Starting phenix.real_space_refine on Fri Mar 1 13:21:35 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6wh7_21668/03_2024/6wh7_21668.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6wh7_21668/03_2024/6wh7_21668.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=2.78 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6wh7_21668/03_2024/6wh7_21668.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6wh7_21668/03_2024/6wh7_21668.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6wh7_21668/03_2024/6wh7_21668.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6wh7_21668/03_2024/6wh7_21668.pdb" } resolution = 2.78 write_initial_geo_file = False refinement { macro_cycles = 10 } qi { qm_restraints { package { program = *test } } } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= -0.000 sd= 1.000 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Set scattering table Set to: electron Number of scattering types: 4 Type Number sf(0) Gaussians S 840 5.16 5 C 96180 2.51 5 N 26160 2.21 5 O 28620 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 TYR 60": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 TYR 126": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 TYR 171": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 PHE 228": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 PHE 301": "CD1" <-> "CD2" "CE1" <-> "CE2" Time to flip residues: 0.31s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5238/modules/chem_data/mon_lib" Total number of atoms: 151800 Number of models: 1 Model: "" Number of chains: 60 Chain: "A" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "B" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "C" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "D" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "E" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "F" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "G" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "H" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "I" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "J" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "K" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "L" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "M" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "N" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "O" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "P" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "Q" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "R" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "S" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "T" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "U" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "V" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "W" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "X" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "Y" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "Z" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "1" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "2" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "3" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "4" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "5" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "6" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "a" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "b" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "c" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "d" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "e" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "f" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "g" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "h" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "i" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "j" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "k" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "l" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "m" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "n" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "o" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "p" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "q" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "r" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "s" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "t" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "u" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "v" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "w" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "x" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "y" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "z" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "7" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Chain: "8" Number of atoms: 2530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 317, 2530 Classifications: {'peptide': 317} Link IDs: {'PTRANS': 14, 'TRANS': 302} Chain breaks: 1 Time building chain proxies: 58.42, per 1000 atoms: 0.38 Number of scatterers: 151800 At special positions: 0 Unit cell: (244.629, 244.629, 244.629, 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 28620 8.00 N 26160 7.00 C 96180 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=0, symmetry=0 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.50 Amino acid : False - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=0, symmetry=0 Time building additional restraints: 47.79 Conformation dependent library (CDL) restraints added in 19.7 seconds 37560 Ramachandran restraints generated. 18780 Oldfield, 0 Emsley, 18780 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 35520 Finding SS restraints... Secondary structure from input PDB file: 600 helices and 420 sheets defined 18.9% alpha, 38.5% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 14.42 Creating SS restraints... Processing helix chain 'A' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER A 56 " --> pdb=" O TYR A 52 " (cutoff:3.500A) Processing helix chain 'A' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR A 91 " --> pdb=" O VAL A 87 " (cutoff:3.500A) Processing helix chain 'A' and resid 98 through 103 Processing helix chain 'A' and resid 107 through 114 Processing helix chain 'A' and resid 181 through 183 No H-bonds generated for 'chain 'A' and resid 181 through 183' Processing helix chain 'A' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE A 204 " --> pdb=" O ILE A 200 " (cutoff:3.500A) Processing helix chain 'A' and resid 307 through 310 Processing helix chain 'A' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR A 316 " --> pdb=" O ASN A 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN A 317 " --> pdb=" O SER A 313 " (cutoff:3.500A) Processing helix chain 'A' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP A 326 " --> pdb=" O ASN A 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 322 through 326' Processing helix chain 'A' and resid 354 through 358 Processing helix chain 'B' and resid 52 through 58 removed outlier: 3.871A pdb=" N SER B 56 " --> pdb=" O TYR B 52 " (cutoff:3.500A) Processing helix chain 'B' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR B 91 " --> pdb=" O VAL B 87 " (cutoff:3.500A) Processing helix chain 'B' and resid 98 through 103 Processing helix chain 'B' and resid 107 through 114 Processing helix chain 'B' and resid 181 through 183 No H-bonds generated for 'chain 'B' and resid 181 through 183' Processing helix chain 'B' and resid 200 through 205 removed outlier: 3.810A pdb=" N ILE B 204 " --> pdb=" O ILE B 200 " (cutoff:3.500A) Processing helix chain 'B' and resid 307 through 310 Processing helix chain 'B' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR B 316 " --> pdb=" O ASN B 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN B 317 " --> pdb=" O SER B 313 " (cutoff:3.500A) Processing helix chain 'B' and resid 322 through 326 removed outlier: 3.880A pdb=" N TRP B 326 " --> pdb=" O ASN B 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 322 through 326' Processing helix chain 'B' and resid 354 through 358 Processing helix chain 'C' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER C 56 " --> pdb=" O TYR C 52 " (cutoff:3.500A) Processing helix chain 'C' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR C 91 " --> pdb=" O VAL C 87 " (cutoff:3.500A) Processing helix chain 'C' and resid 98 through 103 Processing helix chain 'C' and resid 107 through 114 Processing helix chain 'C' and resid 181 through 183 No H-bonds generated for 'chain 'C' and resid 181 through 183' Processing helix chain 'C' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE C 204 " --> pdb=" O ILE C 200 " (cutoff:3.500A) Processing helix chain 'C' and resid 307 through 310 Processing helix chain 'C' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR C 316 " --> pdb=" O ASN C 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN C 317 " --> pdb=" O SER C 313 " (cutoff:3.500A) Processing helix chain 'C' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP C 326 " --> pdb=" O ASN C 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 322 through 326' Processing helix chain 'C' and resid 354 through 358 Processing helix chain 'D' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER D 56 " --> pdb=" O TYR D 52 " (cutoff:3.500A) Processing helix chain 'D' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR D 91 " --> pdb=" O VAL D 87 " (cutoff:3.500A) Processing helix chain 'D' and resid 98 through 103 Processing helix chain 'D' and resid 107 through 114 Processing helix chain 'D' and resid 181 through 183 No H-bonds generated for 'chain 'D' and resid 181 through 183' Processing helix chain 'D' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE D 204 " --> pdb=" O ILE D 200 " (cutoff:3.500A) Processing helix chain 'D' and resid 307 through 310 Processing helix chain 'D' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR D 316 " --> pdb=" O ASN D 312 " (cutoff:3.500A) removed outlier: 4.709A pdb=" N ASN D 317 " --> pdb=" O SER D 313 " (cutoff:3.500A) Processing helix chain 'D' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP D 326 " --> pdb=" O ASN D 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 322 through 326' Processing helix chain 'D' and resid 354 through 358 Processing helix chain 'E' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER E 56 " --> pdb=" O TYR E 52 " (cutoff:3.500A) Processing helix chain 'E' and resid 87 through 93 removed outlier: 4.041A pdb=" N TYR E 91 " --> pdb=" O VAL E 87 " (cutoff:3.500A) Processing helix chain 'E' and resid 98 through 103 Processing helix chain 'E' and resid 107 through 114 Processing helix chain 'E' and resid 181 through 183 No H-bonds generated for 'chain 'E' and resid 181 through 183' Processing helix chain 'E' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE E 204 " --> pdb=" O ILE E 200 " (cutoff:3.500A) Processing helix chain 'E' and resid 307 through 310 Processing helix chain 'E' and resid 311 through 319 removed outlier: 4.027A pdb=" N THR E 316 " --> pdb=" O ASN E 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN E 317 " --> pdb=" O SER E 313 " (cutoff:3.500A) Processing helix chain 'E' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP E 326 " --> pdb=" O ASN E 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 322 through 326' Processing helix chain 'E' and resid 354 through 358 Processing helix chain 'F' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER F 56 " --> pdb=" O TYR F 52 " (cutoff:3.500A) Processing helix chain 'F' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR F 91 " --> pdb=" O VAL F 87 " (cutoff:3.500A) Processing helix chain 'F' and resid 98 through 103 Processing helix chain 'F' and resid 107 through 114 Processing helix chain 'F' and resid 181 through 183 No H-bonds generated for 'chain 'F' and resid 181 through 183' Processing helix chain 'F' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE F 204 " --> pdb=" O ILE F 200 " (cutoff:3.500A) Processing helix chain 'F' and resid 307 through 310 Processing helix chain 'F' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR F 316 " --> pdb=" O ASN F 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN F 317 " --> pdb=" O SER F 313 " (cutoff:3.500A) Processing helix chain 'F' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP F 326 " --> pdb=" O ASN F 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'F' and resid 322 through 326' Processing helix chain 'F' and resid 354 through 358 Processing helix chain 'G' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER G 56 " --> pdb=" O TYR G 52 " (cutoff:3.500A) Processing helix chain 'G' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR G 91 " --> pdb=" O VAL G 87 " (cutoff:3.500A) Processing helix chain 'G' and resid 98 through 103 Processing helix chain 'G' and resid 107 through 114 Processing helix chain 'G' and resid 181 through 183 No H-bonds generated for 'chain 'G' and resid 181 through 183' Processing helix chain 'G' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE G 204 " --> pdb=" O ILE G 200 " (cutoff:3.500A) Processing helix chain 'G' and resid 307 through 310 Processing helix chain 'G' and resid 311 through 319 removed outlier: 4.027A pdb=" N THR G 316 " --> pdb=" O ASN G 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN G 317 " --> pdb=" O SER G 313 " (cutoff:3.500A) Processing helix chain 'G' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP G 326 " --> pdb=" O ASN G 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 322 through 326' Processing helix chain 'G' and resid 354 through 358 Processing helix chain 'H' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER H 56 " --> pdb=" O TYR H 52 " (cutoff:3.500A) Processing helix chain 'H' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR H 91 " --> pdb=" O VAL H 87 " (cutoff:3.500A) Processing helix chain 'H' and resid 98 through 103 Processing helix chain 'H' and resid 107 through 114 Processing helix chain 'H' and resid 181 through 183 No H-bonds generated for 'chain 'H' and resid 181 through 183' Processing helix chain 'H' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE H 204 " --> pdb=" O ILE H 200 " (cutoff:3.500A) Processing helix chain 'H' and resid 307 through 310 Processing helix chain 'H' and resid 311 through 319 removed outlier: 4.027A pdb=" N THR H 316 " --> pdb=" O ASN H 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN H 317 " --> pdb=" O SER H 313 " (cutoff:3.500A) Processing helix chain 'H' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP H 326 " --> pdb=" O ASN H 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'H' and resid 322 through 326' Processing helix chain 'H' and resid 354 through 358 Processing helix chain 'I' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER I 56 " --> pdb=" O TYR I 52 " (cutoff:3.500A) Processing helix chain 'I' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR I 91 " --> pdb=" O VAL I 87 " (cutoff:3.500A) Processing helix chain 'I' and resid 98 through 103 Processing helix chain 'I' and resid 107 through 114 Processing helix chain 'I' and resid 181 through 183 No H-bonds generated for 'chain 'I' and resid 181 through 183' Processing helix chain 'I' and resid 200 through 205 removed outlier: 3.810A pdb=" N ILE I 204 " --> pdb=" O ILE I 200 " (cutoff:3.500A) Processing helix chain 'I' and resid 307 through 310 Processing helix chain 'I' and resid 311 through 319 removed outlier: 4.027A pdb=" N THR I 316 " --> pdb=" O ASN I 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN I 317 " --> pdb=" O SER I 313 " (cutoff:3.500A) Processing helix chain 'I' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP I 326 " --> pdb=" O ASN I 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'I' and resid 322 through 326' Processing helix chain 'I' and resid 354 through 358 Processing helix chain 'J' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER J 56 " --> pdb=" O TYR J 52 " (cutoff:3.500A) Processing helix chain 'J' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR J 91 " --> pdb=" O VAL J 87 " (cutoff:3.500A) Processing helix chain 'J' and resid 98 through 103 Processing helix chain 'J' and resid 107 through 114 Processing helix chain 'J' and resid 181 through 183 No H-bonds generated for 'chain 'J' and resid 181 through 183' Processing helix chain 'J' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE J 204 " --> pdb=" O ILE J 200 " (cutoff:3.500A) Processing helix chain 'J' and resid 307 through 310 Processing helix chain 'J' and resid 311 through 319 removed outlier: 4.027A pdb=" N THR J 316 " --> pdb=" O ASN J 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN J 317 " --> pdb=" O SER J 313 " (cutoff:3.500A) Processing helix chain 'J' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP J 326 " --> pdb=" O ASN J 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 322 through 326' Processing helix chain 'J' and resid 354 through 358 Processing helix chain 'K' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER K 56 " --> pdb=" O TYR K 52 " (cutoff:3.500A) Processing helix chain 'K' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR K 91 " --> pdb=" O VAL K 87 " (cutoff:3.500A) Processing helix chain 'K' and resid 98 through 103 Processing helix chain 'K' and resid 107 through 114 Processing helix chain 'K' and resid 181 through 183 No H-bonds generated for 'chain 'K' and resid 181 through 183' Processing helix chain 'K' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE K 204 " --> pdb=" O ILE K 200 " (cutoff:3.500A) Processing helix chain 'K' and resid 307 through 310 Processing helix chain 'K' and resid 311 through 319 removed outlier: 4.027A pdb=" N THR K 316 " --> pdb=" O ASN K 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN K 317 " --> pdb=" O SER K 313 " (cutoff:3.500A) Processing helix chain 'K' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP K 326 " --> pdb=" O ASN K 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'K' and resid 322 through 326' Processing helix chain 'K' and resid 354 through 358 Processing helix chain 'L' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER L 56 " --> pdb=" O TYR L 52 " (cutoff:3.500A) Processing helix chain 'L' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR L 91 " --> pdb=" O VAL L 87 " (cutoff:3.500A) Processing helix chain 'L' and resid 98 through 103 Processing helix chain 'L' and resid 107 through 114 Processing helix chain 'L' and resid 181 through 183 No H-bonds generated for 'chain 'L' and resid 181 through 183' Processing helix chain 'L' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE L 204 " --> pdb=" O ILE L 200 " (cutoff:3.500A) Processing helix chain 'L' and resid 307 through 310 Processing helix chain 'L' and resid 311 through 319 removed outlier: 4.027A pdb=" N THR L 316 " --> pdb=" O ASN L 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN L 317 " --> pdb=" O SER L 313 " (cutoff:3.500A) Processing helix chain 'L' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP L 326 " --> pdb=" O ASN L 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'L' and resid 322 through 326' Processing helix chain 'L' and resid 354 through 358 Processing helix chain 'M' and resid 52 through 58 removed outlier: 3.873A pdb=" N SER M 56 " --> pdb=" O TYR M 52 " (cutoff:3.500A) Processing helix chain 'M' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR M 91 " --> pdb=" O VAL M 87 " (cutoff:3.500A) Processing helix chain 'M' and resid 98 through 103 Processing helix chain 'M' and resid 107 through 114 Processing helix chain 'M' and resid 181 through 183 No H-bonds generated for 'chain 'M' and resid 181 through 183' Processing helix chain 'M' and resid 200 through 205 removed outlier: 3.810A pdb=" N ILE M 204 " --> pdb=" O ILE M 200 " (cutoff:3.500A) Processing helix chain 'M' and resid 307 through 310 Processing helix chain 'M' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR M 316 " --> pdb=" O ASN M 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN M 317 " --> pdb=" O SER M 313 " (cutoff:3.500A) Processing helix chain 'M' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP M 326 " --> pdb=" O ASN M 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'M' and resid 322 through 326' Processing helix chain 'M' and resid 354 through 358 Processing helix chain 'N' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER N 56 " --> pdb=" O TYR N 52 " (cutoff:3.500A) Processing helix chain 'N' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR N 91 " --> pdb=" O VAL N 87 " (cutoff:3.500A) Processing helix chain 'N' and resid 98 through 103 Processing helix chain 'N' and resid 107 through 114 Processing helix chain 'N' and resid 181 through 183 No H-bonds generated for 'chain 'N' and resid 181 through 