdb=" N ILE 7 649 " --> pdb=" O PHE 7 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR 7 654 " --> pdb=" O THR 7 342 " (cutoff:3.500A) removed outlier: 5.461A pdb=" N THR 7 342 " --> pdb=" O THR 7 654 " (cutoff:3.500A) Processing sheet with id=583, first strand: chain '7' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL 7 323 " --> pdb=" O ASN 7 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN 7 320 " --> pdb=" O GLN 7 680 " (cutoff:3.500A) removed outlier: 4.003A pdb=" N GLN 7 680 " --> pdb=" O ASN 7 320 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N THR 7 674 " --> pdb=" O VAL 7 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU 7 686 " --> pdb=" O LYS 7 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY 7 308 " --> pdb=" O GLN 7 690 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N TRP 7 307 " --> pdb=" O SER 7 426 " (cutoff:3.500A) Processing sheet with id=584, first strand: chain '7' and resid 411 through 417 Processing sheet with id=585, first strand: chain '7' and resid 509 through 513 removed outlier: 6.160A pdb=" N THR 7 509 " --> pdb=" O VAL 7 520 " (cutoff:3.500A) Processing sheet with id=586, first strand: chain '7' and resid 536 through 539 removed outlier: 7.247A pdb=" N GLN 7 489 " --> pdb=" O SER 7 539 " (cutoff:3.500A) Processing sheet with id=587, first strand: chain '7' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY 7 580 " --> pdb=" O VAL 7 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE 7 594 " --> pdb=" O ASP 7 584 " (cutoff:3.500A) Processing sheet with id=588, first strand: chain '7' and resid 621 through 624 No H-bonds generated for sheet with id=588 Processing sheet with id=589, first strand: chain '7' and resid 239 through 251 Processing sheet with id=590, first strand: chain '7' and resid 313 through 319 removed outlier: 3.511A pdb=" N ARG 7 313 " --> pdb=" O GLU 7 686 " (cutoff:3.500A) Processing sheet with id=591, first strand: chain '8' and resid 230 through 235 removed outlier: 6.583A pdb=" N HIS 8 230 " --> pdb=" O THR 8 245 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP 8 232 " --> pdb=" O THR 8 243 " (cutoff:3.500A) removed outlier: 4.853A pdb=" N TYR 8 378 " --> pdb=" O THR 8 280 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N PHE 8 276 " --> pdb=" O THR 8 382 " (cutoff:3.500A) removed outlier: 7.190A pdb=" N LEU 8 257 " --> pdb=" O PRO 8 281 " (cutoff:3.500A) Processing sheet with id=592, first strand: chain '8' and resid 282 through 285 removed outlier: 4.745A pdb=" N ILE 8 649 " --> pdb=" O PHE 8 285 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N THR 8 654 " --> pdb=" O THR 8 342 " (cutoff:3.500A) removed outlier: 5.461A pdb=" N THR 8 342 " --> pdb=" O THR 8 654 " (cutoff:3.500A) Processing sheet with id=593, first strand: chain '8' and resid 332 through 338 removed outlier: 4.757A pdb=" N VAL 8 323 " --> pdb=" O ASN 8 338 " (cutoff:3.500A) removed outlier: 5.308A pdb=" N ASN 8 320 " --> pdb=" O GLN 8 680 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLN 8 680 " --> pdb=" O ASN 8 320 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N THR 8 674 " --> pdb=" O VAL 8 326 " (cutoff:3.500A) removed outlier: 6.561A pdb=" N GLU 8 686 " --> pdb=" O LYS 8 312 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY 8 308 " --> pdb=" O GLN 8 690 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N TRP 8 307 " --> pdb=" O SER 8 426 " (cutoff:3.500A) Processing sheet with id=594, first strand: chain '8' and resid 411 through 417 Processing sheet with id=595, first strand: chain '8' and resid 509 through 513 removed outlier: 6.159A pdb=" N THR 8 509 " --> pdb=" O VAL 8 520 " (cutoff:3.500A) Processing sheet with id=596, first strand: chain '8' and resid 536 through 539 removed outlier: 7.246A pdb=" N GLN 8 489 " --> pdb=" O SER 8 539 " (cutoff:3.500A) Processing sheet with id=597, first strand: chain '8' and resid 580 through 584 removed outlier: 3.790A pdb=" N GLY 8 580 " --> pdb=" O VAL 8 598 " (cutoff:3.500A) removed outlier: 6.585A pdb=" N ILE 8 594 " --> pdb=" O ASP 8 584 " (cutoff:3.500A) Processing sheet with id=598, first strand: chain '8' and resid 621 through 624 No H-bonds generated for sheet with id=598 Processing sheet with id=599, first strand: chain '8' and resid 239 through 251 Processing sheet with id=600, first strand: chain '8' and resid 313 through 319 removed outlier: 3.510A pdb=" N ARG 8 313 " --> pdb=" O GLU 8 686 " (cutoff:3.500A) 5820 hydrogen bonds defined for protein. 16560 hydrogen bond angles defined for protein. Restraints generated for nucleic acids: 0 hydrogen bonds 0 hydrogen bond angles 0 basepair planarities 0 basepair parallelities 0 stacking parallelities Total time for adding SS restraints: 181.41 Time building geometry restraints manager: 73.24 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: 68032 1.33 - 1.45: 52034 1.45 - 1.56: 134694 1.56 - 1.68: 0 1.68 - 1.80: 1380 Bond restraints: 256140 Sorted by residual: bond pdb=" C PRO 6 367 " pdb=" N PHE 6 368 " ideal model delta sigma weight residual 1.332 1.286 0.047 1.44e-02 4.82e+03 1.05e+01 bond pdb=" C PRO k 367 " pdb=" N PHE k 368 " ideal model delta sigma weight residual 1.332 1.286 0.046 1.44e-02 4.82e+03 1.04e+01 bond pdb=" C PRO j 367 " pdb=" N PHE j 368 " ideal model delta sigma weight residual 1.332 1.286 0.046 1.44e-02 4.82e+03 1.03e+01 bond pdb=" C PRO o 367 " pdb=" N PHE o 368 " ideal model delta sigma weight residual 1.332 1.286 0.046 1.44e-02 4.82e+03 1.03e+01 bond pdb=" C PRO C 367 " pdb=" N PHE C 368 " ideal model delta sigma weight residual 1.332 1.286 0.046 1.44e-02 4.82e+03 1.03e+01 ... (remaining 256135 not shown) Histogram of bond angle deviations from ideal: 95.58 - 103.28: 4495 103.28 - 110.98: 96909 110.98 - 118.68: 98566 118.68 - 126.38: 143867 126.38 - 134.08: 5603 Bond angle restraints: 349440 Sorted by residual: angle pdb=" C THR V 347 " pdb=" N ASP V 348 " pdb=" CA ASP V 348 " ideal model delta sigma weight residual 122.42 118.12 4.30 1.33e+00 5.65e-01 1.04e+01 angle pdb=" C THR J 347 " pdb=" N ASP J 348 " pdb=" CA ASP J 348 " ideal model delta sigma weight residual 122.42 118.13 4.29 1.33e+00 5.65e-01 1.04e+01 angle pdb=" C THR r 347 " pdb=" N ASP r 348 " pdb=" CA ASP r 348 " ideal model delta sigma weight residual 122.42 118.14 4.28 1.33e+00 5.65e-01 1.04e+01 angle pdb=" C THR 1 347 " pdb=" N ASP 1 348 " pdb=" CA ASP 1 348 " ideal model delta sigma weight residual 122.42 118.14 4.28 1.33e+00 5.65e-01 1.04e+01 angle pdb=" C THR I 347 " pdb=" N ASP I 348 " pdb=" CA ASP I 348 " ideal model delta sigma weight residual 122.42 118.14 4.28 1.33e+00 5.65e-01 1.04e+01 ... (remaining 349435 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 16.14: 144479 16.14 - 32.28: 4201 32.28 - 48.42: 660 48.42 - 64.56: 180 64.56 - 80.70: 120 Dihedral angle restraints: 149640 sinusoidal: 59400 harmonic: 90240 Sorted by residual: dihedral pdb=" CA ASP O 232 " pdb=" C ASP O 232 " pdb=" N SER O 233 " pdb=" CA SER O 233 " ideal model delta harmonic sigma weight residual 180.00 155.86 24.14 0 5.00e+00 4.00e-02 2.33e+01 dihedral pdb=" CA ASP n 232 " pdb=" C ASP n 232 " pdb=" N SER n 233 " pdb=" CA SER n 233 " ideal model delta harmonic sigma weight residual 180.00 155.86 24.14 0 5.00e+00 4.00e-02 2.33e+01 dihedral pdb=" CA ASP X 232 " pdb=" C ASP X 232 " pdb=" N SER X 233 " pdb=" CA SER X 233 " ideal model delta harmonic sigma weight residual 180.00 155.86 24.14 0 5.00e+00 4.00e-02 2.33e+01 ... (remaining 149637 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.059: 27913 0.059 - 0.118: 7490 0.118 - 0.177: 922 0.177 - 0.236: 155 0.236 - 