183' Processing helix chain 'N' and resid 200 through 205 removed outlier: 3.810A pdb=" N ILE N 204 " --> pdb=" O ILE N 200 " (cutoff:3.500A) Processing helix chain 'N' and resid 307 through 310 Processing helix chain 'N' and resid 311 through 319 removed outlier: 4.027A pdb=" N THR N 316 " --> pdb=" O ASN N 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN N 317 " --> pdb=" O SER N 313 " (cutoff:3.500A) Processing helix chain 'N' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP N 326 " --> pdb=" O ASN N 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'N' and resid 322 through 326' Processing helix chain 'N' and resid 354 through 358 Processing helix chain 'O' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER O 56 " --> pdb=" O TYR O 52 " (cutoff:3.500A) Processing helix chain 'O' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR O 91 " --> pdb=" O VAL O 87 " (cutoff:3.500A) Processing helix chain 'O' and resid 98 through 103 Processing helix chain 'O' and resid 107 through 114 Processing helix chain 'O' and resid 181 through 183 No H-bonds generated for 'chain 'O' and resid 181 through 183' Processing helix chain 'O' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE O 204 " --> pdb=" O ILE O 200 " (cutoff:3.500A) Processing helix chain 'O' and resid 307 through 310 Processing helix chain 'O' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR O 316 " --> pdb=" O ASN O 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN O 317 " --> pdb=" O SER O 313 " (cutoff:3.500A) Processing helix chain 'O' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP O 326 " --> pdb=" O ASN O 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'O' and resid 322 through 326' Processing helix chain 'O' and resid 354 through 358 Processing helix chain 'P' and resid 52 through 58 removed outlier: 3.871A pdb=" N SER P 56 " --> pdb=" O TYR P 52 " (cutoff:3.500A) Processing helix chain 'P' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR P 91 " --> pdb=" O VAL P 87 " (cutoff:3.500A) Processing helix chain 'P' and resid 98 through 103 Processing helix chain 'P' and resid 107 through 114 Processing helix chain 'P' and resid 181 through 183 No H-bonds generated for 'chain 'P' and resid 181 through 183' Processing helix chain 'P' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE P 204 " --> pdb=" O ILE P 200 " (cutoff:3.500A) Processing helix chain 'P' and resid 307 through 310 Processing helix chain 'P' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR P 316 " --> pdb=" O ASN P 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN P 317 " --> pdb=" O SER P 313 " (cutoff:3.500A) Processing helix chain 'P' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP P 326 " --> pdb=" O ASN P 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'P' and resid 322 through 326' Processing helix chain 'P' and resid 354 through 358 Processing helix chain 'Q' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER Q 56 " --> pdb=" O TYR Q 52 " (cutoff:3.500A) Processing helix chain 'Q' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR Q 91 " --> pdb=" O VAL Q 87 " (cutoff:3.500A) Processing helix chain 'Q' and resid 98 through 103 Processing helix chain 'Q' and resid 107 through 114 Processing helix chain 'Q' and resid 181 through 183 No H-bonds generated for 'chain 'Q' and resid 181 through 183' Processing helix chain 'Q' and resid 200 through 205 removed outlier: 3.810A pdb=" N ILE Q 204 " --> pdb=" O ILE Q 200 " (cutoff:3.500A) Processing helix chain 'Q' and resid 307 through 310 Processing helix chain 'Q' and resid 311 through 319 removed outlier: 4.027A pdb=" N THR Q 316 " --> pdb=" O ASN Q 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN Q 317 " --> pdb=" O SER Q 313 " (cutoff:3.500A) Processing helix chain 'Q' and resid 322 through 326 removed outlier: 3.878A pdb=" N TRP Q 326 " --> pdb=" O ASN Q 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'Q' and resid 322 through 326' Processing helix chain 'Q' and resid 354 through 358 Processing helix chain 'R' and resid 52 through 58 removed outlier: 3.871A pdb=" N SER R 56 " --> pdb=" O TYR R 52 " (cutoff:3.500A) Processing helix chain 'R' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR R 91 " --> pdb=" O VAL R 87 " (cutoff:3.500A) Processing helix chain 'R' and resid 98 through 103 Processing helix chain 'R' and resid 107 through 114 Processing helix chain 'R' and resid 181 through 183 No H-bonds generated for 'chain 'R' and resid 181 through 183' Processing helix chain 'R' and resid 200 through 205 removed outlier: 3.810A pdb=" N ILE R 204 " --> pdb=" O ILE R 200 " (cutoff:3.500A) Processing helix chain 'R' and resid 307 through 310 Processing helix chain 'R' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR R 316 " --> pdb=" O ASN R 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN R 317 " --> pdb=" O SER R 313 " (cutoff:3.500A) Processing helix chain 'R' and resid 322 through 326 removed outlier: 3.880A pdb=" N TRP R 326 " --> pdb=" O ASN R 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'R' and resid 322 through 326' Processing helix chain 'R' and resid 354 through 358 Processing helix chain 'S' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER S 56 " --> pdb=" O TYR S 52 " (cutoff:3.500A) Processing helix chain 'S' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR S 91 " --> pdb=" O VAL S 87 " (cutoff:3.500A) Processing helix chain 'S' and resid 98 through 103 Processing helix chain 'S' and resid 107 through 114 Processing helix chain 'S' and resid 181 through 183 No H-bonds generated for 'chain 'S' and resid 181 through 183' Processing helix chain 'S' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE S 204 " --> pdb=" O ILE S 200 " (cutoff:3.500A) Processing helix chain 'S' and resid 307 through 310 Processing helix chain 'S' and resid 311 through 319 removed outlier: 4.027A pdb=" N THR S 316 " --> pdb=" O ASN S 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN S 317 " --> pdb=" O SER S 313 " (cutoff:3.500A) Processing helix chain 'S' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP S 326 " --> pdb=" O ASN S 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'S' and resid 322 through 326' Processing helix chain 'S' and resid 354 through 358 Processing helix chain 'T' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER T 56 " --> pdb=" O TYR T 52 " (cutoff:3.500A) Processing helix chain 'T' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR T 91 " --> pdb=" O VAL T 87 " (cutoff:3.500A) Processing helix chain 'T' and resid 98 through 103 Processing helix chain 'T' and resid 107 through 114 Processing helix chain 'T' and resid 181 through 183 No H-bonds generated for 'chain 'T' and resid 181 through 183' Processing helix chain 'T' and resid 200 through 205 removed outlier: 3.810A pdb=" N ILE T 204 " --> pdb=" O ILE T 200 " (cutoff:3.500A) Processing helix chain 'T' and resid 307 through 310 Processing helix chain 'T' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR T 316 " --> pdb=" O ASN T 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN T 317 " --> pdb=" O SER T 313 " (cutoff:3.500A) Processing helix chain 'T' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP T 326 " --> pdb=" O ASN T 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'T' and resid 322 through 326' Processing helix chain 'T' and resid 354 through 358 Processing helix chain 'U' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER U 56 " --> pdb=" O TYR U 52 " (cutoff:3.500A) Processing helix chain 'U' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR U 91 " --> pdb=" O VAL U 87 " (cutoff:3.500A) Processing helix chain 'U' and resid 98 through 103 Processing helix chain 'U' and resid 107 through 114 Processing helix chain 'U' and resid 181 through 183 No H-bonds generated for 'chain 'U' and resid 181 through 183' Processing helix chain 'U' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE U 204 " --> pdb=" O ILE U 200 " (cutoff:3.500A) Processing helix chain 'U' and resid 307 through 310 Processing helix chain 'U' and resid 311 through 319 removed outlier: 4.027A pdb=" N THR U 316 " --> pdb=" O ASN U 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN U 317 " --> pdb=" O SER U 313 " (cutoff:3.500A) Processing helix chain 'U' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP U 326 " --> pdb=" O ASN U 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'U' and resid 322 through 326' Processing helix chain 'U' and resid 354 through 358 Processing helix chain 'V' and resid 52 through 58 removed outlier: 3.871A pdb=" N SER V 56 " --> pdb=" O TYR V 52 " (cutoff:3.500A) Processing helix chain 'V' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR V 91 " --> pdb=" O VAL V 87 " (cutoff:3.500A) Processing helix chain 'V' and resid 98 through 103 Processing helix chain 'V' and resid 107 through 114 Processing helix chain 'V' and resid 181 through 183 No H-bonds generated for 'chain 'V' and resid 181 through 183' Processing helix chain 'V' and resid 200 through 205 removed outlier: 3.810A pdb=" N ILE V 204 " --> pdb=" O ILE V 200 " (cutoff:3.500A) Processing helix chain 'V' and resid 307 through 310 Processing helix chain 'V' and resid 311 through 319 removed outlier: 4.027A pdb=" N THR V 316 " --> pdb=" O ASN V 312 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ASN V 317 " --> pdb=" O SER V 313 " (cutoff:3.500A) Processing helix chain 'V' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP V 326 " --> pdb=" O ASN V 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'V' and resid 322 through 326' Processing helix chain 'V' and resid 354 through 358 Processing helix chain 'W' and resid 52 through 58 removed outlier: 3.871A pdb=" N SER W 56 " --> pdb=" O TYR W 52 " (cutoff:3.500A) Processing helix chain 'W' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR W 91 " --> pdb=" O VAL W 87 " (cutoff:3.500A) Processing helix chain 'W' and resid 98 through 103 Processing helix chain 'W' and resid 107 through 114 Processing helix chain 'W' and resid 181 through 183 No H-bonds generated for 'chain 'W' and resid 181 through 183' Processing helix chain 'W' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE W 204 " --> pdb=" O ILE W 200 " (cutoff:3.500A) Processing helix chain 'W' and resid 307 through 310 Processing helix chain 'W' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR W 316 " --> pdb=" O ASN W 312 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ASN W 317 " --> pdb=" O SER W 313 " (cutoff:3.500A) Processing helix chain 'W' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP W 326 " --> pdb=" O ASN W 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'W' and resid 322 through 326' Processing helix chain 'W' and resid 354 through 358 Processing helix chain 'X' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER X 56 " --> pdb=" O TYR X 52 " (cutoff:3.500A) Processing helix chain 'X' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR X 91 " --> pdb=" O VAL X 87 " (cutoff:3.500A) Processing helix chain 'X' and resid 98 through 103 Processing helix chain 'X' and resid 107 through 114 Processing helix chain 'X' and resid 181 through 183 No H-bonds generated for 'chain 'X' and resid 181 through 183' Processing helix chain 'X' and resid 200 through 205 removed outlier: 3.810A pdb=" N ILE X 204 " --> pdb=" O ILE X 200 " (cutoff:3.500A) Processing helix chain 'X' and resid 307 through 310 Processing helix chain 'X' and resid 311 through 319 removed outlier: 4.027A pdb=" N THR X 316 " --> pdb=" O ASN X 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN X 317 " --> pdb=" O SER X 313 " (cutoff:3.500A) Processing helix chain 'X' and resid 322 through 326 removed outlier: 3.880A pdb=" N TRP X 326 " --> pdb=" O ASN X 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'X' and resid 322 through 326' Processing helix chain 'X' and resid 354 through 358 Processing helix chain 'Y' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER Y 56 " --> pdb=" O TYR Y 52 " (cutoff:3.500A) Processing helix chain 'Y' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR Y 91 " --> pdb=" O VAL Y 87 " (cutoff:3.500A) Processing helix chain 'Y' and resid 98 through 103 Processing helix chain 'Y' and resid 107 through 114 Processing helix chain 'Y' and resid 181 through 183 No H-bonds generated for 'chain 'Y' and resid 181 through 183' Processing helix chain 'Y' and resid 200 through 205 removed outlier: 3.810A pdb=" N ILE Y 204 " --> pdb=" O ILE Y 200 " (cutoff:3.500A) Processing helix chain 'Y' and resid 307 through 310 Processing helix chain 'Y' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR Y 316 " --> pdb=" O ASN Y 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN Y 317 " --> pdb=" O SER Y 313 " (cutoff:3.500A) Processing helix chain 'Y' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP Y 326 " --> pdb=" O ASN Y 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'Y' and resid 322 through 326' Processing helix chain 'Y' and resid 354 through 358 Processing helix chain 'Z' and resid 52 through 58 removed outlier: 3.871A pdb=" N SER Z 56 " --> pdb=" O TYR Z 52 " (cutoff:3.500A) Processing helix chain 'Z' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR Z 91 " --> pdb=" O VAL Z 87 " (cutoff:3.500A) Processing helix chain 'Z' and resid 98 through 103 Processing helix chain 'Z' and resid 107 through 114 Processing helix chain 'Z' and resid 181 through 183 No H-bonds generated for 'chain 'Z' and resid 181 through 183' Processing helix chain 'Z' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE Z 204 " --> pdb=" O ILE Z 200 " (cutoff:3.500A) Processing helix chain 'Z' and resid 307 through 310 Processing helix chain 'Z' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR Z 316 " --> pdb=" O ASN Z 312 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ASN Z 317 " --> pdb=" O SER Z 313 " (cutoff:3.500A) Processing helix chain 'Z' and resid 322 through 326 removed outlier: 3.880A pdb=" N TRP Z 326 " --> pdb=" O ASN Z 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'Z' and resid 322 through 326' Processing helix chain 'Z' and resid 354 through 358 Processing helix chain '1' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER 1 56 " --> pdb=" O TYR 1 52 " (cutoff:3.500A) Processing helix chain '1' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR 1 91 " --> pdb=" O VAL 1 87 " (cutoff:3.500A) Processing helix chain '1' and resid 98 through 103 Processing helix chain '1' and resid 107 through 114 Processing helix chain '1' and resid 181 through 183 No H-bonds generated for 'chain '1' and resid 181 through 183' Processing helix chain '1' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE 1 204 " --> pdb=" O ILE 1 200 " (cutoff:3.500A) Processing helix chain '1' and resid 307 through 310 Processing helix chain '1' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR 1 316 " --> pdb=" O ASN 1 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN 1 317 " --> pdb=" O SER 1 313 " (cutoff:3.500A) Processing helix chain '1' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP 1 326 " --> pdb=" O ASN 1 322 " (cutoff:3.500A) No H-bonds generated for 'chain '1' and resid 322 through 326' Processing helix chain '1' and resid 354 through 358 Processing helix chain '2' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER 2 56 " --> pdb=" O TYR 2 52 " (cutoff:3.500A) Processing helix chain '2' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR 2 91 " --> pdb=" O VAL 2 87 " (cutoff:3.500A) Processing helix chain '2' and resid 98 through 103 Processing helix chain '2' and resid 107 through 114 Processing helix chain '2' and resid 181 through 183 No H-bonds generated for 'chain '2' and resid 181 through 183' Processing helix chain '2' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE 2 204 " --> pdb=" O ILE 2 200 " (cutoff:3.500A) Processing helix chain '2' and resid 307 through 310 Processing helix chain '2' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR 2 316 " --> pdb=" O ASN 2 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN 2 317 " --> pdb=" O SER 2 313 " (cutoff:3.500A) Processing helix chain '2' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP 2 326 " --> pdb=" O ASN 2 322 " (cutoff:3.500A) No H-bonds generated for 'chain '2' and resid 322 through 326' Processing helix chain '2' and resid 354 through 358 Processing helix chain '3' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER 3 56 " --> pdb=" O TYR 3 52 " (cutoff:3.500A) Processing helix chain '3' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR 3 91 " --> pdb=" O VAL 3 87 " (cutoff:3.500A) Processing helix chain '3' and resid 98 through 103 Processing helix chain '3' and resid 107 through 114 Processing helix chain '3' and resid 181 through 183 No H-bonds generated for 'chain '3' and resid 181 through 183' Processing helix chain '3' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE 3 204 " --> pdb=" O ILE 3 200 " (cutoff:3.500A) Processing helix chain '3' and resid 307 through 310 Processing helix chain '3' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR 3 316 " --> pdb=" O ASN 3 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN 3 317 " --> pdb=" O SER 3 313 " (cutoff:3.500A) Processing helix chain '3' and resid 322 through 326 removed outlier: 3.880A pdb=" N TRP 3 326 " --> pdb=" O ASN 3 322 " (cutoff:3.500A) No H-bonds generated for 'chain '3' and resid 322 through 326' Processing helix chain '3' and resid 354 through 358 Processing helix chain '4' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER 4 56 " --> pdb=" O TYR 4 52 " (cutoff:3.500A) Processing helix chain '4' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR 4 91 " --> pdb=" O VAL 4 87 " (cutoff:3.500A) Processing helix chain '4' and resid 98 through 103 Processing helix chain '4' and resid 107 through 114 Processing helix chain '4' and resid 181 through 183 No H-bonds generated for 'chain '4' and resid 181 through 183' Processing helix chain '4' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE 4 204 " --> pdb=" O ILE 4 200 " (cutoff:3.500A) Processing helix chain '4' and resid 307 through 310 Processing helix chain '4' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR 4 316 " --> pdb=" O ASN 4 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN 4 317 " --> pdb=" O SER 4 313 " (cutoff:3.500A) Processing helix chain '4' and resid 322 through 326 removed outlier: 3.880A pdb=" N TRP 4 326 " --> pdb=" O ASN 4 322 " (cutoff:3.500A) No H-bonds generated for 'chain '4' and resid 322 through 326' Processing helix chain '4' and resid 354 through 358 Processing helix chain '5' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER 5 56 " --> pdb=" O TYR 5 52 " (cutoff:3.500A) Processing helix chain '5' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR 5 91 " --> pdb=" O VAL 5 87 " (cutoff:3.500A) Processing helix chain '5' and resid 98 through 103 Processing helix chain '5' and resid 107 through 114 Processing helix chain '5' and resid 181 through 183 No H-bonds generated for 'chain '5' and resid 181 through 183' Processing helix chain '5' and resid 200 through 205 removed outlier: 3.810A pdb=" N ILE 5 204 " --> pdb=" O ILE 5 200 " (cutoff:3.500A) Processing helix chain '5' and resid 307 through 310 Processing helix chain '5' and resid 311 through 319 removed outlier: 4.027A pdb=" N THR 5 316 " --> pdb=" O ASN 5 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN 5 317 " --> pdb=" O SER 5 313 " (cutoff:3.500A) Processing helix chain '5' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP 5 326 " --> pdb=" O ASN 5 322 " (cutoff:3.500A) No H-bonds generated for 'chain '5' and resid 322 through 326' Processing helix chain '5' and resid 354 through 358 Processing helix chain '6' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER 6 56 " --> pdb=" O TYR 6 52 " (cutoff:3.500A) Processing helix chain '6' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR 6 91 " --> pdb=" O VAL 6 87 " (cutoff:3.500A) Processing helix chain '6' and resid 98 through 103 Processing helix chain '6' and resid 107 through 114 Processing helix chain '6' and resid 181 through 183 No H-bonds generated for 'chain '6' and resid 181 through 183' Processing helix chain '6' and resid 200 through 205 removed outlier: 3.810A pdb=" N ILE 6 204 " --> pdb=" O ILE 6 200 " (cutoff:3.500A) Processing helix chain '6' and resid 307 through 310 Processing helix chain '6' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR 6 316 " --> pdb=" O ASN 6 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN 6 317 " --> pdb=" O SER 6 313 " (cutoff:3.500A) Processing helix chain '6' and resid 322 through 326 removed outlier: 3.880A pdb=" N TRP 6 326 " --> pdb=" O ASN 6 322 " (cutoff:3.500A) No H-bonds generated for 'chain '6' and resid 322 through 326' Processing helix chain '6' and resid 354 through 358 Processing