0.294: 60 Chirality restraints: 36540 Sorted by residual: chirality pdb=" CG LEU G 250 " pdb=" CB LEU G 250 " pdb=" CD1 LEU G 250 " pdb=" CD2 LEU G 250 " both_signs ideal model delta sigma weight residual False -2.59 -2.30 -0.29 2.00e-01 2.50e+01 2.17e+00 chirality pdb=" CG LEU t 250 " pdb=" CB LEU t 250 " pdb=" CD1 LEU t 250 " pdb=" CD2 LEU t 250 " both_signs ideal model delta sigma weight residual False -2.59 -2.30 -0.29 2.00e-01 2.50e+01 2.17e+00 chirality pdb=" CG LEU X 250 " pdb=" CB LEU X 250 " pdb=" CD1 LEU X 250 " pdb=" CD2 LEU X 250 " both_signs ideal model delta sigma weight residual False -2.59 -2.30 -0.29 2.00e-01 2.50e+01 2.16e+00 ... (remaining 36537 not shown) Planarity restraints: 46260 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CB TYR D 351 " 0.025 2.00e-02 2.50e+03 1.89e-02 7.15e+00 pdb=" CG TYR D 351 " -0.046 2.00e-02 2.50e+03 pdb=" CD1 TYR D 351 " 0.009 2.00e-02 2.50e+03 pdb=" CD2 TYR D 351 " 0.001 2.00e-02 2.50e+03 pdb=" CE1 TYR D 351 " -0.002 2.00e-02 2.50e+03 pdb=" CE2 TYR D 351 " 0.007 2.00e-02 2.50e+03 pdb=" CZ TYR D 351 " 0.003 2.00e-02 2.50e+03 pdb=" OH TYR D 351 " 0.003 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CB TYR Y 351 " -0.025 2.00e-02 2.50e+03 1.89e-02 7.14e+00 pdb=" CG TYR Y 351 " 0.046 2.00e-02 2.50e+03 pdb=" CD1 TYR Y 351 " -0.009 2.00e-02 2.50e+03 pdb=" CD2 TYR Y 351 " -0.000 2.00e-02 2.50e+03 pdb=" CE1 TYR Y 351 " 0.002 2.00e-02 2.50e+03 pdb=" CE2 TYR Y 351 " -0.007 2.00e-02 2.50e+03 pdb=" CZ TYR Y 351 " -0.004 2.00e-02 2.50e+03 pdb=" OH TYR Y 351 " -0.003 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CB TYR l 351 " 0.025 2.00e-02 2.50e+03 1.88e-02 7.09e+00 pdb=" CG TYR l 351 " -0.045 2.00e-02 2.50e+03 pdb=" CD1 TYR l 351 " 0.009 2.00e-02 2.50e+03 pdb=" CD2 TYR l 351 " 0.000 2.00e-02 2.50e+03 pdb=" CE1 TYR l 351 " -0.002 2.00e-02 2.50e+03 pdb=" CE2 TYR l 351 " 0.007 2.00e-02 2.50e+03 pdb=" CZ TYR l 351 " 0.004 2.00e-02 2.50e+03 pdb=" OH TYR l 351 " 0.002 2.00e-02 2.50e+03 ... (remaining 46257 not shown) Histogram of nonbonded interaction distances: 2.10 - 2.66: 5682 2.66 - 3.22: 240174 3.22 - 3.78: 408716 3.78 - 4.34: 576529 4.34 - 4.90: 975877 Nonbonded interactions: 2206978 Sorted by model distance: nonbonded pdb=" CB TRP C 505 " pdb=" O4 GAL C 801 " model vdw 2.104 3.440 nonbonded pdb=" CB TRP y 505 " pdb=" O4 GAL y 801 " model vdw 2.105 3.440 nonbonded pdb=" CB TRP f 505 " pdb=" O4 GAL f 801 " model vdw 2.105 3.440 nonbonded pdb=" CB TRP d 505 " pdb=" O4 GAL d 801 " model vdw 2.105 3.440 nonbonded pdb=" CB TRP N 505 " pdb=" O4 GAL N 801 " model vdw 2.105 3.440 ... (remaining 2206973 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Set scattering table Set to: electron Number of scattering types: 4 Type Number sf(0) Gaussians S 840 5.16 5 C 157020 2.51 5 N 42840 2.21 5 O 48000 1.98 5 sf(0) = scattering factor at diffraction angle 0. Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=0.50 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as individual isotropic 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: 2.570 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Construct map_model_manager: 0.190 Extract box with map and model: 28.220 Check model and map are aligned: 2.460 Convert atoms to be neutral: 1.490 Process input model: 663.370 Set up NCS constraints: 1.220 Set refine NCS operators: 0.000 Set scattering table: 0.040 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.030 Load rotamer database and sin/cos tables:1.260 Set ADP refinement strategy: 0.000 Internal consistency checks: 0.000 Total: 700.850 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8581 moved from start: 0.0000 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.011 0.057 256140 Z= 0.699 Angle : 0.888 10.180 349440 Z= 0.481 Chirality : 0.053 0.294 36540 Planarity : 0.005 0.041 46260 Dihedral : 9.149 80.697 92160 Min Nonbonded Distance : 2.104 Molprobity Statistics. All-atom Clashscore : 12.21 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.54 % Favored : 98.46 % Rotamer Outliers : 0.22 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.94 % 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 (0.04), residues: 31080 helix: -4.69 (0.04), residues: 960 sheet: -0.39 (0.04), residues: 9540 loop : -1.17 (0.03), residues: 20580 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 62160 Ramachandran restraints generated. 31080 Oldfield, 0 Emsley, 31080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 62160 Ramachandran restraints generated. 31080 Oldfield, 0 Emsley, 31080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 6082 residues out of total 27060 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 60 poor density : 6022 time to evaluate : 19.534 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 60 outliers final: 0 residues processed: 6082 average time/residue: 1.8409 time to fit residues: 19874.9145 Evaluate side-chains 3034 residues out of total 27060 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 3034 time to evaluate : 19.412 Switching outliers to nearest non-outliers outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 25.9784 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3120 random chunks: chunk 2634 optimal weight: 9.9990 chunk 2364 optimal weight: 7.9990 chunk 1312 optimal weight: 1.9990 chunk 807 optimal weight: 5.9990 chunk 1595 optimal weight: 4.9990 chunk 1263 optimal weight: 1.9990 chunk 2445 optimal weight: 2.9990 chunk 946 optimal weight: 0.9980 chunk 1486 optimal weight: 5.9990 chunk 1820 optimal weight: 20.0000 chunk 2833 optimal weight: 0.9990 overall best weight: 1.7988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 315 ASN A 328 GLN ** A 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 587 GLN A 653 ASN A 737 ASN B 230 HIS B B 315 ASN B 328 GLN ** B 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 601 GLN B 610 GLN B 653 ASN B 737 ASN C 230 HIS B C 315 ASN C 328 GLN ** C 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 431 GLN C 601 GLN C 610 GLN C 653 ASN C 675 GLN C 737 ASN D 315 ASN D 322 GLN D 328 GLN ** D 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 601 GLN D 653 ASN D 737 ASN E 322 GLN E 328 GLN ** E 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 610 GLN E 653 ASN E 737 ASN F 322 GLN F 328 GLN ** F 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 610 GLN F 653 ASN F 706 ASN F 737 ASN G 315 ASN G 322 GLN G 328 GLN ** G 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 601 GLN G 653 ASN G 737 ASN H 315 ASN H 322 GLN H 328 GLN ** H 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 653 ASN H 737 ASN I 315 ASN I 328 GLN I 431 GLN I 601 GLN I 610 GLN I 653 ASN I 737 ASN J 230 HIS B J 315 ASN J 328 GLN ** J 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 610 GLN J 653 ASN J 737 ASN K 315 ASN K 328 GLN K 431 GLN K 601 GLN K 610 GLN K 653 ASN K 675 GLN K 737 ASN L 230 HIS B L 315 ASN L 328 GLN ** L 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 610 GLN L 653 ASN L 737 ASN M 315 ASN M 322 GLN M 328 GLN M 431 GLN M 601 GLN M 653 ASN M 737 ASN N 230 HIS B N 315 ASN N 328 GLN ** N 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 431 GLN N 610 GLN N 653 ASN N 675 GLN N 737 ASN O 230 HIS B O 315 ASN O 328 GLN ** O 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 601 GLN O 610 GLN O 653 ASN O 737 ASN P 315 ASN P 328 GLN ** P 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 587 GLN P 601 GLN P 653 ASN P 737 ASN Q 322 GLN Q 328 GLN ** Q 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 610 GLN Q 653 ASN Q 737 ASN R 315 ASN R 328 GLN ** R 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 587 GLN R 601 GLN R 653 ASN R 737 ASN S 315 ASN S 322 GLN S 328 GLN ** S 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 601 GLN S 653 ASN S 737 ASN T 315 ASN T 322 GLN T 328 GLN T 431 GLN T 601 GLN T 653 ASN T 737 ASN U 315 ASN U 328 GLN ** U 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 431 GLN U 601 GLN U 610 GLN U 653 ASN U 737 ASN V 230 HIS B V 315 ASN V 328 GLN ** V 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 610 GLN V 653 ASN V 737 ASN W 315 ASN W 328 GLN ** W 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 610 GLN W 653 ASN W 737 ASN X 230 HIS B X 315 ASN X 328 GLN ** X 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 610 GLN X 653 ASN X 737 ASN Y 328 GLN ** Y 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 587 GLN Y 653 ASN Y 737 ASN Z 315 ASN Z 328 GLN Z 344 GLN ** Z 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 610 GLN Z 653 ASN Z 706 ASN Z 737 ASN a 315 ASN a 328 GLN ** a 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 587 GLN a 653 ASN a 680 GLN a 737 ASN b 315 ASN b 328 GLN ** b 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 587 GLN b 601 GLN b 653 ASN b 737 ASN c 322 GLN c 328 GLN ** c 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 610 GLN c 653 ASN c 737 ASN d 315 ASN d 328 GLN ** d 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 431 GLN d 610 GLN d 653 ASN d 737 ASN e 230 HIS B e 315 ASN e 328 GLN ** e 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 601 GLN e 610 GLN e 653 ASN e 737 ASN f 315 ASN f 328 GLN ** f 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 431 GLN f 610 GLN f 653 ASN f 737 ASN g 315 ASN g 322 GLN g 328 GLN ** g 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 601 GLN g 653 ASN g 737 ASN h 315 ASN h 328 GLN ** h 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 587 GLN h 601 GLN h 653 ASN h 737 ASN i 322 GLN i 328 GLN ** i 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 610 GLN i 653 ASN i 737 ASN j 322 GLN j 328 GLN ** j 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 610 GLN j 653 ASN j 706 ASN j 737 ASN k 322 GLN k 328 GLN ** k 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 610 GLN k 653 ASN k 737 ASN l 315 ASN l 328 GLN ** l 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 587 GLN l 601 GLN l 653 ASN l 737 ASN m 230 HIS B m 315 ASN m 328 GLN ** m 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 610 GLN m 653 ASN m 737 ASN n 230 HIS B n 315 ASN n 328 GLN ** n 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 610 GLN n 653 ASN n 737 ASN o 322 GLN o 328 GLN ** o 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 610 GLN o 653 ASN o 737 ASN p 322 GLN p 328 GLN ** p 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 610 GLN p 653 ASN p 706 ASN p 737 ASN q 315 ASN q 322 GLN q 328 GLN ** q 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 514 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 653 ASN q 737 ASN r 315 ASN r 328 GLN ** r 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 601 GLN r 610 GLN r 653 ASN r 737 ASN s 315 ASN s 328 GLN ** s 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 587 GLN s 653 ASN s 737 ASN t 230 HIS B t 315 ASN t 328 GLN ** t 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 610 GLN t 653 ASN t 737 ASN u 230 HIS B u 315 ASN u 328 GLN ** u 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 610 GLN u 653 ASN u 737 ASN v 230 HIS B v 315 ASN v 328 GLN ** v 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 601 GLN v 610 GLN v 653 ASN v 737 ASN w 315 ASN w 328 GLN ** w 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 587 GLN w 653 ASN w 737 ASN x 315 ASN x 322 GLN x 328 GLN ** x 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 601 GLN x 653 ASN x 737 ASN y 315 ASN y 328 GLN ** y 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 431 GLN y 601 GLN y 610 GLN y 653 ASN y 737 ASN z 315 ASN z 322 GLN z 328 GLN z 431 GLN z 601 GLN z 653 ASN z 737 ASN 1 315 ASN 1 328 GLN ** 1 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 431 GLN 1 601 GLN 1 610 GLN 1 653 ASN 1 675 GLN 1 737 ASN 2 315 ASN 2 328 GLN ** 2 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 587 GLN 2 601 GLN 2 653 ASN 2 737 ASN 3 322 GLN 3 328 GLN ** 3 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 610 GLN 3 653 ASN 3 737 ASN 4 322 GLN 4 328 GLN ** 4 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 610 GLN 4 653 ASN 4 737 ASN 5 315 ASN 5 328 GLN ** 5 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 431 GLN ** 5 514 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 610 GLN 5 653 ASN 5 675 GLN 5 737 ASN 6 315 ASN 6 328 GLN ** 6 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 587 GLN 6 653 ASN 6 737 ASN 7 230 HIS B 7 315 ASN 7 322 GLN 7 328 GLN ** 7 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 601 GLN 7 653 ASN 7 737 ASN 8 315 ASN 8 322 GLN 8 328 GLN ** 8 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 601 GLN 8 653 ASN 8 737 ASN Total number of N/Q/H flips: 365 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8528 moved from start: 0.2309 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.027 256140 Z= 0.199 Angle : 0.588 7.802 349440 Z= 0.307 Chirality : 0.041 0.133 36540 Planarity : 0.004 0.032 46260 Dihedral : 5.541 45.390 34680 Min Nonbonded Distance : 2.146 Molprobity Statistics. All-atom Clashscore : 10.28 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.21 % Favored : 98.79 % Rotamer Outliers : 1.90 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.94 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.73 (0.04), residues: 31080 helix: -2.56 (0.11), residues: 1320 sheet: 0.02 (0.05), residues: 8520 loop : -0.54 (0.04), residues: 21240 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 62160 Ramachandran restraints generated. 31080 Oldfield, 0 Emsley, 31080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 62160 Ramachandran restraints generated. 31080 Oldfield, 0 Emsley, 31080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 4904 residues out of total 27060 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 516 poor density : 4388 time to evaluate : 21.874 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: 516 outliers final: 407 residues processed: 4660 average time/residue: 1.8214 time to fit residues: 15263.8539 Evaluate side-chains 3619 residues out of total 27060 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 407 poor density : 3212 time to evaluate : 19.223 Switching outliers to nearest non-outliers outliers start: 407 outliers final: 0 residues processed: 407 average time/residue: 1.5459 time to fit residues: 1232.0852 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3120 random chunks: chunk 1574 optimal weight: 3.9990 chunk 879 optimal weight: 10.0000 chunk 2358 optimal weight: 6.9990 chunk 1929 optimal weight: 9.9990 chunk 781 optimal weight: 9.9990 chunk 2838 optimal weight: 10.0000 chunk 3066 optimal weight: 9.9990 chunk 2527 optimal weight: 9.9990 chunk 2814 optimal weight: 5.9990 chunk 967 optimal weight: 5.9990 chunk 2277 optimal weight: 6.9990 overall best weight: 5.9990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 315 ASN ** A 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 472 ASN A 589 GLN A 675 GLN B 315 ASN B 352 GLN B 431 GLN B 601 GLN ** C 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 601 GLN E 315 ASN E 424 HIS E 737 ASN F 315 ASN F 424 HIS F 737 ASN J 315 ASN J 352 GLN J 431 GLN J 452 GLN ** K 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 315 ASN L 352 GLN ** L 