helix chain 'a' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER a 56 " --> pdb=" O TYR a 52 " (cutoff:3.500A) Processing helix chain 'a' and resid 87 through 93 removed outlier: 4.041A pdb=" N TYR a 91 " --> pdb=" O VAL a 87 " (cutoff:3.500A) Processing helix chain 'a' and resid 98 through 103 Processing helix chain 'a' and resid 107 through 114 Processing helix chain 'a' and resid 181 through 183 No H-bonds generated for 'chain 'a' and resid 181 through 183' Processing helix chain 'a' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE a 204 " --> pdb=" O ILE a 200 " (cutoff:3.500A) Processing helix chain 'a' and resid 307 through 310 Processing helix chain 'a' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR a 316 " --> pdb=" O ASN a 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN a 317 " --> pdb=" O SER a 313 " (cutoff:3.500A) Processing helix chain 'a' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP a 326 " --> pdb=" O ASN a 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'a' and resid 322 through 326' Processing helix chain 'a' and resid 354 through 358 Processing helix chain 'b' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER b 56 " --> pdb=" O TYR b 52 " (cutoff:3.500A) Processing helix chain 'b' and resid 87 through 93 removed outlier: 4.041A pdb=" N TYR b 91 " --> pdb=" O VAL b 87 " (cutoff:3.500A) Processing helix chain 'b' and resid 98 through 103 Processing helix chain 'b' and resid 107 through 114 Processing helix chain 'b' and resid 181 through 183 No H-bonds generated for 'chain 'b' and resid 181 through 183' Processing helix chain 'b' and resid 200 through 205 removed outlier: 3.810A pdb=" N ILE b 204 " --> pdb=" O ILE b 200 " (cutoff:3.500A) Processing helix chain 'b' and resid 307 through 310 Processing helix chain 'b' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR b 316 " --> pdb=" O ASN b 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN b 317 " --> pdb=" O SER b 313 " (cutoff:3.500A) Processing helix chain 'b' and resid 322 through 326 removed outlier: 3.880A pdb=" N TRP b 326 " --> pdb=" O ASN b 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'b' and resid 322 through 326' Processing helix chain 'b' and resid 354 through 358 Processing helix chain 'c' and resid 52 through 58 removed outlier: 3.873A pdb=" N SER c 56 " --> pdb=" O TYR c 52 " (cutoff:3.500A) Processing helix chain 'c' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR c 91 " --> pdb=" O VAL c 87 " (cutoff:3.500A) Processing helix chain 'c' and resid 98 through 103 Processing helix chain 'c' and resid 107 through 114 Processing helix chain 'c' and resid 181 through 183 No H-bonds generated for 'chain 'c' and resid 181 through 183' Processing helix chain 'c' and resid 200 through 205 removed outlier: 3.810A pdb=" N ILE c 204 " --> pdb=" O ILE c 200 " (cutoff:3.500A) Processing helix chain 'c' and resid 307 through 310 Processing helix chain 'c' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR c 316 " --> pdb=" O ASN c 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN c 317 " --> pdb=" O SER c 313 " (cutoff:3.500A) Processing helix chain 'c' and resid 322 through 326 removed outlier: 3.880A pdb=" N TRP c 326 " --> pdb=" O ASN c 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'c' and resid 322 through 326' Processing helix chain 'c' and resid 354 through 358 Processing helix chain 'd' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER d 56 " --> pdb=" O TYR d 52 " (cutoff:3.500A) Processing helix chain 'd' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR d 91 " --> pdb=" O VAL d 87 " (cutoff:3.500A) Processing helix chain 'd' and resid 98 through 103 Processing helix chain 'd' and resid 107 through 114 Processing helix chain 'd' and resid 181 through 183 No H-bonds generated for 'chain 'd' and resid 181 through 183' Processing helix chain 'd' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE d 204 " --> pdb=" O ILE d 200 " (cutoff:3.500A) Processing helix chain 'd' and resid 307 through 310 Processing helix chain 'd' and resid 311 through 319 removed outlier: 4.027A pdb=" N THR d 316 " --> pdb=" O ASN d 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN d 317 " --> pdb=" O SER d 313 " (cutoff:3.500A) Processing helix chain 'd' and resid 322 through 326 removed outlier: 3.880A pdb=" N TRP d 326 " --> pdb=" O ASN d 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'd' and resid 322 through 326' Processing helix chain 'd' and resid 354 through 358 Processing helix chain 'e' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER e 56 " --> pdb=" O TYR e 52 " (cutoff:3.500A) Processing helix chain 'e' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR e 91 " --> pdb=" O VAL e 87 " (cutoff:3.500A) Processing helix chain 'e' and resid 98 through 103 Processing helix chain 'e' and resid 107 through 114 Processing helix chain 'e' and resid 181 through 183 No H-bonds generated for 'chain 'e' and resid 181 through 183' Processing helix chain 'e' and resid 200 through 205 removed outlier: 3.810A pdb=" N ILE e 204 " --> pdb=" O ILE e 200 " (cutoff:3.500A) Processing helix chain 'e' and resid 307 through 310 Processing helix chain 'e' and resid 311 through 319 removed outlier: 4.027A pdb=" N THR e 316 " --> pdb=" O ASN e 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN e 317 " --> pdb=" O SER e 313 " (cutoff:3.500A) Processing helix chain 'e' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP e 326 " --> pdb=" O ASN e 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'e' and resid 322 through 326' Processing helix chain 'e' and resid 354 through 358 Processing helix chain 'f' and resid 52 through 58 removed outlier: 3.871A pdb=" N SER f 56 " --> pdb=" O TYR f 52 " (cutoff:3.500A) Processing helix chain 'f' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR f 91 " --> pdb=" O VAL f 87 " (cutoff:3.500A) Processing helix chain 'f' and resid 98 through 103 Processing helix chain 'f' and resid 107 through 114 Processing helix chain 'f' and resid 181 through 183 No H-bonds generated for 'chain 'f' and resid 181 through 183' Processing helix chain 'f' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE f 204 " --> pdb=" O ILE f 200 " (cutoff:3.500A) Processing helix chain 'f' and resid 307 through 310 Processing helix chain 'f' and resid 311 through 319 removed outlier: 4.027A pdb=" N THR f 316 " --> pdb=" O ASN f 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN f 317 " --> pdb=" O SER f 313 " (cutoff:3.500A) Processing helix chain 'f' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP f 326 " --> pdb=" O ASN f 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'f' and resid 322 through 326' Processing helix chain 'f' and resid 354 through 358 Processing helix chain 'g' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER g 56 " --> pdb=" O TYR g 52 " (cutoff:3.500A) Processing helix chain 'g' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR g 91 " --> pdb=" O VAL g 87 " (cutoff:3.500A) Processing helix chain 'g' and resid 98 through 103 Processing helix chain 'g' and resid 107 through 114 Processing helix chain 'g' and resid 181 through 183 No H-bonds generated for 'chain 'g' and resid 181 through 183' Processing helix chain 'g' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE g 204 " --> pdb=" O ILE g 200 " (cutoff:3.500A) Processing helix chain 'g' and resid 307 through 310 Processing helix chain 'g' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR g 316 " --> pdb=" O ASN g 312 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ASN g 317 " --> pdb=" O SER g 313 " (cutoff:3.500A) Processing helix chain 'g' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP g 326 " --> pdb=" O ASN g 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'g' and resid 322 through 326' Processing helix chain 'g' and resid 354 through 358 Processing helix chain 'h' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER h 56 " --> pdb=" O TYR h 52 " (cutoff:3.500A) Processing helix chain 'h' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR h 91 " --> pdb=" O VAL h 87 " (cutoff:3.500A) Processing helix chain 'h' and resid 98 through 103 Processing helix chain 'h' and resid 107 through 114 Processing helix chain 'h' and resid 181 through 183 No H-bonds generated for 'chain 'h' and resid 181 through 183' Processing helix chain 'h' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE h 204 " --> pdb=" O ILE h 200 " (cutoff:3.500A) Processing helix chain 'h' and resid 307 through 310 Processing helix chain 'h' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR h 316 " --> pdb=" O ASN h 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN h 317 " --> pdb=" O SER h 313 " (cutoff:3.500A) Processing helix chain 'h' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP h 326 " --> pdb=" O ASN h 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'h' and resid 322 through 326' Processing helix chain 'h' and resid 354 through 358 Processing helix chain 'i' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER i 56 " --> pdb=" O TYR i 52 " (cutoff:3.500A) Processing helix chain 'i' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR i 91 " --> pdb=" O VAL i 87 " (cutoff:3.500A) Processing helix chain 'i' and resid 98 through 103 Processing helix chain 'i' and resid 107 through 114 Processing helix chain 'i' and resid 181 through 183 No H-bonds generated for 'chain 'i' and resid 181 through 183' Processing helix chain 'i' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE i 204 " --> pdb=" O ILE i 200 " (cutoff:3.500A) Processing helix chain 'i' and resid 307 through 310 Processing helix chain 'i' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR i 316 " --> pdb=" O ASN i 312 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ASN i 317 " --> pdb=" O SER i 313 " (cutoff:3.500A) Processing helix chain 'i' and resid 322 through 326 removed outlier: 3.880A pdb=" N TRP i 326 " --> pdb=" O ASN i 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'i' and resid 322 through 326' Processing helix chain 'i' and resid 354 through 358 Processing helix chain 'j' and resid 52 through 58 removed outlier: 3.871A pdb=" N SER j 56 " --> pdb=" O TYR j 52 " (cutoff:3.500A) Processing helix chain 'j' and resid 87 through 93 removed outlier: 4.041A pdb=" N TYR j 91 " --> pdb=" O VAL j 87 " (cutoff:3.500A) Processing helix chain 'j' and resid 98 through 103 Processing helix chain 'j' and resid 107 through 114 Processing helix chain 'j' and resid 181 through 183 No H-bonds generated for 'chain 'j' and resid 181 through 183' Processing helix chain 'j' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE j 204 " --> pdb=" O ILE j 200 " (cutoff:3.500A) Processing helix chain 'j' and resid 307 through 310 Processing helix chain 'j' and resid 311 through 319 removed outlier: 4.027A pdb=" N THR j 316 " --> pdb=" O ASN j 312 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ASN j 317 " --> pdb=" O SER j 313 " (cutoff:3.500A) Processing helix chain 'j' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP j 326 " --> pdb=" O ASN j 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'j' and resid 322 through 326' Processing helix chain 'j' and resid 354 through 358 Processing helix chain 'k' and resid 52 through 58 removed outlier: 3.871A pdb=" N SER k 56 " --> pdb=" O TYR k 52 " (cutoff:3.500A) Processing helix chain 'k' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR k 91 " --> pdb=" O VAL k 87 " (cutoff:3.500A) Processing helix chain 'k' and resid 98 through 103 Processing helix chain 'k' and resid 107 through 114 Processing helix chain 'k' and resid 181 through 183 No H-bonds generated for 'chain 'k' and resid 181 through 183' Processing helix chain 'k' and resid 200 through 205 removed outlier: 3.810A pdb=" N ILE k 204 " --> pdb=" O ILE k 200 " (cutoff:3.500A) Processing helix chain 'k' and resid 307 through 310 Processing helix chain 'k' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR k 316 " --> pdb=" O ASN k 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN k 317 " --> pdb=" O SER k 313 " (cutoff:3.500A) Processing helix chain 'k' and resid 322 through 326 removed outlier: 3.880A pdb=" N TRP k 326 " --> pdb=" O ASN k 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'k' and resid 322 through 326' Processing helix chain 'k' and resid 354 through 358 Processing helix chain 'l' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER l 56 " --> pdb=" O TYR l 52 " (cutoff:3.500A) Processing helix chain 'l' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR l 91 " --> pdb=" O VAL l 87 " (cutoff:3.500A) Processing helix chain 'l' and resid 98 through 103 Processing helix chain 'l' and resid 107 through 114 Processing helix chain 'l' and resid 181 through 183 No H-bonds generated for 'chain 'l' and resid 181 through 183' Processing helix chain 'l' and resid 200 through 205 removed outlier: 3.810A pdb=" N ILE l 204 " --> pdb=" O ILE l 200 " (cutoff:3.500A) Processing helix chain 'l' and resid 307 through 310 Processing helix chain 'l' and resid 311 through 319 removed outlier: 4.027A pdb=" N THR l 316 " --> pdb=" O ASN l 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN l 317 " --> pdb=" O SER l 313 " (cutoff:3.500A) Processing helix chain 'l' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP l 326 " --> pdb=" O ASN l 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'l' and resid 322 through 326' Processing helix chain 'l' and resid 354 through 358 Processing helix chain 'm' and resid 52 through 58 removed outlier: 3.871A pdb=" N SER m 56 " --> pdb=" O TYR m 52 " (cutoff:3.500A) Processing helix chain 'm' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR m 91 " --> pdb=" O VAL m 87 " (cutoff:3.500A) Processing helix chain 'm' and resid 98 through 103 Processing helix chain 'm' and resid 107 through 114 Processing helix chain 'm' and resid 181 through 183 No H-bonds generated for 'chain 'm' and resid 181 through 183' Processing helix chain 'm' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE m 204 " --> pdb=" O ILE m 200 " (cutoff:3.500A) Processing helix chain 'm' and resid 307 through 310 Processing helix chain 'm' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR m 316 " --> pdb=" O ASN m 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN m 317 " --> pdb=" O SER m 313 " (cutoff:3.500A) Processing helix chain 'm' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP m 326 " --> pdb=" O ASN m 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'm' and resid 322 through 326' Processing helix chain 'm' and resid 354 through 358 Processing helix chain 'n' and resid 52 through 58 removed outlier: 3.871A pdb=" N SER n 56 " --> pdb=" O TYR n 52 " (cutoff:3.500A) Processing helix chain 'n' and resid 87 through 93 removed outlier: 4.041A pdb=" N TYR n 91 " --> pdb=" O VAL n 87 " (cutoff:3.500A) Processing helix chain 'n' and resid 98 through 103 Processing helix chain 'n' and resid 107 through 114 Processing helix chain 'n' and resid 181 through 183 No H-bonds generated for 'chain 'n' and resid 181 through 183' Processing helix chain 'n' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE n 204 " --> pdb=" O ILE n 200 " (cutoff:3.500A) Processing helix chain 'n' and resid 307 through 310 Processing helix chain 'n' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR n 316 " --> pdb=" O ASN n 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN n 317 " --> pdb=" O SER n 313 " (cutoff:3.500A) Processing helix chain 'n' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP n 326 " --> pdb=" O ASN n 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'n' and resid 322 through 326' Processing helix chain 'n' and resid 354 through 358 Processing helix chain 'o' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER o 56 " --> pdb=" O TYR o 52 " (cutoff:3.500A) Processing helix chain 'o' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR o 91 " --> pdb=" O VAL o 87 " (cutoff:3.500A) Processing helix chain 'o' and resid 98 through 103 Processing helix chain 'o' and resid 107 through 114 Processing helix chain 'o' and resid 181 through 183 No H-bonds generated for 'chain 'o' and resid 181 through 183' Processing helix chain 'o' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE o 204 " --> pdb=" O ILE o 200 " (cutoff:3.500A) Processing helix chain 'o' and resid 307 through 310 Processing helix chain 'o' and resid 311 through 319 removed outlier: 4.027A pdb=" N THR o 316 " --> pdb=" O ASN o 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN o 317 " --> pdb=" O SER o 313 " (cutoff:3.500A) Processing helix chain 'o' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP o 326 " --> pdb=" O ASN o 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'o' and resid 322 through 326' Processing helix chain 'o' and resid 354 through 358 Processing helix chain 'p' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER p 56 " --> pdb=" O TYR p 52 " (cutoff:3.500A) Processing helix chain 'p' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR p 91 " --> pdb=" O VAL p 87 " (cutoff:3.500A) Processing helix chain 'p' and resid 98 through 103 Processing helix chain 'p' and resid 107 through 114 Processing helix chain 'p' and resid 181 through 183 No H-bonds generated for 'chain 'p' and resid 181 through 183' Processing helix chain 'p' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE p 204 " --> pdb=" O ILE p 200 " (cutoff:3.500A) Processing helix chain 'p' and resid 307 through 310 Processing helix chain 'p' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR p 316 " --> pdb=" O ASN p 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN p 317 " --> pdb=" O SER p 313 " (cutoff:3.500A) Processing helix chain 'p' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP p 326 " --> pdb=" O ASN p 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'p' and resid 322 through 326' Processing helix chain 'p' and resid 354 through 358 Processing helix chain 'q' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER q 56 " --> pdb=" O TYR q 52 " (cutoff:3.500A) Processing helix chain 'q' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR q 91 " --> pdb=" O VAL q 87 " (cutoff:3.500A) Processing helix chain 'q' and resid 98 through 103 Processing helix chain 'q' and resid 107 through 114 Processing helix chain 'q' and resid 181 through 183 No H-bonds generated for 'chain 'q' and resid 181 through 183' Processing helix chain 'q' and resid 200 through 205 removed outlier: 3.810A pdb=" N ILE q 204 " --> pdb=" O ILE q 200 " (cutoff:3.500A) Processing helix chain 'q' and resid 307 through 310 Processing helix chain 'q' and resid 311 through 319 removed outlier: 4.027A pdb=" N THR q 316 " --> pdb=" O ASN q 312 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ASN q 317 " --> pdb=" O SER q 313 " (cutoff:3.500A) Processing helix chain 'q' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP q 326 " --> pdb=" O ASN q 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'q' and resid 322 through 326' Processing helix chain 'q' and resid 354 through 358 Processing helix chain 'r' and resid 52 through 58 removed outlier: 3.871A pdb=" N SER r 56 " --> pdb=" O TYR r 52 " (cutoff:3.500A) Processing helix chain 'r' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR r 91 " --> pdb=" O VAL r 87 " (cutoff:3.500A) Processing helix chain 'r' and resid 98 through 103 Processing helix chain 'r' and resid 107 through 114 Processing helix chain 'r' and resid 181 through 183 No H-bonds generated for 'chain 'r' and resid 181 through 183' Processing helix chain 'r' and resid 200 through 205 removed outlier: 3.810A pdb=" N ILE r 204 " --> pdb=" O ILE r 200 " (cutoff:3.500A) Processing helix chain 'r' and resid 307 through 310 Processing helix chain 'r' and resid 311 through 319 removed outlier: 4.027A pdb=" N THR r 316 " --> pdb=" O ASN r 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN r 317 " --> pdb=" O SER r 313 " (cutoff:3.500A) Processing helix chain 'r' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP r 326 " --> pdb=" O ASN r 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'r' and resid 322 through 326' Processing helix chain 'r' and resid 354 through 358 Processing helix chain 's' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER s 56 " --> pdb=" O TYR s 52 " (cutoff:3.500A) Processing helix chain 's' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR s 91 " --> pdb=" O VAL s 87 " (cutoff:3.500A) Processing helix chain 's' and resid 98 through 103 Processing helix chain 's' and resid 107 through 114 Processing helix chain 's' and resid 181 through 183 No H-bonds generated for 'chain 's' and resid 181 through 183' Processing helix chain 's' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE s 204 " --> pdb=" O ILE s 200 " (cutoff:3.500A) Processing helix chain 's' and resid 307 through 310 