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 601 GLN ** N 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 452 GLN O 315 ASN O 352 GLN ** O 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 452 GLN O 601 GLN P 315 ASN P 431 GLN P 452 GLN P 589 GLN P 601 GLN P 675 GLN Q 315 ASN Q 424 HIS Q 737 ASN R 315 ASN ** R 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 472 ASN R 589 GLN R 601 GLN R 675 GLN T 601 GLN ** U 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 315 ASN V 352 GLN V 431 GLN V 452 GLN ** W 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 315 ASN X 352 GLN ** X 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 315 ASN Y 431 GLN Y 675 GLN Z 344 GLN Z 675 GLN a 315 ASN a 431 GLN a 452 GLN a 587 GLN a 589 GLN a 675 GLN b 315 ASN b 431 GLN b 589 GLN b 601 GLN b 675 GLN c 315 ASN c 424 HIS c 737 ASN ** d 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 315 ASN e 352 GLN e 431 GLN e 452 GLN e 601 GLN ** f 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 452 GLN g 601 GLN h 315 ASN h 431 GLN h 452 GLN h 589 GLN h 601 GLN h 675 GLN i 315 ASN i 424 HIS i 737 ASN j 315 ASN j 424 HIS j 737 ASN k 315 ASN k 424 HIS k 737 ASN l 315 ASN ** l 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 472 ASN l 589 GLN l 601 GLN l 675 GLN m 315 ASN ** m 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 315 ASN n 431 GLN n 452 GLN n 675 GLN o 315 ASN o 424 HIS o 737 ASN p 315 ASN p 424 HIS p 737 ASN ** r 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 315 ASN s 431 GLN s 472 ASN s 589 GLN s 675 GLN t 315 ASN t 352 GLN ** t 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 452 GLN u 315 ASN u 352 GLN ** u 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 315 ASN v 352 GLN v 431 GLN v 601 GLN w 315 ASN w 431 GLN w 452 GLN w 472 ASN w 589 GLN w 675 GLN x 431 GLN z 601 GLN ** 1 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 315 ASN 2 431 GLN 2 587 GLN 2 601 GLN 2 675 GLN 3 315 ASN 3 424 HIS 3 737 ASN 4 315 ASN 4 424 HIS 4 737 ASN ** 5 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 315 ASN 6 431 GLN 6 452 GLN 6 472 ASN 6 587 GLN 6 589 GLN 6 675 GLN Total number of N/Q/H flips: 145 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8636 moved from start: 0.2538 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.007 0.049 256140 Z= 0.474 Angle : 0.656 7.473 349440 Z= 0.343 Chirality : 0.044 0.147 36540 Planarity : 0.005 0.031 46260 Dihedral : 5.739 51.420 34680 Min Nonbonded Distance : 2.110 Molprobity Statistics. All-atom Clashscore : 10.17 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.93 % Favored : 99.07 % Rotamer Outliers : 2.53 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.94 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.49 (0.04), residues: 31080 helix: -1.50 (0.16), residues: 960 sheet: 0.05 (0.05), residues: 8940 loop : -0.41 (0.04), residues: 21180 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 62160 Ramachandran restraints generated. 31080 Oldfield, 0 Emsley, 31080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 62160 Ramachandran restraints generated. 31080 Oldfield, 0 Emsley, 31080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3692 residues out of total 27060 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 689 poor density : 3003 time to evaluate : 19.396 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 689 outliers final: 540 residues processed: 3452 average time/residue: 1.7889 time to fit residues: 11103.1971 Evaluate side-chains 3137 residues out of total 27060 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 540 poor density : 2597 time to evaluate : 19.362 Switching outliers to nearest non-outliers outliers start: 540 outliers final: 0 residues processed: 540 average time/residue: 1.5141 time to fit residues: 1604.7621 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3120 random chunks: chunk 2804 optimal weight: 3.9990 chunk 2134 optimal weight: 5.9990 chunk 1473 optimal weight: 3.9990 chunk 314 optimal weight: 6.9990 chunk 1354 optimal weight: 6.9990 chunk 1905 optimal weight: 7.9990 chunk 2848 optimal weight: 8.9990 chunk 3015 optimal weight: 0.9990 chunk 1488 optimal weight: 0.9990 chunk 2699 optimal weight: 9.9990 chunk 812 optimal weight: 10.0000 overall best weight: 3.1990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 315 ASN A 431 GLN A 587 GLN A 589 GLN A 706 ASN B 315 ASN B 548 GLN ** C 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 315 ASN D 431 GLN E 702 GLN G 315 ASN G 601 GLN H 315 ASN H 431 GLN H 601 GLN ** I 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 315 ASN J 548 GLN ** K 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 315 ASN L 431 GLN L 548 GLN M 315 ASN ** N 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 315 ASN O 431 GLN O 548 GLN P 315 ASN P 587 GLN P 589 GLN P 706 ASN Q 702 GLN R 315 ASN R 431 GLN R 587 GLN R 589 GLN R 706 ASN S 315 ASN S 431 GLN S 601 GLN T 315 ASN ** U 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 315 ASN V 548 GLN ** W 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 315 ASN X 431 GLN X 548 GLN Y 587 GLN Y 589 GLN Z 404 GLN ** Z 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 702 GLN a 315 ASN a 587 GLN a 589 GLN a 706 ASN b 315 ASN b 587 GLN b 589 GLN b 706 ASN c 702 GLN ** d 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 315 ASN e 548 GLN ** f 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 315 ASN g 431 GLN h 315 ASN h 587 GLN h 589 GLN h 706 ASN i 702 GLN j 702 GLN l 315 ASN l 431 GLN l 587 GLN l 589 GLN l 706 ASN m 315 ASN m 431 GLN m 452 GLN m 548 GLN n 315 ASN n 548 GLN o 702 GLN p 702 GLN q 315 ASN q 431 GLN q 601 GLN ** r 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 315 ASN s 587 GLN s 589 GLN s 706 ASN t 315 ASN t 431 GLN t 548 GLN u 315 ASN u 431 GLN u 548 GLN v 315 ASN v 548 GLN w 315 ASN w 587 GLN w 589 GLN x 315 ASN x 601 GLN ** y 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 315 ASN ** 1 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 315 ASN 2 589 GLN 2 706 ASN 3 702 GLN ** 5 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 315 ASN 6 587 GLN 6 589 GLN 6 706 ASN 7 315 ASN 7 431 GLN 7 601 GLN 8 230 HIS B 8 315 ASN 8 431 GLN 8 601 GLN Total number of N/Q/H flips: 115 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8608 moved from start: 0.2849 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.042 256140 Z= 0.276 Angle : 0.561 7.478 349440 Z= 0.292 Chirality : 0.041 0.135 36540 Planarity : 0.004 0.030 46260 Dihedral : 5.158 45.187 34680 Min Nonbonded Distance : 2.138 Molprobity Statistics. All-atom Clashscore : 9.18 Ramachandran Plot: Outliers : 0.00 % Allowed : 0.97 % Favored : 99.03 % Rotamer Outliers : 0.87 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.94 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.33 (0.04), residues: 31080 helix: -1.32 (0.15), residues: 1320 sheet: 0.23 (0.05), residues: 8700 loop : -0.30 (0.04), residues: 21060 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 62160 Ramachandran restraints generated. 31080 Oldfield, 0 Emsley, 31080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 62160 Ramachandran restraints generated. 31080 Oldfield, 0 Emsley, 31080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3229 residues out of total 27060 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 225 poor density : 3004 time to evaluate : 19.665 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: 225 outliers final: 117 residues processed: 3154 average time/residue: 1.9979 time to fit residues: 11456.7568 Evaluate side-chains 2788 residues out of total 27060 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 117 poor density : 2671 time to evaluate : 19.219 Switching outliers to nearest non-outliers outliers start: 117 outliers final: 0 residues processed: 117 average time/residue: 1.6592 time to fit residues: 399.5652 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3120 random chunks: chunk 2511 optimal weight: 1.9990 chunk 1711 optimal weight: 8.9990 chunk 43 optimal weight: 0.9980 chunk 2245 optimal weight: 1.9990 chunk 1244 optimal weight: 2.9990 chunk 2573 optimal weight: 9.9990 chunk 2084 optimal weight: 10.0000 chunk 3 optimal weight: 0.9990 chunk 1539 optimal weight: 10.0000 chunk 2706 optimal weight: 5.9990 chunk 761 optimal weight: 20.0000 overall best weight: 1.7988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 315 ASN A 589 GLN A 680 GLN A 706 ASN B 315 ASN ** B 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 452 GLN ** B 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 452 GLN ** C 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 315 ASN F 472 ASN G 315 ASN H 315 ASN ** I 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 315 ASN ** J 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 452 GLN ** K 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 315 ASN ** L 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 315 ASN ** N 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 315 ASN ** O 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 230 HIS B P 315 ASN P 587 GLN P 589 GLN P 706 ASN Q 230 HIS B R 315 ASN R 589 GLN R 706 ASN S 315 ASN T 315 ASN ** U 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 452 GLN V 315 ASN ** V 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 452 GLN X 315 ASN ** X 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 589 GLN Z 388 GLN Z 472 ASN a 315 ASN a 587 GLN a 589 GLN a 706 ASN b 315 ASN b 589 GLN b 706 ASN ** d 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 452 GLN e 315 ASN ** e 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 315 ASN h 315 ASN h 587 GLN h 589 GLN h 706 ASN i 230 HIS B l 315 ASN l 589 GLN l 706 ASN m 315 ASN ** m 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 315 ASN ** n 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 472 ASN p 472 ASN q 315 ASN ** r 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 452 GLN s 315 ASN s 589 GLN s 706 ASN t 315 ASN ** t 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 315 ASN ** u 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 315 ASN ** v 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 452 GLN ** v 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 315 ASN w 452 GLN w 589 GLN x 315 ASN ** y 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 452 GLN z 315 ASN ** 1 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 452 GLN ** 1 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 315 ASN 2 680 GLN 2 706 ASN 3 472 ASN 4 472 ASN ** 5 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 452 GLN ** 5 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 315 ASN 6 587 GLN 6 589 GLN 6 706 ASN 7 315 ASN 8 315 ASN Total number of N/Q/H flips: 84 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8573 moved from start: 0.3158 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.028 256140 Z= 0.181 Angle : 0.515 7.557 349440 Z= 0.267 Chirality : 0.040 0.129 36540 Planarity : 0.004 0.029 46260 Dihedral : 4.645 36.146 34680 Min Nonbonded Distance : 2.159 Molprobity Statistics. All-atom Clashscore : 8.89 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.25 % Favored : 98.75 % Rotamer Outliers : 1.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.94 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.08 (0.05), residues: 31080 helix: -0.32 (0.16), residues: 960 sheet: 0.39 (0.05), residues: 8700 loop : -0.19 (0.04), residues: 21420 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 62160 Ramachandran restraints generated. 31080 Oldfield, 0 Emsley, 31080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 62160 Ramachandran restraints generated. 31080 Oldfield, 0 Emsley, 31080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3400 residues out of total 27060 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 260 poor density : 3140 time to evaluate : 19.480 Fit side-chains outliers start: 260 outliers final: 131 residues processed: 3286 average time/residue: 1.8048 time to fit residues: 10604.8209 Evaluate side-chains 3039 residues out of total 27060 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 131 poor density : 2908 time to evaluate : 19.200 Switching outliers to nearest non-outliers outliers start: 131 outliers final: 0 residues processed: 131 average time/residue: 1.5056 time to fit residues: 407.8167 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3120 random chunks: chunk 1014 optimal weight: 9.9990 chunk 2715 optimal weight: 10.0000 chunk 596 optimal weight: 9.9990 chunk 1770 optimal weight: 6.9990 chunk 744 optimal weight: 10.0000 chunk 3018 optimal weight: 5.9990 chunk 2505 optimal weight: 5.9990 chunk 1397 optimal weight: 3.9990 chunk 250 optimal weight: 0.8980 chunk 998 optimal weight: 0.4980 chunk 1584 optimal weight: 6.9990 overall best weight: 3.4786 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 315 ASN A 472 ASN A 589 GLN A 706 ASN B 315 ASN B 337 ASN ** B 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 337 ASN ** C 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 315 ASN E 337 ASN E 706 ASN F 337 ASN G 315 ASN G 352 GLN H 315 ASN H 352 GLN I 337 ASN I 452 GLN J 315 ASN J 337 ASN ** J 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 230 HIS B K 337 ASN ** K 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 315 ASN L 337 ASN ** L 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 315 ASN M 706 ASN N 337 ASN ** N 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 315 ASN O 337 ASN O 344 GLN ** O 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 315 ASN P 589 GLN P 706 ASN Q 337 ASN Q 706 ASN R 230 HIS B R 315 ASN R 589 GLN R 706 ASN S 315 ASN S 352 GLN T 315 ASN T 352 GLN U 337 ASN V 315 ASN ** V 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 337 ASN X 337 ASN ** X 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 589 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 589 GLN Z 452 GLN a 230 HIS B a 315 ASN a 452 GLN a 589 GLN a 706 ASN b 230 HIS B b 315 ASN b 589 GLN b 706 ASN c 337 ASN c 706 ASN d 337 ASN ** d 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 315 ASN e 337 ASN ** e 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 337 ASN g 315 ASN g 352 GLN h 315 ASN h 589 GLN h 706 ASN i 337 ASN i 706 ASN j 337 ASN k 337 ASN k 706 ASN l 230 HIS B l 315 ASN l 589 GLN l 706 ASN m 315 ASN m 337 ASN m 344 GLN m 352 GLN ** m 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 315 ASN n 344 GLN ** n 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 337 ASN o 706 ASN p 337 ASN q 315 ASN q 352 GLN r 337 ASN s 315 ASN s 589 GLN s 706 ASN t 315 ASN t 337 ASN t 344 GLN ** t 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 315 ASN u 337 ASN ** u 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 315 ASN v 337 ASN ** v 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 315 ASN w 472 ASN w 589 GLN x 315 ASN x 352 GLN y 337 ASN z 315 ASN 1 230 HIS B 1 337 ASN ** 1 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 230 HIS B 2 315 ASN 2 706 ASN 3 706 ASN 4 337 ASN 4 706 ASN 5 230 HIS B 5 337 ASN ** 5 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 230 HIS B 6 315 ASN 6 452 GLN 6 589 GLN 6 706 ASN 7 315 ASN 7 352 GLN 8 315 ASN 8 352 GLN Total number of N/Q/H flips: 125 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8612 moved from start: 0.3102 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.033 256140 Z= 0.291 Angle : 0.549 7.673 349440 Z= 0.286 Chirality : 0.041 0.130 36540 Planarity : 0.004 0.029 46260 Dihedral : 4.803 36.102 34680 Min Nonbonded Distance : 2.135 Molprobity Statistics. All-atom Clashscore : 8.78 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.16 % Favored : 98.84 % Rotamer Outliers : 1.52 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.94 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.12 (0.05), residues: 31080 helix: -1.29 (0.15), residues: 1320 sheet: 0.68 (0.06), residues: 6900 loop : -0.22 (0.04), residues: 22860 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 62160 Ramachandran restraints generated. 