Processing helix chain 's' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR s 316 " --> pdb=" O ASN s 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN s 317 " --> pdb=" O SER s 313 " (cutoff:3.500A) Processing helix chain 's' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP s 326 " --> pdb=" O ASN s 322 " (cutoff:3.500A) No H-bonds generated for 'chain 's' and resid 322 through 326' Processing helix chain 's' and resid 354 through 358 Processing helix chain 't' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER t 56 " --> pdb=" O TYR t 52 " (cutoff:3.500A) Processing helix chain 't' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR t 91 " --> pdb=" O VAL t 87 " (cutoff:3.500A) Processing helix chain 't' and resid 98 through 103 Processing helix chain 't' and resid 107 through 114 Processing helix chain 't' and resid 181 through 183 No H-bonds generated for 'chain 't' and resid 181 through 183' Processing helix chain 't' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE t 204 " --> pdb=" O ILE t 200 " (cutoff:3.500A) Processing helix chain 't' and resid 307 through 310 Processing helix chain 't' and resid 311 through 319 removed outlier: 4.027A pdb=" N THR t 316 " --> pdb=" O ASN t 312 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ASN t 317 " --> pdb=" O SER t 313 " (cutoff:3.500A) Processing helix chain 't' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP t 326 " --> pdb=" O ASN t 322 " (cutoff:3.500A) No H-bonds generated for 'chain 't' and resid 322 through 326' Processing helix chain 't' and resid 354 through 358 Processing helix chain 'u' and resid 52 through 58 removed outlier: 3.871A pdb=" N SER u 56 " --> pdb=" O TYR u 52 " (cutoff:3.500A) Processing helix chain 'u' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR u 91 " --> pdb=" O VAL u 87 " (cutoff:3.500A) Processing helix chain 'u' and resid 98 through 103 Processing helix chain 'u' and resid 107 through 114 Processing helix chain 'u' and resid 181 through 183 No H-bonds generated for 'chain 'u' and resid 181 through 183' Processing helix chain 'u' and resid 200 through 205 removed outlier: 3.810A pdb=" N ILE u 204 " --> pdb=" O ILE u 200 " (cutoff:3.500A) Processing helix chain 'u' and resid 307 through 310 Processing helix chain 'u' and resid 311 through 319 removed outlier: 4.027A pdb=" N THR u 316 " --> pdb=" O ASN u 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN u 317 " --> pdb=" O SER u 313 " (cutoff:3.500A) Processing helix chain 'u' and resid 322 through 326 removed outlier: 3.880A pdb=" N TRP u 326 " --> pdb=" O ASN u 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'u' and resid 322 through 326' Processing helix chain 'u' and resid 354 through 358 Processing helix chain 'v' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER v 56 " --> pdb=" O TYR v 52 " (cutoff:3.500A) Processing helix chain 'v' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR v 91 " --> pdb=" O VAL v 87 " (cutoff:3.500A) Processing helix chain 'v' and resid 98 through 103 Processing helix chain 'v' and resid 107 through 114 Processing helix chain 'v' and resid 181 through 183 No H-bonds generated for 'chain 'v' and resid 181 through 183' Processing helix chain 'v' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE v 204 " --> pdb=" O ILE v 200 " (cutoff:3.500A) Processing helix chain 'v' and resid 307 through 310 Processing helix chain 'v' and resid 311 through 319 removed outlier: 4.027A pdb=" N THR v 316 " --> pdb=" O ASN v 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN v 317 " --> pdb=" O SER v 313 " (cutoff:3.500A) Processing helix chain 'v' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP v 326 " --> pdb=" O ASN v 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'v' and resid 322 through 326' Processing helix chain 'v' and resid 354 through 358 Processing helix chain 'w' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER w 56 " --> pdb=" O TYR w 52 " (cutoff:3.500A) Processing helix chain 'w' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR w 91 " --> pdb=" O VAL w 87 " (cutoff:3.500A) Processing helix chain 'w' and resid 98 through 103 Processing helix chain 'w' and resid 107 through 114 Processing helix chain 'w' and resid 181 through 183 No H-bonds generated for 'chain 'w' and resid 181 through 183' Processing helix chain 'w' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE w 204 " --> pdb=" O ILE w 200 " (cutoff:3.500A) Processing helix chain 'w' and resid 307 through 310 Processing helix chain 'w' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR w 316 " --> pdb=" O ASN w 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN w 317 " --> pdb=" O SER w 313 " (cutoff:3.500A) Processing helix chain 'w' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP w 326 " --> pdb=" O ASN w 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'w' and resid 322 through 326' Processing helix chain 'w' and resid 354 through 358 Processing helix chain 'x' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER x 56 " --> pdb=" O TYR x 52 " (cutoff:3.500A) Processing helix chain 'x' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR x 91 " --> pdb=" O VAL x 87 " (cutoff:3.500A) Processing helix chain 'x' and resid 98 through 103 Processing helix chain 'x' and resid 107 through 114 Processing helix chain 'x' and resid 181 through 183 No H-bonds generated for 'chain 'x' and resid 181 through 183' Processing helix chain 'x' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE x 204 " --> pdb=" O ILE x 200 " (cutoff:3.500A) Processing helix chain 'x' and resid 307 through 310 Processing helix chain 'x' and resid 311 through 319 removed outlier: 4.027A pdb=" N THR x 316 " --> pdb=" O ASN x 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN x 317 " --> pdb=" O SER x 313 " (cutoff:3.500A) Processing helix chain 'x' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP x 326 " --> pdb=" O ASN x 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'x' and resid 322 through 326' Processing helix chain 'x' and resid 354 through 358 Processing helix chain 'y' and resid 52 through 58 removed outlier: 3.871A pdb=" N SER y 56 " --> pdb=" O TYR y 52 " (cutoff:3.500A) Processing helix chain 'y' and resid 87 through 93 removed outlier: 4.043A pdb=" N TYR y 91 " --> pdb=" O VAL y 87 " (cutoff:3.500A) Processing helix chain 'y' and resid 98 through 103 Processing helix chain 'y' and resid 107 through 114 Processing helix chain 'y' and resid 181 through 183 No H-bonds generated for 'chain 'y' and resid 181 through 183' Processing helix chain 'y' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE y 204 " --> pdb=" O ILE y 200 " (cutoff:3.500A) Processing helix chain 'y' and resid 307 through 310 Processing helix chain 'y' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR y 316 " --> pdb=" O ASN y 312 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ASN y 317 " --> pdb=" O SER y 313 " (cutoff:3.500A) Processing helix chain 'y' and resid 322 through 326 removed outlier: 3.880A pdb=" N TRP y 326 " --> pdb=" O ASN y 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'y' and resid 322 through 326' Processing helix chain 'y' and resid 354 through 358 Processing helix chain 'z' and resid 52 through 58 removed outlier: 3.872A pdb=" N SER z 56 " --> pdb=" O TYR z 52 " (cutoff:3.500A) Processing helix chain 'z' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR z 91 " --> pdb=" O VAL z 87 " (cutoff:3.500A) Processing helix chain 'z' and resid 98 through 103 Processing helix chain 'z' and resid 107 through 114 Processing helix chain 'z' and resid 181 through 183 No H-bonds generated for 'chain 'z' and resid 181 through 183' Processing helix chain 'z' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE z 204 " --> pdb=" O ILE z 200 " (cutoff:3.500A) Processing helix chain 'z' and resid 307 through 310 Processing helix chain 'z' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR z 316 " --> pdb=" O ASN z 312 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ASN z 317 " --> pdb=" O SER z 313 " (cutoff:3.500A) Processing helix chain 'z' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP z 326 " --> pdb=" O ASN z 322 " (cutoff:3.500A) No H-bonds generated for 'chain 'z' and resid 322 through 326' Processing helix chain 'z' and resid 354 through 358 Processing helix chain '7' and resid 52 through 58 removed outlier: 3.871A pdb=" N SER 7 56 " --> pdb=" O TYR 7 52 " (cutoff:3.500A) Processing helix chain '7' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR 7 91 " --> pdb=" O VAL 7 87 " (cutoff:3.500A) Processing helix chain '7' and resid 98 through 103 Processing helix chain '7' and resid 107 through 114 Processing helix chain '7' and resid 181 through 183 No H-bonds generated for 'chain '7' and resid 181 through 183' Processing helix chain '7' and resid 200 through 205 removed outlier: 3.810A pdb=" N ILE 7 204 " --> pdb=" O ILE 7 200 " (cutoff:3.500A) Processing helix chain '7' and resid 307 through 310 Processing helix chain '7' and resid 311 through 319 removed outlier: 4.027A pdb=" N THR 7 316 " --> pdb=" O ASN 7 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN 7 317 " --> pdb=" O SER 7 313 " (cutoff:3.500A) Processing helix chain '7' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP 7 326 " --> pdb=" O ASN 7 322 " (cutoff:3.500A) No H-bonds generated for 'chain '7' and resid 322 through 326' Processing helix chain '7' and resid 354 through 358 Processing helix chain '8' and resid 52 through 58 removed outlier: 3.871A pdb=" N SER 8 56 " --> pdb=" O TYR 8 52 " (cutoff:3.500A) Processing helix chain '8' and resid 87 through 93 removed outlier: 4.042A pdb=" N TYR 8 91 " --> pdb=" O VAL 8 87 " (cutoff:3.500A) Processing helix chain '8' and resid 98 through 103 Processing helix chain '8' and resid 107 through 114 Processing helix chain '8' and resid 181 through 183 No H-bonds generated for 'chain '8' and resid 181 through 183' Processing helix chain '8' and resid 200 through 205 removed outlier: 3.809A pdb=" N ILE 8 204 " --> pdb=" O ILE 8 200 " (cutoff:3.500A) Processing helix chain '8' and resid 307 through 310 Processing helix chain '8' and resid 311 through 319 removed outlier: 4.028A pdb=" N THR 8 316 " --> pdb=" O ASN 8 312 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ASN 8 317 " --> pdb=" O SER 8 313 " (cutoff:3.500A) Processing helix chain '8' and resid 322 through 326 removed outlier: 3.879A pdb=" N TRP 8 326 " --> pdb=" O ASN 8 322 " (cutoff:3.500A) No H-bonds generated for 'chain '8' and resid 322 through 326' Processing helix chain '8' and resid 354 through 358 Processing sheet with id=AA1, first strand: chain 'A' and resid 47 through 48 removed outlier: 3.866A pdb=" N TRP A 47 " --> pdb=" O TYR G 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY G 270 " --> pdb=" O ASP G 162 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N HIS G 271 " --> pdb=" O ILE G 83 " (cutoff:3.500A) Processing sheet with id=AA2, first strand: chain 'A' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY A 74 " --> pdb=" O LEU A 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU A 287 " --> pdb=" O GLY A 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR A 292 " --> pdb=" O ASN A 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN A 130 " --> pdb=" O THR A 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU A 294 " --> pdb=" O LEU A 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU A 128 " --> pdb=" O GLU A 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU A 296 " --> pdb=" O TYR A 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR A 126 " --> pdb=" O GLU A 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU A 298 " --> pdb=" O VAL A 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL A 124 " --> pdb=" O GLU A 298 " (cutoff:3.500A) Processing sheet with id=AA3, first strand: chain 'A' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR A 292 " --> pdb=" O ASN A 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN A 130 " --> pdb=" O THR A 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU A 294 " --> pdb=" O LEU A 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU A 128 " --> pdb=" O GLU A 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU A 296 " --> pdb=" O TYR A 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR A 126 " --> pdb=" O GLU A 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU A 298 " --> pdb=" O VAL A 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL A 124 " --> pdb=" O GLU A 298 " (cutoff:3.500A) Processing sheet with id=AA4, first strand: chain 'A' and resid 189 through 191 removed outlier: 4.669A pdb=" N HIS A 271 " --> pdb=" O ILE A 83 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY A 270 " --> pdb=" O ASP A 162 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N TRP I 47 " --> pdb=" O TYR A 210 " (cutoff:3.500A) Processing sheet with id=AA5, first strand: chain 'A' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP A 178 " --> pdb=" O ILE A 341 " (cutoff:3.500A) Processing sheet with id=AA6, first strand: chain 'A' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER A 335 " --> pdb=" O ASN A 342 " (cutoff:3.500A) Processing sheet with id=AA7, first strand: chain 'A' and resid 229 through 230 removed outlier: 6.225A pdb=" N TRP A 229 " --> pdb=" O GLN A 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AA7 Processing sheet with id=AA8, first strand: chain 'A' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS A 257 " --> pdb=" O HIS A 368 " (cutoff:3.500A) Processing sheet with id=AA9, first strand: chain 'B' and resid 47 through 48 removed outlier: 3.858A pdb=" N TRP B 47 " --> pdb=" O TYR J 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY J 270 " --> pdb=" O ASP J 162 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N HIS J 271 " --> pdb=" O ILE J 83 " (cutoff:3.500A) Processing sheet with id=AB1, first strand: chain 'B' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY B 74 " --> pdb=" O LEU B 287 " (cutoff:3.500A) removed outlier: 7.511A pdb=" N LEU B 287 " --> pdb=" O GLY B 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR B 292 " --> pdb=" O ASN B 130 " (cutoff:3.500A) removed outlier: 5.578A pdb=" N ASN B 130 " --> pdb=" O THR B 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU B 294 " --> pdb=" O LEU B 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU B 128 " --> pdb=" O GLU B 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU B 296 " --> pdb=" O TYR B 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR B 126 " --> pdb=" O GLU B 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU B 298 " --> pdb=" O VAL B 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL B 124 " --> pdb=" O GLU B 298 " (cutoff:3.500A) Processing sheet with id=AB2, first strand: chain 'B' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR B 292 " --> pdb=" O ASN B 130 " (cutoff:3.500A) removed outlier: 5.578A pdb=" N ASN B 130 " --> pdb=" O THR B 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU B 294 " --> pdb=" O LEU B 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU B 128 " --> pdb=" O GLU B 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU B 296 " --> pdb=" O TYR B 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR B 126 " --> pdb=" O GLU B 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU B 298 " --> pdb=" O VAL B 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL B 124 " --> pdb=" O GLU B 298 " (cutoff:3.500A) Processing sheet with id=AB3, first strand: chain 'B' and resid 189 through 191 removed outlier: 4.668A pdb=" N HIS B 271 " --> pdb=" O ILE B 83 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY B 270 " --> pdb=" O ASP B 162 " (cutoff:3.500A) removed outlier: 3.865A pdb=" N TRP L 47 " --> pdb=" O TYR B 210 " (cutoff:3.500A) Processing sheet with id=AB4, first strand: chain 'B' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP B 178 " --> pdb=" O ILE B 341 " (cutoff:3.500A) Processing sheet with id=AB5, first strand: chain 'B' and resid 169 through 170 removed outlier: 7.378A pdb=" N SER B 335 " --> pdb=" O ASN B 342 " (cutoff:3.500A) Processing sheet with id=AB6, first strand: chain 'B' and resid 229 through 230 removed outlier: 6.225A pdb=" N TRP B 229 " --> pdb=" O GLN B 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AB6 Processing sheet with id=AB7, first strand: chain 'B' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS B 257 " --> pdb=" O HIS B 368 " (cutoff:3.500A) Processing sheet with id=AB8, first strand: chain 'C' and resid 47 through 48 removed outlier: 3.863A pdb=" N TRP C 47 " --> pdb=" O TYR 2 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY 2 270 " --> pdb=" O ASP 2 162 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N HIS 2 271 " --> pdb=" O ILE 2 83 " (cutoff:3.500A) Processing sheet with id=AB9, first strand: chain 'C' and resid 59 through 75 removed outlier: 4.682A pdb=" N GLY C 74 " --> pdb=" O LEU C 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU C 287 " --> pdb=" O GLY C 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR C 292 " --> pdb=" O ASN C 130 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N ASN C 130 " --> pdb=" O THR C 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU C 294 " --> pdb=" O LEU C 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU C 128 " --> pdb=" O GLU C 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU C 296 " --> pdb=" O TYR C 126 " (cutoff:3.500A) removed outlier: 4.985A pdb=" N TYR C 126 " --> pdb=" O GLU C 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU C 298 " --> pdb=" O VAL C 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL C 124 " --> pdb=" O GLU C 298 " (cutoff:3.500A) Processing sheet with id=AC1, first strand: chain 'C' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR C 292 " --> pdb=" O ASN C 130 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N ASN C 130 " --> pdb=" O THR C 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU C 294 " --> pdb=" O LEU C 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU C 128 " --> pdb=" O GLU C 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU C 296 " --> pdb=" O TYR C 126 " (cutoff:3.500A) removed outlier: 4.985A pdb=" N TYR C 126 " --> pdb=" O GLU C 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU C 298 " --> pdb=" O VAL C 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL C 124 " --> pdb=" O GLU C 298 " (cutoff:3.500A) Processing sheet with id=AC2, first strand: chain 'C' and resid 189 through 191 removed outlier: 4.668A pdb=" N HIS C 271 " --> pdb=" O ILE C 83 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY C 270 " --> pdb=" O ASP C 162 " (cutoff:3.500A) removed outlier: 3.867A pdb=" N TRP M 47 " --> pdb=" O TYR C 210 " (cutoff:3.500A) Processing sheet with id=AC3, first strand: chain 'C' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP C 178 " --> pdb=" O ILE C 341 " (cutoff:3.500A) Processing sheet with id=AC4, first strand: chain 'C' and resid 169 through 170 removed outlier: 7.378A pdb=" N SER C 335 " --> pdb=" O ASN C 342 " (cutoff:3.500A) Processing sheet with id=AC5, first strand: chain 'C' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP C 229 " --> pdb=" O GLN C 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AC5 Processing sheet with id=AC6, first strand: chain 'C' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS C 257 " --> pdb=" O HIS C 368 " (cutoff:3.500A) Processing sheet with id=AC7, first strand: chain 'D' and resid 47 through 48 removed outlier: 3.866A pdb=" N TRP D 47 " --> pdb=" O TYR N 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY N 270 " --> pdb=" O ASP N 162 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N HIS N 271 " --> pdb=" O ILE N 83 " (cutoff:3.500A) Processing sheet with id=AC8, first strand: chain 'D' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY D 74 " --> pdb=" O LEU D 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU D 287 " --> pdb=" O GLY D 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR D 292 " --> pdb=" O ASN D 130 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N ASN D 130 " --> pdb=" O THR D 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU D 294 " --> pdb=" O LEU D 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU D 128 " --> pdb=" O GLU D 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU D 296 " --> pdb=" O TYR D 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR D 126 " --> pdb=" O GLU D 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU D 298 " --> pdb=" O VAL D 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL D 124 " --> pdb=" O GLU D 298 " (cutoff:3.500A) Processing sheet with id=AC9, first strand: chain 'D' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR D 292 " --> pdb=" O ASN D 130 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N ASN D 