31080 Oldfield, 0 Emsley, 31080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 62160 Ramachandran restraints generated. 31080 Oldfield, 0 Emsley, 31080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3211 residues out of total 27060 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 390 poor density : 2821 time to evaluate : 21.923 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 390 outliers final: 266 residues processed: 3061 average time/residue: 2.0063 time to fit residues: 11090.3221 Evaluate side-chains 2956 residues out of total 27060 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 266 poor density : 2690 time to evaluate : 19.137 Switching outliers to nearest non-outliers outliers start: 266 outliers final: 0 residues processed: 266 average time/residue: 1.7665 time to fit residues: 910.5087 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3120 random chunks: chunk 2910 optimal weight: 4.9990 chunk 340 optimal weight: 0.6980 chunk 1719 optimal weight: 0.0270 chunk 2204 optimal weight: 6.9990 chunk 1708 optimal weight: 10.0000 chunk 2541 optimal weight: 4.9990 chunk 1685 optimal weight: 9.9990 chunk 3007 optimal weight: 3.9990 chunk 1881 optimal weight: 10.0000 chunk 1833 optimal weight: 0.9990 chunk 1388 optimal weight: 0.9990 overall best weight: 1.3444 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 315 ASN A 589 GLN B 315 ASN ** B 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 589 GLN ** C 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 337 ASN E 388 GLN E 706 ASN F 337 ASN F 388 GLN J 315 ASN J 344 GLN ** J 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 315 ASN ** L 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 706 ASN ** N 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 315 ASN ** O 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 315 ASN P 452 GLN P 589 GLN Q 337 ASN Q 388 GLN Q 706 ASN R 315 ASN R 472 ASN R 589 GLN U 230 HIS B V 315 ASN V 337 ASN V 344 GLN ** V 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 344 GLN ** X 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 589 GLN Y 706 ASN a 315 ASN a 589 GLN b 315 ASN b 589 GLN c 337 ASN c 388 GLN c 706 ASN ** d 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 315 ASN ** e 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 472 ASN ** g 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 315 ASN h 452 GLN h 589 GLN i 337 ASN i 388 GLN i 706 ASN j 337 ASN j 388 GLN k 337 ASN k 388 GLN k 706 ASN l 315 ASN l 472 ASN l 589 GLN m 315 ASN ** m 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 589 GLN n 315 ASN ** n 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 388 GLN o 706 ASN p 337 ASN p 388 GLN s 315 ASN s 472 ASN s 589 GLN t 315 ASN ** t 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 315 ASN ** u 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 315 ASN ** v 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 472 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 589 GLN w 315 ASN w 589 GLN w 706 ASN ** 1 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 315 ASN 3 388 GLN 3 706 ASN 4 337 ASN 4 388 GLN 4 706 ASN ** 5 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 315 ASN 6 472 ASN 6 589 GLN Total number of N/Q/H flips: 79 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8557 moved from start: 0.3411 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.002 0.031 256140 Z= 0.151 Angle : 0.494 7.564 349440 Z= 0.256 Chirality : 0.039 0.125 36540 Planarity : 0.003 0.028 46260 Dihedral : 4.287 29.704 34680 Min Nonbonded Distance : 2.155 Molprobity Statistics. All-atom Clashscore : 8.45 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.57 % Favored : 98.43 % Rotamer Outliers : 0.65 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.94 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.04 (0.05), residues: 31080 helix: -0.13 (0.17), residues: 960 sheet: 0.57 (0.06), residues: 7320 loop : -0.12 (0.04), residues: 22800 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 62160 Ramachandran restraints generated. 31080 Oldfield, 0 Emsley, 31080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 62160 Ramachandran restraints generated. 31080 Oldfield, 0 Emsley, 31080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3533 residues out of total 27060 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 154 poor density : 3379 time to evaluate : 19.704 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 154 outliers final: 102 residues processed: 3461 average time/residue: 1.8909 time to fit residues: 11711.6424 Evaluate side-chains 3172 residues out of total 27060 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 102 poor density : 3070 time to evaluate : 19.283 Switching outliers to nearest non-outliers outliers start: 102 outliers final: 0 residues processed: 102 average time/residue: 1.7022 time to fit residues: 349.3303 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3120 random chunks: chunk 1860 optimal weight: 8.9990 chunk 1200 optimal weight: 9.9990 chunk 1796 optimal weight: 9.9990 chunk 905 optimal weight: 9.9990 chunk 590 optimal weight: 10.0000 chunk 582 optimal weight: 6.9990 chunk 1911 optimal weight: 10.0000 chunk 2048 optimal weight: 7.9990 chunk 1486 optimal weight: 10.0000 chunk 280 optimal weight: 7.9990 chunk 2363 optimal weight: 20.0000 overall best weight: 8.3990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 589 GLN B 315 ASN ** B 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 315 ASN C 337 ASN D 293 HIS D 352 GLN D 431 GLN D 706 ASN E 291 HIS E 337 ASN F 291 HIS F 337 ASN G 293 HIS G 706 ASN H 431 GLN H 706 ASN I 337 ASN J 315 ASN ** J 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 337 ASN L 315 ASN ** L 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 293 HIS M 352 GLN M 706 ASN N 337 ASN O 315 ASN ** O 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 589 GLN Q 230 HIS B Q 291 HIS ** Q 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 589 GLN S 431 GLN S 706 ASN T 293 HIS T 706 ASN ** U 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** V 315 ASN W 337 ASN ** X 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 589 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 589 GLN Z 291 HIS Z 452 GLN Z 472 ASN a 589 GLN b 589 GLN c 291 HIS c 337 ASN d 337 ASN ** d 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 315 ASN ** e 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 472 ASN f 337 ASN g 431 GLN g 706 ASN h 589 GLN i 230 HIS B i 291 HIS ** i 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 291 HIS j 337 ASN k 291 HIS k 337 ASN l 589 GLN m 315 ASN m 337 ASN n 315 ASN o 291 HIS o 337 ASN p 291 HIS ** p 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 431 GLN q 706 ASN s 589 GLN t 315 ASN ** t 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 315 ASN ** u 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 315 ASN ** v 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 315 ASN w 589 GLN x 706 ASN y 337 ASN z 293 HIS z 352 GLN z 706 ASN 1 337 ASN 3 291 HIS 4 291 HIS 4 337 ASN 5 315 ASN 5 337 ASN 6 589 GLN 7 230 HIS B 7 431 GLN 7 706 ASN 8 431 GLN 8 706 ASN Total number of N/Q/H flips: 88 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8672 moved from start: 0.3118 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.010 0.055 256140 Z= 0.632 Angle : 0.679 7.721 349440 Z= 0.355 Chirality : 0.046 0.147 36540 Planarity : 0.004 0.031 46260 Dihedral : 5.282 34.257 34680 Min Nonbonded Distance : 2.109 Molprobity Statistics. All-atom Clashscore : 9.16 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.13 % Favored : 97.87 % Rotamer Outliers : 0.99 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.94 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.35 (0.05), residues: 31080 helix: -0.96 (0.17), residues: 960 sheet: 0.18 (0.05), residues: 8220 loop : -0.34 (0.04), residues: 21900 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 62160 Ramachandran restraints generated. 31080 Oldfield, 0 Emsley, 31080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 62160 Ramachandran restraints generated. 31080 Oldfield, 0 Emsley, 31080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2982 residues out of total 27060 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 222 poor density : 2760 time to evaluate : 19.589 Fit side-chains outliers start: 222 outliers final: 166 residues processed: 2852 average time/residue: 1.9548 time to fit residues: 9978.2608 Evaluate side-chains 2799 residues out of total 27060 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 166 poor density : 2633 time to evaluate : 19.681 Switching outliers to nearest non-outliers outliers start: 166 outliers final: 0 residues processed: 166 average time/residue: 1.6456 time to fit residues: 547.6400 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3120 random chunks: chunk 2735 optimal weight: 6.9990 chunk 2880 optimal weight: 3.9990 chunk 2628 optimal weight: 5.9990 chunk 2802 optimal weight: 2.9990 chunk 1686 optimal weight: 5.9990 chunk 1220 optimal weight: 7.9990 chunk 2200 optimal weight: 2.9990 chunk 859 optimal weight: 8.9990 chunk 2532 optimal weight: 2.9990 chunk 2650 optimal weight: 0.9990 chunk 2792 optimal weight: 5.9990 overall best weight: 2.7990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 315 ASN B 315 ASN ** B 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 706 ASN G 706 ASN H 706 ASN J 315 ASN ** J 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 315 ASN ** L 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 315 ASN ** O 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 548 GLN P 315 ASN Q 337 ASN S 431 GLN S 706 ASN T 706 ASN U 337 ASN V 315 ASN V 337 ASN ** X 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 548 GLN a 315 ASN b 315 ASN c 337 ASN ** d 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 315 ASN e 337 ASN g 706 ASN h 315 ASN i 337 ASN ** j 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 315 ASN m 315 ASN ** m 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 315 ASN p 337 ASN q 706 ASN ** s 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 315 ASN ** t 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 315 ASN u 337 ASN u 548 GLN v 315 ASN ** v 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 230 HIS B x 706 ASN z 706 ASN 2 315 ASN ** 4 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 452 GLN ** 5 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 315 ASN 7 706 ASN 8 431 GLN 8 706 ASN Total number of N/Q/H flips: 45 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8612 moved from start: 0.3301 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.036 256140 Z= 0.245 Angle : 0.540 8.440 349440 Z= 0.282 Chirality : 0.040 0.139 36540 Planarity : 0.004 0.030 46260 Dihedral : 4.664 32.024 34680 Min Nonbonded Distance : 2.151 Molprobity Statistics. All-atom Clashscore : 8.85 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.52 % Favored : 98.48 % Rotamer Outliers : 0.35 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.94 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.20 (0.05), residues: 31080 helix: -0.46 (0.17), residues: 960 sheet: 0.62 (0.06), residues: 6900 loop : -0.35 (0.04), residues: 23220 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 62160 Ramachandran restraints generated. 31080 Oldfield, 0 Emsley, 31080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 62160 Ramachandran restraints generated. 31080 Oldfield, 0 Emsley, 31080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2872 residues out of total 27060 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 46 poor density : 2826 time to evaluate : 19.476 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 46 outliers final: 31 residues processed: 2853 average time/residue: 1.9610 time to fit residues: 10060.8123 Evaluate side-chains 2691 residues out of total 27060 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 31 poor density : 2660 time to evaluate : 19.413 Switching outliers to nearest non-outliers outliers start: 31 outliers final: 0 residues processed: 31 average time/residue: 1.6538 time to fit residues: 123.8430 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3120 random chunks: chunk 1840 optimal weight: 0.0030 chunk 2963 optimal weight: 2.9990 chunk 1808 optimal weight: 0.9980 chunk 1405 optimal weight: 9.9990 chunk 2059 optimal weight: 0.4980 chunk 3108 optimal weight: 8.9990 chunk 2860 optimal weight: 20.0000 chunk 2475 optimal weight: 8.9990 chunk 257 optimal weight: 8.9990 chunk 1911 optimal weight: 7.9990 chunk 1517 optimal weight: 9.9990 overall best weight: 2.4994 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 315 ASN A 589 GLN B 315 ASN ** B 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 589 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 337 ASN E 337 ASN F 337 ASN ** H 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 431 GLN I 337 ASN ** I 479 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 337 ASN K 452 GLN ** K 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 337 ASN ** N 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 315 ASN ** O 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 315 ASN P 589 GLN ** Q 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 589 GLN U 337 ASN V 315 ASN ** V 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 337 ASN ** X 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 589 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 589 GLN a 315 ASN a 589 GLN b 315 ASN b 589 GLN c 337 ASN d 337 ASN ** d 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 315 ASN ** e 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 337 ASN ** g 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 431 GLN h 315 ASN h 589 GLN ** i 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 315 ASN l 589 GLN m 315 ASN ** m 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 452 GLN ** m 589 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 315 ASN o 337 ASN ** p 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 589 GLN t 315 ASN ** t 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 315 ASN ** v 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 589 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 589 GLN y 337 ASN 1 337 ASN ** 1 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 315 ASN ** 4 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 337 ASN ** 5 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 315 ASN 6 589 GLN 7 431 GLN Total number of N/Q/H flips: 47 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8603 moved from start: 0.3374 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.038 256140 Z= 0.225 Angle : 0.526 7.499 349440 Z= 0.275 Chirality : 0.040 0.135 36540 Planarity : 0.004 0.031 46260 Dihedral : 4.505 30.116 34680 Min Nonbonded Distance : 2.153 Molprobity Statistics. All-atom Clashscore : 8.66 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.91 % Favored : 98.09 % Rotamer Outliers : 0.43 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.94 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.14 (0.05), residues: 31080 helix: -0.30 (0.17), residues: 960 sheet: 0.46 (0.05), residues: 8100 loop : -0.27 (0.04), residues: 22020 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 62160 Ramachandran restraints generated. 31080 Oldfield, 0 Emsley, 31080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 62160 Ramachandran restraints generated. 31080 Oldfield, 0 Emsley, 31080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2914 residues out of total 27060 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 67 poor density : 2847 time to evaluate : 19.756 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 67 outliers final: 45 residues processed: 2870 average time/residue: 1.9706 time to fit residues: 10153.6025 Evaluate side-chains 2822 residues out of total 27060 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 45 poor density : 2777 time to evaluate : 19.745 Switching outliers to nearest non-outliers outliers start: 45 outliers final: 0 residues processed: 45 average time/residue: 1.6515 time to fit residues: 169.3692 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3120 random chunks: chunk 1966 optimal weight: 0.9990 chunk 2636 optimal weight: 6.9990 chunk 758 optimal weight: 3.9990 chunk 2282 optimal weight: 6.9990 chunk 365 optimal weight: 9.9990 chunk 687 optimal weight: 30.0000 chunk 2479 optimal weight: 3.9990 chunk 1037 optimal weight: 4.9990 chunk 2545 optimal weight: 6.9990 chunk 313 optimal weight: 10.0000 chunk 456 optimal weight: 10.0000 overall best weight: 4.1990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 589 GLN ** B 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 452 GLN E 337 ASN F 337 ASN ** H 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 479 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 548 GLN P 589 GLN ** Q 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 589 GLN ** U 479 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 589 GLN Z 706 ASN a 589 GLN b 589 GLN c 337 ASN ** d 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 589 GLN ** i 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 589 GLN ** m 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 230 HIS B n 337 ASN o 337 ASN ** p 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 589 GLN ** t 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** t 452 GLN ** u 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 337 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 589 GLN ** y 479 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 352 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 452 GLN ** 1 675 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 337 ASN 6 589 GLN Total number of N/Q/H flips: 23 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3286 r_free = 0.3286 target = 0.104651 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 35)----------------| | r_work = 0.3231 r_free = 0.3231 target = 0.101081 restraints weight = 65187.097| |-----------------------------------------------------------------------------| r_work (start): 0.3231 r_work: 0.3172 r_work: 0.3172 GEOMETRY RESTRAINTS LIBRARY: GEOSTD + MONOMER LIBRARY + CDL V1.2 DEVIATIONS FROM IDEAL VALUES - RMSD. RMSZ FOR BONDS AND ANGLES. BOND : 0.005 0.039 256140 Z= 0.341 ANGLE : 0.572 7.514 349440 Z= 0.299 CHIRALITY : 0.041 0.144 36540 PLANARITY : 0.004 0.032 46260 DIHEDRAL : 4.751 30.415 34680 MIN NONBONDED DISTANCE : 2.111 MOLPROBITY STATISTICS. ALL-ATOM CLASHSCORE : 9.03 RAMACHANDRAN PLOT: OUTLIERS : 0.00 % ALLOWED : 2.18 % FAVORED : 97.82 % ROTAMER OUTLIERS : 0.38 % CBETA DEVIATIONS : 0.00 % PEPTIDE PLANE: CIS-PROLINE : 2.94 % CIS-GENERAL : 0.00 % TWISTED PROLINE : 0.00 % TWISTED GENERAL : 0.00 % RAMA-Z (RAMACHANDRAN PLOT Z-SCORE): INTERPRETATION: BAD |RAMA-Z| > 3; SUSPICIOUS 2 < |RAMA-Z| < 3; GOOD |RAMA-Z| < 2. SCORES FOR WHOLE/HELIX/SHEET/LOOP ARE SCALED INDEPENDENTLY; THEREFORE, THE VALUES ARE NOT RELATED IN A SIMPLE MANNER. WHOLE: -0.22 (0.05), RESIDUES: 31080 HELIX: -0.45 (0.17), RESIDUES: 960 SHEET: 0.64 (0.06), RESIDUES: 6900 LOOP : -0.37 (0.04), RESIDUES: 23220 ------------------------------------------------------------------------------- Occupancy refinement ******************** r_start: 0.3180 |-occupancy refinement: start-------------------------------------------------| | r_work = 0.3180 r_free = 0.3180 target_work(ls_wunit_k1) = 0.098 | | occupancies: max = 1.00 min = 0.50 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| |-occupancy refinement: end---------------------------------------------------| | r_work = 0.3180 r_free = 0.3180 target_work(ls_wunit_k1) = 0.098 | | occupancies: max = 1.00 min = 0.40 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| r_final: 0.3180 GEOMETRY RESTRAINTS LIBRARY: GEOSTD + MONOMER LIBRARY + CDL V1.2 DEVIATIONS FROM IDEAL VALUES - RMSD. RMSZ FOR BONDS AND ANGLES. BOND : 0.005 0.039 256140 Z= 0.341 ANGLE : 0.572 7.514 349440 Z= 0.299 CHIRALITY : 0.041 0.144 36540 PLANARITY : 0.004 0.032 46260 DIHEDRAL : 4.751 30.415 34680 MIN NONBONDED DISTANCE : 2.111 MOLPROBITY STATISTICS. ALL-ATOM CLASHSCORE : 9.03 RAMACHANDRAN PLOT: OUTLIERS : 0.00 % ALLOWED : 2.18 % FAVORED : 97.82 % ROTAMER OUTLIERS : 0.38 % CBETA DEVIATIONS : 0.00 % PEPTIDE PLANE: CIS-PROLINE : 2.94 % CIS-GENERAL : 0.00 % TWISTED PROLINE : 0.00 % TWISTED GENERAL : 0.00 % RAMA-Z (RAMACHANDRAN PLOT Z-SCORE): INTERPRETATION: BAD |RAMA-Z| > 3; SUSPICIOUS 2 < |RAMA-Z| < 3; GOOD |RAMA-Z| < 2. SCORES FOR WHOLE/HELIX/SHEET/LOOP ARE SCALED INDEPENDENTLY; THEREFORE, THE VALUES ARE NOT RELATED IN A SIMPLE MANNER. WHOLE: -0.22 (0.05), RESIDUES: 31080 HELIX: -0.45 (0.17), RESIDUES: 960 SHEET: 0.64 (0.06), RESIDUES: 6900 LOOP : -0.37 (0.04), RESIDUES: 23220 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8530 moved from start: 0.3282 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 0.039 256140 Z= 0.341 Angle : 0.572 7.514 349440 Z= 0.299 Chirality : 0.041 0.144 36540 Planarity : 0.004 0.032 46260 Dihedral : 4.751 30.415 34680 Min Nonbonded Distance : 2.111 Molprobity Statistics. All-atom Clashscore : 9.03 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.18 % Favored : 97.82 % Rotamer Outliers : 0.38 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.94 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.22 (0.05), residues: 31080 helix: -0.45 (0.17), residues: 960 sheet: 0.64 (0.06), residues: 6900 loop : -0.37 (0.04), residues: 23220 =============================================================================== Job complete usr+sys time: 144373.75 seconds wall clock time: 2480 minutes 45.69 seconds (148845.69 seconds total)