130 " --> pdb=" O THR D 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU D 294 " --> pdb=" O LEU D 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU D 128 " --> pdb=" O GLU D 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU D 296 " --> pdb=" O TYR D 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR D 126 " --> pdb=" O GLU D 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU D 298 " --> pdb=" O VAL D 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL D 124 " --> pdb=" O GLU D 298 " (cutoff:3.500A) Processing sheet with id=AD1, first strand: chain 'D' and resid 189 through 191 removed outlier: 4.669A pdb=" N HIS D 271 " --> pdb=" O ILE D 83 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N GLY D 270 " --> pdb=" O ASP D 162 " (cutoff:3.500A) removed outlier: 3.868A pdb=" N TRP P 47 " --> pdb=" O TYR D 210 " (cutoff:3.500A) Processing sheet with id=AD2, first strand: chain 'D' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP D 178 " --> pdb=" O ILE D 341 " (cutoff:3.500A) Processing sheet with id=AD3, first strand: chain 'D' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER D 335 " --> pdb=" O ASN D 342 " (cutoff:3.500A) Processing sheet with id=AD4, first strand: chain 'D' and resid 229 through 230 removed outlier: 6.225A pdb=" N TRP D 229 " --> pdb=" O GLN D 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AD4 Processing sheet with id=AD5, first strand: chain 'D' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS D 257 " --> pdb=" O HIS D 368 " (cutoff:3.500A) Processing sheet with id=AD6, first strand: chain 'E' and resid 47 through 48 removed outlier: 3.866A pdb=" N TRP E 47 " --> pdb=" O TYR Q 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY Q 270 " --> pdb=" O ASP Q 162 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N HIS Q 271 " --> pdb=" O ILE Q 83 " (cutoff:3.500A) Processing sheet with id=AD7, first strand: chain 'E' and resid 59 through 75 removed outlier: 4.682A pdb=" N GLY E 74 " --> pdb=" O LEU E 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU E 287 " --> pdb=" O GLY E 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR E 292 " --> pdb=" O ASN E 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN E 130 " --> pdb=" O THR E 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU E 294 " --> pdb=" O LEU E 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU E 128 " --> pdb=" O GLU E 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU E 296 " --> pdb=" O TYR E 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR E 126 " --> pdb=" O GLU E 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU E 298 " --> pdb=" O VAL E 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL E 124 " --> pdb=" O GLU E 298 " (cutoff:3.500A) Processing sheet with id=AD8, first strand: chain 'E' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR E 292 " --> pdb=" O ASN E 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN E 130 " --> pdb=" O THR E 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU E 294 " --> pdb=" O LEU E 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU E 128 " --> pdb=" O GLU E 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU E 296 " --> pdb=" O TYR E 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR E 126 " --> pdb=" O GLU E 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU E 298 " --> pdb=" O VAL E 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL E 124 " --> pdb=" O GLU E 298 " (cutoff:3.500A) Processing sheet with id=AD9, first strand: chain 'E' and resid 189 through 191 removed outlier: 4.669A pdb=" N HIS E 271 " --> pdb=" O ILE E 83 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY E 270 " --> pdb=" O ASP E 162 " (cutoff:3.500A) removed outlier: 3.865A pdb=" N TRP F 47 " --> pdb=" O TYR E 210 " (cutoff:3.500A) Processing sheet with id=AE1, first strand: chain 'E' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP E 178 " --> pdb=" O ILE E 341 " (cutoff:3.500A) Processing sheet with id=AE2, first strand: chain 'E' and resid 169 through 170 removed outlier: 7.378A pdb=" N SER E 335 " --> pdb=" O ASN E 342 " (cutoff:3.500A) Processing sheet with id=AE3, first strand: chain 'E' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP E 229 " --> pdb=" O GLN E 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AE3 Processing sheet with id=AE4, first strand: chain 'E' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS E 257 " --> pdb=" O HIS E 368 " (cutoff:3.500A) Processing sheet with id=AE5, first strand: chain 'F' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY F 74 " --> pdb=" O LEU F 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU F 287 " --> pdb=" O GLY F 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR F 292 " --> pdb=" O ASN F 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN F 130 " --> pdb=" O THR F 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU F 294 " --> pdb=" O LEU F 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU F 128 " --> pdb=" O GLU F 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU F 296 " --> pdb=" O TYR F 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR F 126 " --> pdb=" O GLU F 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU F 298 " --> pdb=" O VAL F 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL F 124 " --> pdb=" O GLU F 298 " (cutoff:3.500A) Processing sheet with id=AE6, first strand: chain 'F' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR F 292 " --> pdb=" O ASN F 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN F 130 " --> pdb=" O THR F 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU F 294 " --> pdb=" O LEU F 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU F 128 " --> pdb=" O GLU F 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU F 296 " --> pdb=" O TYR F 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR F 126 " --> pdb=" O GLU F 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU F 298 " --> pdb=" O VAL F 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL F 124 " --> pdb=" O GLU F 298 " (cutoff:3.500A) Processing sheet with id=AE7, first strand: chain 'F' and resid 189 through 191 removed outlier: 4.669A pdb=" N HIS F 271 " --> pdb=" O ILE F 83 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY F 270 " --> pdb=" O ASP F 162 " (cutoff:3.500A) removed outlier: 3.865A pdb=" N TRP Q 47 " --> pdb=" O TYR F 210 " (cutoff:3.500A) Processing sheet with id=AE8, first strand: chain 'F' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP F 178 " --> pdb=" O ILE F 341 " (cutoff:3.500A) Processing sheet with id=AE9, first strand: chain 'F' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER F 335 " --> pdb=" O ASN F 342 " (cutoff:3.500A) Processing sheet with id=AF1, first strand: chain 'F' and resid 229 through 230 removed outlier: 6.225A pdb=" N TRP F 229 " --> pdb=" O GLN F 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AF1 Processing sheet with id=AF2, first strand: chain 'F' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS F 257 " --> pdb=" O HIS F 368 " (cutoff:3.500A) Processing sheet with id=AF3, first strand: chain 'G' and resid 47 through 48 removed outlier: 3.866A pdb=" N TRP G 47 " --> pdb=" O TYR I 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY I 270 " --> pdb=" O ASP I 162 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N HIS I 271 " --> pdb=" O ILE I 83 " (cutoff:3.500A) Processing sheet with id=AF4, first strand: chain 'G' and resid 59 through 75 removed outlier: 4.682A pdb=" N GLY G 74 " --> pdb=" O LEU G 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU G 287 " --> pdb=" O GLY G 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR G 292 " --> pdb=" O ASN G 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN G 130 " --> pdb=" O THR G 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU G 294 " --> pdb=" O LEU G 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU G 128 " --> pdb=" O GLU G 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU G 296 " --> pdb=" O TYR G 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR G 126 " --> pdb=" O GLU G 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU G 298 " --> pdb=" O VAL G 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL G 124 " --> pdb=" O GLU G 298 " (cutoff:3.500A) Processing sheet with id=AF5, first strand: chain 'G' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR G 292 " --> pdb=" O ASN G 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN G 130 " --> pdb=" O THR G 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU G 294 " --> pdb=" O LEU G 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU G 128 " --> pdb=" O GLU G 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU G 296 " --> pdb=" O TYR G 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR G 126 " --> pdb=" O GLU G 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU G 298 " --> pdb=" O VAL G 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL G 124 " --> pdb=" O GLU G 298 " (cutoff:3.500A) Processing sheet with id=AF6, first strand: chain 'G' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP G 178 " --> pdb=" O ILE G 341 " (cutoff:3.500A) Processing sheet with id=AF7, first strand: chain 'G' and resid 169 through 170 removed outlier: 7.378A pdb=" N SER G 335 " --> pdb=" O ASN G 342 " (cutoff:3.500A) Processing sheet with id=AF8, first strand: chain 'G' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP G 229 " --> pdb=" O GLN G 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AF8 Processing sheet with id=AF9, first strand: chain 'G' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS G 257 " --> pdb=" O HIS G 368 " (cutoff:3.500A) Processing sheet with id=AG1, first strand: chain 'H' and resid 47 through 48 removed outlier: 3.866A pdb=" N TRP H 47 " --> pdb=" O TYR W 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY W 270 " --> pdb=" O ASP W 162 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N HIS W 271 " --> pdb=" O ILE W 83 " (cutoff:3.500A) Processing sheet with id=AG2, first strand: chain 'H' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY H 74 " --> pdb=" O LEU H 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU H 287 " --> pdb=" O GLY H 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR H 292 " --> pdb=" O ASN H 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN H 130 " --> pdb=" O THR H 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU H 294 " --> pdb=" O LEU H 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU H 128 " --> pdb=" O GLU H 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU H 296 " --> pdb=" O TYR H 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR H 126 " --> pdb=" O GLU H 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU H 298 " --> pdb=" O VAL H 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL H 124 " --> pdb=" O GLU H 298 " (cutoff:3.500A) Processing sheet with id=AG3, first strand: chain 'H' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR H 292 " --> pdb=" O ASN H 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN H 130 " --> pdb=" O THR H 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU H 294 " --> pdb=" O LEU H 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU H 128 " --> pdb=" O GLU H 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU H 296 " --> pdb=" O TYR H 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR H 126 " --> pdb=" O GLU H 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU H 298 " --> pdb=" O VAL H 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL H 124 " --> pdb=" O GLU H 298 " (cutoff:3.500A) Processing sheet with id=AG4, first strand: chain 'H' and resid 189 through 191 removed outlier: 4.668A pdb=" N HIS H 271 " --> pdb=" O ILE H 83 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N GLY H 270 " --> pdb=" O ASP H 162 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N TRP Y 47 " --> pdb=" O TYR H 210 " (cutoff:3.500A) Processing sheet with id=AG5, first strand: chain 'H' and resid 169 through 170 removed outlier: 4.326A pdb=" N TRP H 178 " --> pdb=" O ILE H 341 " (cutoff:3.500A) Processing sheet with id=AG6, first strand: chain 'H' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER H 335 " --> pdb=" O ASN H 342 " (cutoff:3.500A) Processing sheet with id=AG7, first strand: chain 'H' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP H 229 " --> pdb=" O GLN H 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AG7 Processing sheet with id=AG8, first strand: chain 'H' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS H 257 " --> pdb=" O HIS H 368 " (cutoff:3.500A) Processing sheet with id=AG9, first strand: chain 'I' and resid 59 through 75 removed outlier: 4.680A pdb=" N GLY I 74 " --> pdb=" O LEU I 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU I 287 " --> pdb=" O GLY I 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR I 292 " --> pdb=" O ASN I 130 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N ASN I 130 " --> pdb=" O THR I 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU I 294 " --> pdb=" O LEU I 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU I 128 " --> pdb=" O GLU I 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU I 296 " --> pdb=" O TYR I 126 " (cutoff:3.500A) removed outlier: 4.985A pdb=" N TYR I 126 " --> pdb=" O GLU I 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU I 298 " --> pdb=" O VAL I 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL I 124 " --> pdb=" O GLU I 298 " (cutoff:3.500A) Processing sheet with id=AH1, first strand: chain 'I' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR I 292 " --> pdb=" O ASN I 130 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N ASN I 130 " --> pdb=" O THR I 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU I 294 " --> pdb=" O LEU I 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU I 128 " --> pdb=" O GLU I 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU I 296 " --> pdb=" O TYR I 126 " (cutoff:3.500A) removed outlier: 4.985A pdb=" N TYR I 126 " --> pdb=" O GLU I 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU I 298 " --> pdb=" O VAL I 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL I 124 " --> pdb=" O GLU I 298 " (cutoff:3.500A) Processing sheet with id=AH2, first strand: chain 'I' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP I 178 " --> pdb=" O ILE I 341 " (cutoff:3.500A) Processing sheet with id=AH3, first strand: chain 'I' and resid 169 through 170 removed outlier: 7.378A pdb=" N SER I 335 " --> pdb=" O ASN I 342 " (cutoff:3.500A) Processing sheet with id=AH4, first strand: chain 'I' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP I 229 " --> pdb=" O GLN I 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AH4 Processing sheet with id=AH5, first strand: chain 'I' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS I 257 " --> pdb=" O HIS I 368 " (cutoff:3.500A) Processing sheet with id=AH6, first strand: chain 'J' and resid 47 through 48 removed outlier: 3.865A pdb=" N TRP J 47 " --> pdb=" O TYR L 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY L 270 " --> pdb=" O ASP L 162 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N HIS L 271 " --> pdb=" O ILE L 83 " (cutoff:3.500A) Processing sheet with id=AH7, first strand: chain 'J' and resid 59 through 75 removed outlier: 4.682A pdb=" N GLY J 74 " --> pdb=" O LEU J 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU J 287 " --> pdb=" O GLY J 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR J 292 " --> pdb=" O ASN J 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN J 130 " --> pdb=" O THR J 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU J 294 " --> pdb=" O LEU J 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU J 128 " --> pdb=" O GLU J 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU J 296 " --> pdb=" O TYR J 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR J 126 " --> pdb=" O GLU J 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU J 298 " --> pdb=" O VAL J 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL J 124 " --> pdb=" O GLU J 298 " (cutoff:3.500A) Processing sheet with id=AH8, first strand: chain 'J' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR J 292 " --> pdb=" O ASN J 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN J 130 " --> pdb=" O THR J 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU J 294 " --> pdb=" O LEU J 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU J 128 " --> pdb=" O GLU J 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU J 296 " --> pdb=" O TYR J 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR J 126 " --> pdb=" O GLU J 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU J 298 " --> pdb=" O VAL J 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL J 124 " --> pdb=" O GLU J 298 " (cutoff:3.500A) Processing sheet with id=AH9, first strand: chain 'J' and resid 169 through 170 removed outlier: 4.326A pdb=" N TRP J 178 " --> pdb=" O ILE J 341 " (cutoff:3.500A) Processing sheet with id=AI1, first strand: chain 'J' and resid 169 through 170 removed outlier: 7.376A pdb=" N SER J 335 " --> pdb=" O ASN J 342 " (cutoff:3.500A) Processing sheet with id=AI2, first strand: chain 'J' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP J 229 " --> pdb=" O GLN J 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AI2 Processing sheet with id=AI3, first strand: chain 'J' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS J 257 " --> pdb=" O HIS J 368 " (cutoff:3.500A) Processing sheet with id=AI4, first strand: chain 'K' and resid 47 through 48 removed outlier: 3.867A pdb=" N TRP K 47 " --> pdb=" O TYR 1 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY 1 270 " --> pdb=" O ASP 1 162 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N HIS 1 271 " --> pdb=" O ILE 1 83 " (cutoff:3.500A) Processing sheet with id=AI5, first strand: chain 'K' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY K 74 " --> pdb=" O LEU K 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU K 287 " --> pdb=" O GLY K 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR K 292 " --> pdb=" O ASN K 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN K 130 " --> pdb=" O THR K 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU K 294 " --> pdb=" O LEU K 128 " (cutoff:3.500A) removed outlier: 5.331A pdb=" N LEU K 128 " --> pdb=" O GLU K 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU K 296 " --> pdb=" O TYR K 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR K 126 " --> pdb=" O GLU K 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU K 298 " --> pdb=" O VAL K 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL K 124 " --> pdb=" O GLU K 298 " (cutoff:3.500A) Processing sheet with id=AI6, first strand: chain 'K' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR K 292 " --> pdb=" O ASN K 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN K 130 " --> pdb=" O THR K 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU K 294 " --> pdb=" O LEU K 128 " (cutoff:3.500A) removed outlier: 5.331A pdb=" N LEU K 128 " --> pdb=" O GLU K 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU K 296 " --> pdb=" O TYR K 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR K 126 " --> pdb=" O GLU K 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU K 298 " --> pdb=" O VAL K 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL K 124 " --> pdb=" O GLU K 298 " (cutoff:3.500A) Processing sheet with id=AI7, first strand: chain 'K' and resid 189 through 191 removed outlier: 4.668A pdb=" N HIS K 271 " --> pdb=" O ILE K 83 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY K 270 " --> pdb=" O ASP K 162 " (cutoff:3.500A) removed outlier: 3.868A pdb=" N TRP 8 47 " --> pdb=" O TYR K 210 " (cutoff:3.500A) Processing sheet with id=AI8, first strand: chain 'K' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP K 178 " --> pdb=" O ILE K 341 " (cutoff:3.500A) Processing sheet with id=AI9, first strand: chain 'K' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER K 335 " --> pdb=" O ASN K 342 " (cutoff:3.500A) Processing sheet with id=AJ1, first strand: chain 'K' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP K 229 " --> pdb=" O GLN K 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AJ1 Processing sheet with id=AJ2, first strand: chain 'K' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS K 257 " --> pdb=" O HIS K 368 " (cutoff:3.500A) Processing sheet with id=AJ3, first strand: chain 'L' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY L 74 " --> pdb=" O LEU L 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU L 287 " --> pdb=" O GLY L 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR L 292 " --> pdb=" O ASN L 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN L 130 " --> pdb=" O THR L 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU L 294 " --> pdb=" O LEU L 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU L 128 " --> pdb=" O GLU L 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU L 296 " --> pdb=" O TYR L 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR L 126 " --> pdb=" O GLU L 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU L 298 " --> pdb=" O VAL L 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL L 124 " --> pdb=" O GLU L 298 " (cutoff:3.500A) Processing sheet with id=AJ4, first strand: chain 'L' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR L 292 " --> pdb=" O ASN L 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN L 130 " --> pdb=" O THR L 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU L 294 " --> pdb=" O LEU L 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU L 128 " --> pdb=" O GLU L 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU L 296 " --> pdb=" O TYR L 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR L 126 " --> pdb=" O GLU L 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU L 298 " --> pdb=" O VAL L 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL L 124 " --> pdb=" O GLU L 298 " (cutoff:3.500A) Processing sheet with id=AJ5, first strand: chain 'L' and resid 169 through 170 removed outlier: 4.326A pdb=" N TRP L 178 " --> pdb=" O ILE L 341 " (cutoff:3.500A) Processing sheet with id=AJ6, first strand: chain 'L' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER L 335 " --> pdb=" O ASN L 342 " (cutoff:3.500A) Processing sheet with id=AJ7, first strand: chain 'L' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP L 229 " --> pdb=" O GLN L 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AJ7 Processing sheet with id=AJ8, first strand: chain 'L' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS L 257 " --> pdb=" O HIS L 368 " (cutoff:3.500A) Processing sheet with id=AJ9, first strand: chain 'M' and resid 59 through 75 removed outlier: 4.682A pdb=" N GLY M 74 " --> pdb=" O LEU M 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU M 287 " --> pdb=" O GLY M 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR M 292 " --> pdb=" O ASN M 130 " (cutoff:3.500A) removed outlier: 5.578A pdb=" N ASN M 130 " --> pdb=" O THR M 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU M 294 " --> pdb=" O LEU M 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU M 128 " --> pdb=" O GLU M 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU M 296 " --> pdb=" O TYR M 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR M 126 " --> pdb=" O GLU M 296 " (cutoff:3.500A) removed outlier: 6.970A pdb=" N GLU M 298 " --> pdb=" O VAL M 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL M 124 " --> pdb=" O GLU M 298 " (cutoff:3.500A) Processing sheet with id=AK1, first strand: chain 'M' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR M 292 " --> pdb=" O ASN M 130 " (cutoff:3.500A) removed outlier: 5.578A pdb=" N ASN M 130 " --> pdb=" O THR M 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU M 294 " --> pdb=" O LEU M 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU M 128 " --> pdb=" O GLU M 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU M 296 " --> pdb=" O TYR M 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR M 126 " --> pdb=" O GLU M 296 " (cutoff:3.500A) removed outlier: 6.970A pdb=" N GLU M 298 " --> pdb=" O VAL M 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL M 124 " --> pdb=" O GLU M 298 " (cutoff:3.500A) Processing sheet with id=AK2, first strand: chain 'M' and resid 189 through 191 removed outlier: 4.669A pdb=" N HIS M 271 " --> pdb=" O ILE M 83 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY M 270 " --> pdb=" O ASP M 162 " (cutoff:3.500A) removed outlier: 3.865A pdb=" N TRP 2 47 " --> pdb=" O TYR M 210 " (cutoff:3.500A) Processing sheet with id=AK3, first strand: chain 'M' and resid 169 through 170 removed outlier: 4.326A pdb=" N TRP M 178 " --> pdb=" O ILE M 341 " (cutoff:3.500A) Processing sheet with id=AK4, first strand: chain 'M' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER M 335 " --> pdb=" O ASN M 342 " (cutoff:3.500A) Processing sheet with id=AK5, first strand: chain 'M' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP M 229 " --> pdb=" O GLN M 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AK5 Processing sheet with id=AK6, first strand: chain 'M' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS M 257 " --> pdb=" O HIS M 368 " (cutoff:3.500A) Processing sheet with id=AK7, first strand: chain 'N' and resid 47 through 48 removed outlier: 3.866A pdb=" N TRP N 47 " --> pdb=" O TYR P 210 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N GLY P 270 " --> pdb=" O ASP P 162 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N HIS P 271 " --> pdb=" O ILE P 83 " (cutoff:3.500A) Processing sheet with id=AK8, first strand: chain 'N' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY N 74 " --> pdb=" O LEU N 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU N 287 " --> pdb=" O GLY N 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR N 292 " --> pdb=" O ASN N 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN N 130 " --> pdb=" O THR N 292 " (cutoff:3.500A) removed outlier: 7.112A pdb=" N GLU N 294 " --> pdb=" O LEU N 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU N 128 " --> pdb=" O GLU N 294 " (cutoff:3.500A) removed outlier: 6.630A pdb=" N GLU N 296 " --> pdb=" O TYR N 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR N 126 " --> pdb=" O GLU N 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU N 298 " --> pdb=" O VAL N 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL N 124 " --> pdb=" O GLU N 298 " (cutoff:3.500A) Processing sheet with id=AK9, first strand: chain 'N' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR N 292 " --> pdb=" O ASN N 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN N 130 " --> pdb=" O THR N 292 " (cutoff:3.500A) removed outlier: 7.112A pdb=" N GLU N 294 " --> pdb=" O LEU N 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU N 128 " --> pdb=" O GLU N 294 " (cutoff:3.500A) removed outlier: 6.630A pdb=" N GLU N 296 " --> pdb=" O TYR N 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR N 126 " --> pdb=" O GLU N 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU N 298 " --> pdb=" O VAL N 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL N 124 " --> pdb=" O GLU N 298 " (cutoff:3.500A) Processing sheet with id=AL1, first strand: chain 'N' and resid 169 through 170 removed outlier: 4.326A pdb=" N TRP N 178 " --> pdb=" O ILE N 341 " (cutoff:3.500A) Processing sheet with id=AL2, first strand: chain 'N' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER N 335 " --> pdb=" O ASN N 342 " (cutoff:3.500A) Processing sheet with id=AL3, first strand: chain 'N' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP N 229 " --> pdb=" O GLN N 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AL3 Processing sheet with id=AL4, first strand: chain 'N' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS N 257 " --> pdb=" O HIS N 368 " (cutoff:3.500A) Processing sheet with id=AL5, first strand: chain 'O' and resid 47 through 48 removed outlier: 3.867A pdb=" N TRP O 47 " --> pdb=" O TYR g 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY g 270 " --> pdb=" O ASP g 162 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N HIS g 271 " --> pdb=" O ILE g 83 " (cutoff:3.500A) Processing sheet with id=AL6, first strand: chain 'O' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY O 74 " --> pdb=" O LEU O 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU O 287 " --> pdb=" O GLY O 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR O 292 " --> pdb=" O ASN O 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN O 130 " --> pdb=" O THR O 292 " (cutoff:3.500A) removed outlier: 7.112A pdb=" N GLU O 294 " --> pdb=" O LEU O 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU O 128 " --> pdb=" O GLU O 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU O 296 " --> pdb=" O TYR O 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR O 126 " --> pdb=" O GLU O 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU O 298 " --> pdb=" O VAL O 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL O 124 " --> pdb=" O GLU O 298 " (cutoff:3.500A) Processing sheet with id=AL7, first strand: chain 'O' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR O 292 " --> pdb=" O ASN O 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN O 130 " --> pdb=" O THR O 292 " (cutoff:3.500A) removed outlier: 7.112A pdb=" N GLU O 294 " --> pdb=" O LEU O 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU O 128 " --> pdb=" O GLU O 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU O 296 " --> pdb=" O TYR O 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR O 126 " --> pdb=" O GLU O 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU O 298 " --> pdb=" O VAL O 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL O 124 " --> pdb=" O GLU O 298 " (cutoff:3.500A) Processing sheet with id=AL8, first strand: chain 'O' and resid 189 through 191 removed outlier: 4.668A pdb=" N HIS O 271 " --> pdb=" O ILE O 83 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY O 270 " --> pdb=" O ASP O 162 " (cutoff:3.500A) removed outlier: 3.864A pdb=" N TRP h 47 " --> pdb=" O TYR O 210 " (cutoff:3.500A) Processing sheet with id=AL9, first strand: chain 'O' and resid 169 through 170 removed outlier: 4.326A pdb=" N TRP O 178 " --> pdb=" O ILE O 341 " (cutoff:3.500A) Processing sheet with id=AM1, first strand: chain 'O' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER O 335 " --> pdb=" O ASN O 342 " (cutoff:3.500A) Processing sheet with id=AM2, first strand: chain 'O' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP O 229 " --> pdb=" O GLN O 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AM2 Processing sheet with id=AM3, first strand: chain 'O' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS O 257 " --> pdb=" O HIS O 368 " (cutoff:3.500A) Processing sheet with id=AM4, first strand: chain 'P' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY P 74 " --> pdb=" O LEU P 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU P 287 " --> pdb=" O GLY P 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR P 292 " --> pdb=" O ASN P 130 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N ASN P 130 " --> pdb=" O THR P 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU P 294 " --> pdb=" O LEU P 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU P 128 " --> pdb=" O GLU P 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU P 296 " --> pdb=" O TYR P 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR P 126 " --> pdb=" O GLU P 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU P 298 " --> pdb=" O VAL P 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL P 124 " --> pdb=" O GLU P 298 " (cutoff:3.500A) Processing sheet with id=AM5, first strand: chain 'P' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR P 292 " --> pdb=" O ASN P 130 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N ASN P 130 " --> pdb=" O THR P 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU P 294 " --> pdb=" O LEU P 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU P 128 " --> pdb=" O GLU P 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU P 296 " --> pdb=" O TYR P 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR P 126 " --> pdb=" O GLU P 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU P 298 " --> pdb=" O VAL P 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL P 124 " --> pdb=" O GLU P 298 " (cutoff:3.500A) Processing sheet with id=AM6, first strand: chain 'P' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP P 178 " --> pdb=" O ILE P 341 " (cutoff:3.500A) Processing sheet with id=AM7, first strand: chain 'P' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER P 335 " --> pdb=" O ASN P 342 " (cutoff:3.500A) Processing sheet with id=AM8, first strand: chain 'P' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP P 229 " --> pdb=" O GLN P 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AM8 Processing sheet with id=AM9, first strand: chain 'P' and resid 257 through 262 removed outlier: 3.511A pdb=" N HIS P 257 " --> pdb=" O HIS P 368 " (cutoff:3.500A) Processing sheet with id=AN1, first strand: chain 'Q' and resid 59 through 75 removed outlier: 4.680A pdb=" N GLY Q 74 " --> pdb=" O LEU Q 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU Q 287 " --> pdb=" O GLY Q 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR Q 292 " --> pdb=" O ASN Q 130 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N ASN Q 130 " --> pdb=" O THR Q 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU Q 294 " --> pdb=" O LEU Q 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU Q 128 " --> pdb=" O GLU Q 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU Q 296 " --> pdb=" O TYR Q 126 " (cutoff:3.500A) removed outlier: 4.985A pdb=" N TYR Q 126 " --> pdb=" O GLU Q 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU Q 298 " --> pdb=" O VAL Q 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL Q 124 " --> pdb=" O GLU Q 298 " (cutoff:3.500A) Processing sheet with id=AN2, first strand: chain 'Q' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR Q 292 " --> pdb=" O ASN Q 130 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N ASN Q 130 " --> pdb=" O THR Q 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU Q 294 " --> pdb=" O LEU Q 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU Q 128 " --> pdb=" O GLU Q 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU Q 296 " --> pdb=" O TYR Q 126 " (cutoff:3.500A) removed outlier: 4.985A pdb=" N TYR Q 126 " --> pdb=" O GLU Q 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU Q 298 " --> pdb=" O VAL Q 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL Q 124 " --> pdb=" O GLU Q 298 " (cutoff:3.500A) Processing sheet with id=AN3, first strand: chain 'Q' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP Q 178 " --> pdb=" O ILE Q 341 " (cutoff:3.500A) Processing sheet with id=AN4, first strand: chain 'Q' and resid 169 through 170 removed outlier: 7.378A pdb=" N SER Q 335 " --> pdb=" O ASN Q 342 " (cutoff:3.500A) Processing sheet with id=AN5, first strand: chain 'Q' and resid 229 through 230 removed outlier: 6.225A pdb=" N TRP Q 229 " --> pdb=" O GLN Q 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AN5 Processing sheet with id=AN6, first strand: chain 'Q' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS Q 257 " --> pdb=" O HIS Q 368 " (cutoff:3.500A) Processing sheet with id=AN7, first strand: chain 'R' and resid 47 through 48 removed outlier: 3.858A pdb=" N TRP R 47 " --> pdb=" O TYR S 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY S 270 " --> pdb=" O ASP S 162 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N HIS S 271 " --> pdb=" O ILE S 83 " (cutoff:3.500A) Processing sheet with id=AN8, first strand: chain 'R' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY R 74 " --> pdb=" O LEU R 287 " (cutoff:3.500A) removed outlier: 7.511A pdb=" N LEU R 287 " --> pdb=" O GLY R 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR R 292 " --> pdb=" O ASN R 130 " (cutoff:3.500A) removed outlier: 5.578A pdb=" N ASN R 130 " --> pdb=" O THR R 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU R 294 " --> pdb=" O LEU R 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU R 128 " --> pdb=" O GLU R 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU R 296 " --> pdb=" O TYR R 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR R 126 " --> pdb=" O GLU R 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU R 298 " --> pdb=" O VAL R 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL R 124 " --> pdb=" O GLU R 298 " (cutoff:3.500A) Processing sheet with id=AN9, first strand: chain 'R' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR R 292 " --> pdb=" O ASN R 130 " (cutoff:3.500A) removed outlier: 5.578A pdb=" N ASN R 130 " --> pdb=" O THR R 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU R 294 " --> pdb=" O LEU R 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU R 128 " --> pdb=" O GLU R 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU R 296 " --> pdb=" O TYR R 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR R 126 " --> pdb=" O GLU R 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU R 298 " --> pdb=" O VAL R 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL R 124 " --> pdb=" O GLU R 298 " (cutoff:3.500A) Processing sheet with id=AO1, first strand: chain 'R' and resid 189 through 191 removed outlier: 4.668A pdb=" N HIS R 271 " --> pdb=" O ILE R 83 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY R 270 " --> pdb=" O ASP R 162 " (cutoff:3.500A) removed outlier: 3.865A pdb=" N TRP U 47 " --> pdb=" O TYR R 210 " (cutoff:3.500A) Processing sheet with id=AO2, first strand: chain 'R' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP R 178 " --> pdb=" O ILE R 341 " (cutoff:3.500A) Processing sheet with id=AO3, first strand: chain 'R' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER R 335 " --> pdb=" O ASN R 342 " (cutoff:3.500A) Processing sheet with id=AO4, first strand: chain 'R' and resid 229 through 230 removed outlier: 6.225A pdb=" N TRP R 229 " --> pdb=" O GLN R 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AO4 Processing sheet with id=AO5, first strand: chain 'R' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS R 257 " --> pdb=" O HIS R 368 " (cutoff:3.500A) Processing sheet with id=AO6, first strand: chain 'S' and resid 47 through 48 removed outlier: 3.865A pdb=" N TRP S 47 " --> pdb=" O TYR U 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY U 270 " --> pdb=" O ASP U 162 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N HIS U 271 " --> pdb=" O ILE U 83 " (cutoff:3.500A) Processing sheet with id=AO7, first strand: chain 'S' and resid 59 through 75 removed outlier: 4.682A pdb=" N GLY S 74 " --> pdb=" O LEU S 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU S 287 " --> pdb=" O GLY S 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR S 292 " --> pdb=" O ASN S 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN S 130 " --> pdb=" O THR S 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU S 294 " --> pdb=" O LEU S 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU S 128 " --> pdb=" O GLU S 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU S 296 " --> pdb=" O TYR S 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR S 126 " --> pdb=" O GLU S 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU S 298 " --> pdb=" O VAL S 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL S 124 " --> pdb=" O GLU S 298 " (cutoff:3.500A) Processing sheet with id=AO8, first strand: chain 'S' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR S 292 " --> pdb=" O ASN S 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN S 130 " --> pdb=" O THR S 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU S 294 " --> pdb=" O LEU S 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU S 128 " --> pdb=" O GLU S 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU S 296 " --> pdb=" O TYR S 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR S 126 " --> pdb=" O GLU S 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU S 298 " --> pdb=" O VAL S 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL S 124 " --> pdb=" O GLU S 298 " (cutoff:3.500A) Processing sheet with id=AO9, first strand: chain 'S' and resid 169 through 170 removed outlier: 4.326A pdb=" N TRP S 178 " --> pdb=" O ILE S 341 " (cutoff:3.500A) Processing sheet with id=AP1, first strand: chain 'S' and resid 169 through 170 removed outlier: 7.376A pdb=" N SER S 335 " --> pdb=" O ASN S 342 " (cutoff:3.500A) Processing sheet with id=AP2, first strand: chain 'S' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP S 229 " --> pdb=" O GLN S 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AP2 Processing sheet with id=AP3, first strand: chain 'S' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS S 257 " --> pdb=" O HIS S 368 " (cutoff:3.500A) Processing sheet with id=AP4, first strand: chain 'T' and resid 47 through 48 removed outlier: 3.868A pdb=" N TRP T 47 " --> pdb=" O TYR 4 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY 4 270 " --> pdb=" O ASP 4 162 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N HIS 4 271 " --> pdb=" O ILE 4 83 " (cutoff:3.500A) Processing sheet with id=AP5, first strand: chain 'T' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY T 74 " --> pdb=" O LEU T 287 " (cutoff:3.500A) removed outlier: 7.509A pdb=" N LEU T 287 " --> pdb=" O GLY T 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR T 292 " --> pdb=" O ASN T 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN T 130 " --> pdb=" O THR T 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU T 294 " --> pdb=" O LEU T 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU T 128 " --> pdb=" O GLU T 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU T 296 " --> pdb=" O TYR T 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR T 126 " --> pdb=" O GLU T 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU T 298 " --> pdb=" O VAL T 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL T 124 " --> pdb=" O GLU T 298 " (cutoff:3.500A) Processing sheet with id=AP6, first strand: chain 'T' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR T 292 " --> pdb=" O ASN T 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN T 130 " --> pdb=" O THR T 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU T 294 " --> pdb=" O LEU T 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU T 128 " --> pdb=" O GLU T 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU T 296 " --> pdb=" O TYR T 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR T 126 " --> pdb=" O GLU T 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU T 298 " --> pdb=" O VAL T 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL T 124 " --> pdb=" O GLU T 298 " (cutoff:3.500A) Processing sheet with id=AP7, first strand: chain 'T' and resid 189 through 191 removed outlier: 4.668A pdb=" N HIS T 271 " --> pdb=" O ILE T 83 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY T 270 " --> pdb=" O ASP T 162 " (cutoff:3.500A) removed outlier: 3.869A pdb=" N TRP f 47 " --> pdb=" O TYR T 210 " (cutoff:3.500A) Processing sheet with id=AP8, first strand: chain 'T' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP T 178 " --> pdb=" O ILE T 341 " (cutoff:3.500A) Processing sheet with id=AP9, first strand: chain 'T' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER T 335 " --> pdb=" O ASN T 342 " (cutoff:3.500A) Processing sheet with id=AQ1, first strand: chain 'T' and resid 229 through 230 removed outlier: 6.225A pdb=" N TRP T 229 " --> pdb=" O GLN T 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AQ1 Processing sheet with id=AQ2, first strand: chain 'T' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS T 257 " --> pdb=" O HIS T 368 " (cutoff:3.500A) Processing sheet with id=AQ3, first strand: chain 'U' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY U 74 " --> pdb=" O LEU U 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU U 287 " --> pdb=" O GLY U 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR U 292 " --> pdb=" O ASN U 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN U 130 " --> pdb=" O THR U 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU U 294 " --> pdb=" O LEU U 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU U 128 " --> pdb=" O GLU U 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU U 296 " --> pdb=" O TYR U 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR U 126 " --> pdb=" O GLU U 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU U 298 " --> pdb=" O VAL U 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL U 124 " --> pdb=" O GLU U 298 " (cutoff:3.500A) Processing sheet with id=AQ4, first strand: chain 'U' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR U 292 " --> pdb=" O ASN U 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN U 130 " --> pdb=" O THR U 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU U 294 " --> pdb=" O LEU U 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU U 128 " --> pdb=" O GLU U 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU U 296 " --> pdb=" O TYR U 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR U 126 " --> pdb=" O GLU U 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU U 298 " --> pdb=" O VAL U 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL U 124 " --> pdb=" O GLU U 298 " (cutoff:3.500A) Processing sheet with id=AQ5, first strand: chain 'U' and resid 169 through 170 removed outlier: 4.326A pdb=" N TRP U 178 " --> pdb=" O ILE U 341 " (cutoff:3.500A) Processing sheet with id=AQ6, first strand: chain 'U' and resid 169 through 170 removed outlier: 7.378A pdb=" N SER U 335 " --> pdb=" O ASN U 342 " (cutoff:3.500A) Processing sheet with id=AQ7, first strand: chain 'U' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP U 229 " --> pdb=" O GLN U 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AQ7 Processing sheet with id=AQ8, first strand: chain 'U' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS U 257 " --> pdb=" O HIS U 368 " (cutoff:3.500A) Processing sheet with id=AQ9, first strand: chain 'V' and resid 47 through 48 removed outlier: 3.863A pdb=" N TRP V 47 " --> pdb=" O TYR 5 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY 5 270 " --> pdb=" O ASP 5 162 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N HIS 5 271 " --> pdb=" O ILE 5 83 " (cutoff:3.500A) Processing sheet with id=AR1, first strand: chain 'V' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY V 74 " --> pdb=" O LEU V 287 " (cutoff:3.500A) removed outlier: 7.509A pdb=" N LEU V 287 " --> pdb=" O GLY V 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR V 292 " --> pdb=" O ASN V 130 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N ASN V 130 " --> pdb=" O THR V 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU V 294 " --> pdb=" O LEU V 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU V 128 " --> pdb=" O GLU V 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU V 296 " --> pdb=" O TYR V 126 " (cutoff:3.500A) removed outlier: 4.985A pdb=" N TYR V 126 " --> pdb=" O GLU V 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU V 298 " --> pdb=" O VAL V 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL V 124 " --> pdb=" O GLU V 298 " (cutoff:3.500A) Processing sheet with id=AR2, first strand: chain 'V' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR V 292 " --> pdb=" O ASN V 130 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N ASN V 130 " --> pdb=" O THR V 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU V 294 " --> pdb=" O LEU V 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU V 128 " --> pdb=" O GLU V 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU V 296 " --> pdb=" O TYR V 126 " (cutoff:3.500A) removed outlier: 4.985A pdb=" N TYR V 126 " --> pdb=" O GLU V 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU V 298 " --> pdb=" O VAL V 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL V 124 " --> pdb=" O GLU V 298 " (cutoff:3.500A) Processing sheet with id=AR3, first strand: chain 'V' and resid 189 through 191 removed outlier: 4.668A pdb=" N HIS V 271 " --> pdb=" O ILE V 83 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY V 270 " --> pdb=" O ASP V 162 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N TRP X 47 " --> pdb=" O TYR V 210 " (cutoff:3.500A) Processing sheet with id=AR4, first strand: chain 'V' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP V 178 " --> pdb=" O ILE V 341 " (cutoff:3.500A) Processing sheet with id=AR5, first strand: chain 'V' and resid 169 through 170 removed outlier: 7.378A pdb=" N SER V 335 " --> pdb=" O ASN V 342 " (cutoff:3.500A) Processing sheet with id=AR6, first strand: chain 'V' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP V 229 " --> pdb=" O GLN V 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AR6 Processing sheet with id=AR7, first strand: chain 'V' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS V 257 " --> pdb=" O HIS V 368 " (cutoff:3.500A) Processing sheet with id=AR8, first strand: chain 'W' and resid 47 through 48 removed outlier: 3.861A pdb=" N TRP W 47 " --> pdb=" O TYR Y 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY Y 270 " --> pdb=" O ASP Y 162 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N HIS Y 271 " --> pdb=" O ILE Y 83 " (cutoff:3.500A) Processing sheet with id=AR9, first strand: chain 'W' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY W 74 " --> pdb=" O LEU W 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU W 287 " --> pdb=" O GLY W 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR W 292 " --> pdb=" O ASN W 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN W 130 " --> pdb=" O THR W 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU W 294 " --> pdb=" O LEU W 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU W 128 " --> pdb=" O GLU W 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU W 296 " --> pdb=" O TYR W 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR W 126 " --> pdb=" O GLU W 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU W 298 " --> pdb=" O VAL W 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL W 124 " --> pdb=" O GLU W 298 " (cutoff:3.500A) Processing sheet with id=AS1, first strand: chain 'W' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR W 292 " --> pdb=" O ASN W 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN W 130 " --> pdb=" O THR W 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU W 294 " --> pdb=" O LEU W 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU W 128 " --> pdb=" O GLU W 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU W 296 " --> pdb=" O TYR W 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR W 126 " --> pdb=" O GLU W 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU W 298 " --> pdb=" O VAL W 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL W 124 " --> pdb=" O GLU W 298 " (cutoff:3.500A) Processing sheet with id=AS2, first strand: chain 'W' and resid 169 through 170 removed outlier: 4.326A pdb=" N TRP W 178 " --> pdb=" O ILE W 341 " (cutoff:3.500A) Processing sheet with id=AS3, first strand: chain 'W' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER W 335 " --> pdb=" O ASN W 342 " (cutoff:3.500A) Processing sheet with id=AS4, first strand: chain 'W' and resid 229 through 230 removed outlier: 6.225A pdb=" N TRP W 229 " --> pdb=" O GLN W 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AS4 Processing sheet with id=AS5, first strand: chain 'W' and resid 257 through 262 removed outlier: 3.511A pdb=" N HIS W 257 " --> pdb=" O HIS W 368 " (cutoff:3.500A) Processing sheet with id=AS6, first strand: chain 'X' and resid 59 through 75 removed outlier: 4.682A pdb=" N GLY X 74 " --> pdb=" O LEU X 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU X 287 " --> pdb=" O GLY X 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR X 292 " --> pdb=" O ASN X 130 " (cutoff:3.500A) removed outlier: 5.578A pdb=" N ASN X 130 " --> pdb=" O THR X 292 " (cutoff:3.500A) removed outlier: 7.112A pdb=" N GLU X 294 " --> pdb=" O LEU X 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU X 128 " --> pdb=" O GLU X 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU X 296 " --> pdb=" O TYR X 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR X 126 " --> pdb=" O GLU X 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU X 298 " --> pdb=" O VAL X 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL X 124 " --> pdb=" O GLU X 298 " (cutoff:3.500A) Processing sheet with id=AS7, first strand: chain 'X' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR X 292 " --> pdb=" O ASN X 130 " (cutoff:3.500A) removed outlier: 5.578A pdb=" N ASN X 130 " --> pdb=" O THR X 292 " (cutoff:3.500A) removed outlier: 7.112A pdb=" N GLU X 294 " --> pdb=" O LEU X 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU X 128 " --> pdb=" O GLU X 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU X 296 " --> pdb=" O TYR X 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR X 126 " --> pdb=" O GLU X 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU X 298 " --> pdb=" O VAL X 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL X 124 " --> pdb=" O GLU X 298 " (cutoff:3.500A) Processing sheet with id=AS8, first strand: chain 'X' and resid 189 through 191 removed outlier: 4.669A pdb=" N HIS X 271 " --> pdb=" O ILE X 83 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N GLY X 270 " --> pdb=" O ASP X 162 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N TRP 5 47 " --> pdb=" O TYR X 210 " (cutoff:3.500A) Processing sheet with id=AS9, first strand: chain 'X' and resid 169 through 170 removed outlier: 4.326A pdb=" N TRP X 178 " --> pdb=" O ILE X 341 " (cutoff:3.500A) Processing sheet with id=AT1, first strand: chain 'X' and resid 169 through 170 removed outlier: 7.378A pdb=" N SER X 335 " --> pdb=" O ASN X 342 " (cutoff:3.500A) Processing sheet with id=AT2, first strand: chain 'X' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP X 229 " --> pdb=" O GLN X 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AT2 Processing sheet with id=AT3, first strand: chain 'X' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS X 257 " --> pdb=" O HIS X 368 " (cutoff:3.500A) Processing sheet with id=AT4, first strand: chain 'Y' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY Y 74 " --> pdb=" O LEU Y 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU Y 287 " --> pdb=" O GLY Y 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR Y 292 " --> pdb=" O ASN Y 130 " (cutoff:3.500A) removed outlier: 5.578A pdb=" N ASN Y 130 " --> pdb=" O THR Y 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU Y 294 " --> pdb=" O LEU Y 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU Y 128 " --> pdb=" O GLU Y 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU Y 296 " --> pdb=" O TYR Y 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR Y 126 " --> pdb=" O GLU Y 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU Y 298 " --> pdb=" O VAL Y 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL Y 124 " --> pdb=" O GLU Y 298 " (cutoff:3.500A) Processing sheet with id=AT5, first strand: chain 'Y' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR Y 292 " --> pdb=" O ASN Y 130 " (cutoff:3.500A) removed outlier: 5.578A pdb=" N ASN Y 130 " --> pdb=" O THR Y 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU Y 294 " --> pdb=" O LEU Y 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU Y 128 " --> pdb=" O GLU Y 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU Y 296 " --> pdb=" O TYR Y 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR Y 126 " --> pdb=" O GLU Y 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU Y 298 " --> pdb=" O VAL Y 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL Y 124 " --> pdb=" O GLU Y 298 " (cutoff:3.500A) Processing sheet with id=AT6, first strand: chain 'Y' and resid 169 through 170 removed outlier: 4.326A pdb=" N TRP Y 178 " --> pdb=" O ILE Y 341 " (cutoff:3.500A) Processing sheet with id=AT7, first strand: chain 'Y' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER Y 335 " --> pdb=" O ASN Y 342 " (cutoff:3.500A) Processing sheet with id=AT8, first strand: chain 'Y' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP Y 229 " --> pdb=" O GLN Y 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AT8 Processing sheet with id=AT9, first strand: chain 'Y' and resid 257 through 262 removed outlier: 3.509A pdb=" N HIS Y 257 " --> pdb=" O HIS Y 368 " (cutoff:3.500A) Processing sheet with id=AU1, first strand: chain 'Z' and resid 47 through 48 removed outlier: 3.868A pdb=" N TRP Z 47 " --> pdb=" O TYR x 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY x 270 " --> pdb=" O ASP x 162 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N HIS x 271 " --> pdb=" O ILE x 83 " (cutoff:3.500A) Processing sheet with id=AU2, first strand: chain 'Z' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY Z 74 " --> pdb=" O LEU Z 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU Z 287 " --> pdb=" O GLY Z 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR Z 292 " --> pdb=" O ASN Z 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN Z 130 " --> pdb=" O THR Z 292 " (cutoff:3.500A) removed outlier: 7.112A pdb=" N GLU Z 294 " --> pdb=" O LEU Z 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU Z 128 " --> pdb=" O GLU Z 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU Z 296 " --> pdb=" O TYR Z 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR Z 126 " --> pdb=" O GLU Z 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU Z 298 " --> pdb=" O VAL Z 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL Z 124 " --> pdb=" O GLU Z 298 " (cutoff:3.500A) Processing sheet with id=AU3, first strand: chain 'Z' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR Z 292 " --> pdb=" O ASN Z 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN Z 130 " --> pdb=" O THR Z 292 " (cutoff:3.500A) removed outlier: 7.112A pdb=" N GLU Z 294 " --> pdb=" O LEU Z 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU Z 128 " --> pdb=" O GLU Z 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU Z 296 " --> pdb=" O TYR Z 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR Z 126 " --> pdb=" O GLU Z 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU Z 298 " --> pdb=" O VAL Z 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL Z 124 " --> pdb=" O GLU Z 298 " (cutoff:3.500A) Processing sheet with id=AU4, first strand: chain 'Z' and resid 189 through 191 removed outlier: 4.669A pdb=" N HIS Z 271 " --> pdb=" O ILE Z 83 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY Z 270 " --> pdb=" O ASP Z 162 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N TRP w 47 " --> pdb=" O TYR Z 210 " (cutoff:3.500A) Processing sheet with id=AU5, first strand: chain 'Z' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP Z 178 " --> pdb=" O ILE Z 341 " (cutoff:3.500A) Processing sheet with id=AU6, first strand: chain 'Z' and resid 169 through 170 removed outlier: 7.378A pdb=" N SER Z 335 " --> pdb=" O ASN Z 342 " (cutoff:3.500A) Processing sheet with id=AU7, first strand: chain 'Z' and resid 229 through 230 removed outlier: 6.225A pdb=" N TRP Z 229 " --> pdb=" O GLN Z 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AU7 Processing sheet with id=AU8, first strand: chain 'Z' and resid 257 through 262 removed outlier: 3.511A pdb=" N HIS Z 257 " --> pdb=" O HIS Z 368 " (cutoff:3.500A) Processing sheet with id=AU9, first strand: chain '1' and resid 47 through 48 removed outlier: 3.863A pdb=" N TRP 1 47 " --> pdb=" O TYR 8 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY 8 270 " --> pdb=" O ASP 8 162 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N HIS 8 271 " --> pdb=" O ILE 8 83 " (cutoff:3.500A) Processing sheet with id=AV1, first strand: chain '1' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY 1 74 " --> pdb=" O LEU 1 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU 1 287 " --> pdb=" O GLY 1 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR 1 292 " --> pdb=" O ASN 1 130 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N ASN 1 130 " --> pdb=" O THR 1 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU 1 294 " --> pdb=" O LEU 1 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU 1 128 " --> pdb=" O GLU 1 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU 1 296 " --> pdb=" O TYR 1 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR 1 126 " --> pdb=" O GLU 1 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU 1 298 " --> pdb=" O VAL 1 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL 1 124 " --> pdb=" O GLU 1 298 " (cutoff:3.500A) Processing sheet with id=AV2, first strand: chain '1' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR 1 292 " --> pdb=" O ASN 1 130 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N ASN 1 130 " --> pdb=" O THR 1 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU 1 294 " --> pdb=" O LEU 1 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU 1 128 " --> pdb=" O GLU 1 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU 1 296 " --> pdb=" O TYR 1 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR 1 126 " --> pdb=" O GLU 1 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU 1 298 " --> pdb=" O VAL 1 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL 1 124 " --> pdb=" O GLU 1 298 " (cutoff:3.500A) Processing sheet with id=AV3, first strand: chain '1' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP 1 178 " --> pdb=" O ILE 1 341 " (cutoff:3.500A) Processing sheet with id=AV4, first strand: chain '1' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER 1 335 " --> pdb=" O ASN 1 342 " (cutoff:3.500A) Processing sheet with id=AV5, first strand: chain '1' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP 1 229 " --> pdb=" O GLN 1 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AV5 Processing sheet with id=AV6, first strand: chain '1' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS 1 257 " --> pdb=" O HIS 1 368 " (cutoff:3.500A) Processing sheet with id=AV7, first strand: chain '2' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY 2 74 " --> pdb=" O LEU 2 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU 2 287 " --> pdb=" O GLY 2 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR 2 292 " --> pdb=" O ASN 2 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN 2 130 " --> pdb=" O THR 2 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU 2 294 " --> pdb=" O LEU 2 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU 2 128 " --> pdb=" O GLU 2 294 " (cutoff:3.500A) removed outlier: 6.628A pdb=" N GLU 2 296 " --> pdb=" O TYR 2 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR 2 126 " --> pdb=" O GLU 2 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU 2 298 " --> pdb=" O VAL 2 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL 2 124 " --> pdb=" O GLU 2 298 " (cutoff:3.500A) Processing sheet with id=AV8, first strand: chain '2' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR 2 292 " --> pdb=" O ASN 2 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN 2 130 " --> pdb=" O THR 2 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU 2 294 " --> pdb=" O LEU 2 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU 2 128 " --> pdb=" O GLU 2 294 " (cutoff:3.500A) removed outlier: 6.628A pdb=" N GLU 2 296 " --> pdb=" O TYR 2 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR 2 126 " --> pdb=" O GLU 2 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU 2 298 " --> pdb=" O VAL 2 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL 2 124 " --> pdb=" O GLU 2 298 " (cutoff:3.500A) Processing sheet with id=AV9, first strand: chain '2' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP 2 178 " --> pdb=" O ILE 2 341 " (cutoff:3.500A) Processing sheet with id=AW1, first strand: chain '2' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER 2 335 " --> pdb=" O ASN 2 342 " (cutoff:3.500A) Processing sheet with id=AW2, first strand: chain '2' and resid 229 through 230 removed outlier: 6.225A pdb=" N TRP 2 229 " --> pdb=" O GLN 2 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AW2 Processing sheet with id=AW3, first strand: chain '2' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS 2 257 " --> pdb=" O HIS 2 368 " (cutoff:3.500A) Processing sheet with id=AW4, first strand: chain '3' and resid 47 through 48 removed outlier: 3.862A pdb=" N TRP 3 47 " --> pdb=" O TYR i 210 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N GLY i 270 " --> pdb=" O ASP i 162 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N HIS i 271 " --> pdb=" O ILE i 83 " (cutoff:3.500A) Processing sheet with id=AW5, first strand: chain '3' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY 3 74 " --> pdb=" O LEU 3 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU 3 287 " --> pdb=" O GLY 3 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR 3 292 " --> pdb=" O ASN 3 130 " (cutoff:3.500A) removed outlier: 5.578A pdb=" N ASN 3 130 " --> pdb=" O THR 3 292 " (cutoff:3.500A) removed outlier: 7.112A pdb=" N GLU 3 294 " --> pdb=" O LEU 3 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU 3 128 " --> pdb=" O GLU 3 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU 3 296 " --> pdb=" O TYR 3 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR 3 126 " --> pdb=" O GLU 3 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU 3 298 " --> pdb=" O VAL 3 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL 3 124 " --> pdb=" O GLU 3 298 " (cutoff:3.500A) Processing sheet with id=AW6, first strand: chain '3' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR 3 292 " --> pdb=" O ASN 3 130 " (cutoff:3.500A) removed outlier: 5.578A pdb=" N ASN 3 130 " --> pdb=" O THR 3 292 " (cutoff:3.500A) removed outlier: 7.112A pdb=" N GLU 3 294 " --> pdb=" O LEU 3 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU 3 128 " --> pdb=" O GLU 3 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU 3 296 " --> pdb=" O TYR 3 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR 3 126 " --> pdb=" O GLU 3 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU 3 298 " --> pdb=" O VAL 3 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL 3 124 " --> pdb=" O GLU 3 298 " (cutoff:3.500A) Processing sheet with id=AW7, first strand: chain '3' and resid 189 through 191 removed outlier: 4.669A pdb=" N HIS 3 271 " --> pdb=" O ILE 3 83 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY 3 270 " --> pdb=" O ASP 3 162 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N TRP j 47 " --> pdb=" O TYR 3 210 " (cutoff:3.500A) Processing sheet with id=AW8, first strand: chain '3' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP 3 178 " --> pdb=" O ILE 3 341 " (cutoff:3.500A) Processing sheet with id=AW9, first strand: chain '3' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER 3 335 " --> pdb=" O ASN 3 342 " (cutoff:3.500A) Processing sheet with id=AX1, first strand: chain '3' and resid 229 through 230 removed outlier: 6.225A pdb=" N TRP 3 229 " --> pdb=" O GLN 3 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AX1 Processing sheet with id=AX2, first strand: chain '3' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS 3 257 " --> pdb=" O HIS 3 368 " (cutoff:3.500A) Processing sheet with id=AX3, first strand: chain '4' and resid 47 through 48 removed outlier: 3.864A pdb=" N TRP 4 47 " --> pdb=" O TYR f 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY f 270 " --> pdb=" O ASP f 162 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N HIS f 271 " --> pdb=" O ILE f 83 " (cutoff:3.500A) Processing sheet with id=AX4, first strand: chain '4' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY 4 74 " --> pdb=" O LEU 4 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU 4 287 " --> pdb=" O GLY 4 74 " (cutoff:3.500A) removed outlier: 4.370A pdb=" N THR 4 292 " --> pdb=" O ASN 4 130 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N ASN 4 130 " --> pdb=" O THR 4 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU 4 294 " --> pdb=" O LEU 4 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU 4 128 " --> pdb=" O GLU 4 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU 4 296 " --> pdb=" O TYR 4 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR 4 126 " --> pdb=" O GLU 4 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU 4 298 " --> pdb=" O VAL 4 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL 4 124 " --> pdb=" O GLU 4 298 " (cutoff:3.500A) Processing sheet with id=AX5, first strand: chain '4' and resid 118 through 120 removed outlier: 4.370A pdb=" N THR 4 292 " --> pdb=" O ASN 4 130 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N ASN 4 130 " --> pdb=" O THR 4 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU 4 294 " --> pdb=" O LEU 4 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU 4 128 " --> pdb=" O GLU 4 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU 4 296 " --> pdb=" O TYR 4 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR 4 126 " --> pdb=" O GLU 4 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU 4 298 " --> pdb=" O VAL 4 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL 4 124 " --> pdb=" O GLU 4 298 " (cutoff:3.500A) Processing sheet with id=AX6, first strand: chain '4' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP 4 178 " --> pdb=" O ILE 4 341 " (cutoff:3.500A) Processing sheet with id=AX7, first strand: chain '4' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER 4 335 " --> pdb=" O ASN 4 342 " (cutoff:3.500A) Processing sheet with id=AX8, first strand: chain '4' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP 4 229 " --> pdb=" O GLN 4 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AX8 Processing sheet with id=AX9, first strand: chain '4' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS 4 257 " --> pdb=" O HIS 4 368 " (cutoff:3.500A) Processing sheet with id=AY1, first strand: chain '5' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY 5 74 " --> pdb=" O LEU 5 287 " (cutoff:3.500A) removed outlier: 7.509A pdb=" N LEU 5 287 " --> pdb=" O GLY 5 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR 5 292 " --> pdb=" O ASN 5 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN 5 130 " --> pdb=" O THR 5 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU 5 294 " --> pdb=" O LEU 5 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU 5 128 " --> pdb=" O GLU 5 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU 5 296 " --> pdb=" O TYR 5 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR 5 126 " --> pdb=" O GLU 5 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU 5 298 " --> pdb=" O VAL 5 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL 5 124 " --> pdb=" O GLU 5 298 " (cutoff:3.500A) Processing sheet with id=AY2, first strand: chain '5' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR 5 292 " --> pdb=" O ASN 5 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN 5 130 " --> pdb=" O THR 5 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU 5 294 " --> pdb=" O LEU 5 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU 5 128 " --> pdb=" O GLU 5 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU 5 296 " --> pdb=" O TYR 5 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR 5 126 " --> pdb=" O GLU 5 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU 5 298 " --> pdb=" O VAL 5 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL 5 124 " --> pdb=" O GLU 5 298 " (cutoff:3.500A) Processing sheet with id=AY3, first strand: chain '5' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP 5 178 " --> pdb=" O ILE 5 341 " (cutoff:3.500A) Processing sheet with id=AY4, first strand: chain '5' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER 5 335 " --> pdb=" O ASN 5 342 " (cutoff:3.500A) Processing sheet with id=AY5, first strand: chain '5' and resid 229 through 230 removed outlier: 6.225A pdb=" N TRP 5 229 " --> pdb=" O GLN 5 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AY5 Processing sheet with id=AY6, first strand: chain '5' and resid 257 through 262 removed outlier: 3.511A pdb=" N HIS 5 257 " --> pdb=" O HIS 5 368 " (cutoff:3.500A) Processing sheet with id=AY7, first strand: chain '6' and resid 47 through 48 removed outlier: 3.866A pdb=" N TRP 6 47 " --> pdb=" O TYR b 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY b 270 " --> pdb=" O ASP b 162 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N HIS b 271 " --> pdb=" O ILE b 83 " (cutoff:3.500A) Processing sheet with id=AY8, first strand: chain '6' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY 6 74 " --> pdb=" O LEU 6 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU 6 287 " --> pdb=" O GLY 6 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR 6 292 " --> pdb=" O ASN 6 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN 6 130 " --> pdb=" O THR 6 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU 6 294 " --> pdb=" O LEU 6 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU 6 128 " --> pdb=" O GLU 6 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU 6 296 " --> pdb=" O TYR 6 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR 6 126 " --> pdb=" O GLU 6 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU 6 298 " --> pdb=" O VAL 6 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL 6 124 " --> pdb=" O GLU 6 298 " (cutoff:3.500A) Processing sheet with id=AY9, first strand: chain '6' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR 6 292 " --> pdb=" O ASN 6 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN 6 130 " --> pdb=" O THR 6 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU 6 294 " --> pdb=" O LEU 6 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU 6 128 " --> pdb=" O GLU 6 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU 6 296 " --> pdb=" O TYR 6 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR 6 126 " --> pdb=" O GLU 6 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU 6 298 " --> pdb=" O VAL 6 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL 6 124 " --> pdb=" O GLU 6 298 " (cutoff:3.500A) Processing sheet with id=AZ1, first strand: chain '6' and resid 189 through 191 removed outlier: 4.669A pdb=" N HIS 6 271 " --> pdb=" O ILE 6 83 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY 6 270 " --> pdb=" O ASP 6 162 " (cutoff:3.500A) removed outlier: 3.860A pdb=" N TRP a 47 " --> pdb=" O TYR 6 210 " (cutoff:3.500A) Processing sheet with id=AZ2, first strand: chain '6' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP 6 178 " --> pdb=" O ILE 6 341 " (cutoff:3.500A) Processing sheet with id=AZ3, first strand: chain '6' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER 6 335 " --> pdb=" O ASN 6 342 " (cutoff:3.500A) Processing sheet with id=AZ4, first strand: chain '6' and resid 229 through 230 removed outlier: 6.225A pdb=" N TRP 6 229 " --> pdb=" O GLN 6 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=AZ4 Processing sheet with id=AZ5, first strand: chain '6' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS 6 257 " --> pdb=" O HIS 6 368 " (cutoff:3.500A) Processing sheet with id=AZ6, first strand: chain 'a' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY a 74 " --> pdb=" O LEU a 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU a 287 " --> pdb=" O GLY a 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR a 292 " --> pdb=" O ASN a 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN a 130 " --> pdb=" O THR a 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU a 294 " --> pdb=" O LEU a 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU a 128 " --> pdb=" O GLU a 294 " (cutoff:3.500A) removed outlier: 6.628A pdb=" N GLU a 296 " --> pdb=" O TYR a 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR a 126 " --> pdb=" O GLU a 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU a 298 " --> pdb=" O VAL a 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL a 124 " --> pdb=" O GLU a 298 " (cutoff:3.500A) Processing sheet with id=AZ7, first strand: chain 'a' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR a 292 " --> pdb=" O ASN a 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN a 130 " --> pdb=" O THR a 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU a 294 " --> pdb=" O LEU a 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU a 128 " --> pdb=" O GLU a 294 " (cutoff:3.500A) removed outlier: 6.628A pdb=" N GLU a 296 " --> pdb=" O TYR a 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR a 126 " --> pdb=" O GLU a 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU a 298 " --> pdb=" O VAL a 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL a 124 " --> pdb=" O GLU a 298 " (cutoff:3.500A) Processing sheet with id=AZ8, first strand: chain 'a' and resid 189 through 191 removed outlier: 4.668A pdb=" N HIS a 271 " --> pdb=" O ILE a 83 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY a 270 " --> pdb=" O ASP a 162 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N TRP b 47 " --> pdb=" O TYR a 210 " (cutoff:3.500A) Processing sheet with id=AZ9, first strand: chain 'a' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP a 178 " --> pdb=" O ILE a 341 " (cutoff:3.500A) Processing sheet with id=BA1, first strand: chain 'a' and resid 169 through 170 removed outlier: 7.378A pdb=" N SER a 335 " --> pdb=" O ASN a 342 " (cutoff:3.500A) Processing sheet with id=BA2, first strand: chain 'a' and resid 229 through 230 removed outlier: 6.225A pdb=" N TRP a 229 " --> pdb=" O GLN a 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=BA2 Processing sheet with id=BA3, first strand: chain 'a' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS a 257 " --> pdb=" O HIS a 368 " (cutoff:3.500A) Processing sheet with id=BA4, first strand: chain 'b' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY b 74 " --> pdb=" O LEU b 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU b 287 " --> pdb=" O GLY b 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR b 292 " --> pdb=" O ASN b 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN b 130 " --> pdb=" O THR b 292 " (cutoff:3.500A) removed outlier: 7.112A pdb=" N GLU b 294 " --> pdb=" O LEU b 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU b 128 " --> pdb=" O GLU b 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU b 296 " --> pdb=" O TYR b 126 " (cutoff:3.500A) removed outlier: 4.985A pdb=" N TYR b 126 " --> pdb=" O GLU b 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU b 298 " --> pdb=" O VAL b 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL b 124 " --> pdb=" O GLU b 298 " (cutoff:3.500A) Processing sheet with id=BA5, first strand: chain 'b' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR b 292 " --> pdb=" O ASN b 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN b 130 " --> pdb=" O THR b 292 " (cutoff:3.500A) removed outlier: 7.112A pdb=" N GLU b 294 " --> pdb=" O LEU b 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU b 128 " --> pdb=" O GLU b 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU b 296 " --> pdb=" O TYR b 126 " (cutoff:3.500A) removed outlier: 4.985A pdb=" N TYR b 126 " --> pdb=" O GLU b 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU b 298 " --> pdb=" O VAL b 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL b 124 " --> pdb=" O GLU b 298 " (cutoff:3.500A) Processing sheet with id=BA6, first strand: chain 'b' and resid 169 through 170 removed outlier: 4.326A pdb=" N TRP b 178 " --> pdb=" O ILE b 341 " (cutoff:3.500A) Processing sheet with id=BA7, first strand: chain 'b' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER b 335 " --> pdb=" O ASN b 342 " (cutoff:3.500A) Processing sheet with id=BA8, first strand: chain 'b' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP b 229 " --> pdb=" O GLN b 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=BA8 Processing sheet with id=BA9, first strand: chain 'b' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS b 257 " --> pdb=" O HIS b 368 " (cutoff:3.500A) Processing sheet with id=BB1, first strand: chain 'c' and resid 47 through 48 removed outlier: 3.858A pdb=" N TRP c 47 " --> pdb=" O TYR d 210 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N GLY d 270 " --> pdb=" O ASP d 162 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N HIS d 271 " --> pdb=" O ILE d 83 " (cutoff:3.500A) Processing sheet with id=BB2, first strand: chain 'c' and resid 59 through 75 removed outlier: 4.682A pdb=" N GLY c 74 " --> pdb=" O LEU c 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU c 287 " --> pdb=" O GLY c 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR c 292 " --> pdb=" O ASN c 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN c 130 " --> pdb=" O THR c 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU c 294 " --> pdb=" O LEU c 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU c 128 " --> pdb=" O GLU c 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU c 296 " --> pdb=" O TYR c 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR c 126 " --> pdb=" O GLU c 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU c 298 " --> pdb=" O VAL c 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL c 124 " --> pdb=" O GLU c 298 " (cutoff:3.500A) Processing sheet with id=BB3, first strand: chain 'c' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR c 292 " --> pdb=" O ASN c 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN c 130 " --> pdb=" O THR c 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU c 294 " --> pdb=" O LEU c 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU c 128 " --> pdb=" O GLU c 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU c 296 " --> pdb=" O TYR c 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR c 126 " --> pdb=" O GLU c 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU c 298 " --> pdb=" O VAL c 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL c 124 " --> pdb=" O GLU c 298 " (cutoff:3.500A) Processing sheet with id=BB4, first strand: chain 'c' and resid 189 through 191 removed outlier: 4.669A pdb=" N HIS c 271 " --> pdb=" O ILE c 83 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY c 270 " --> pdb=" O ASP c 162 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N TRP e 47 " --> pdb=" O TYR c 210 " (cutoff:3.500A) Processing sheet with id=BB5, first strand: chain 'c' and resid 169 through 170 removed outlier: 4.326A pdb=" N TRP c 178 " --> pdb=" O ILE c 341 " (cutoff:3.500A) Processing sheet with id=BB6, first strand: chain 'c' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER c 335 " --> pdb=" O ASN c 342 " (cutoff:3.500A) Processing sheet with id=BB7, first strand: chain 'c' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP c 229 " --> pdb=" O GLN c 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=BB7 Processing sheet with id=BB8, first strand: chain 'c' and resid 257 through 262 removed outlier: 3.511A pdb=" N HIS c 257 " --> pdb=" O HIS c 368 " (cutoff:3.500A) Processing sheet with id=BB9, first strand: chain 'd' and resid 47 through 48 removed outlier: 3.824A pdb=" N TRP d 47 " --> pdb=" O TYR e 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY e 270 " --> pdb=" O ASP e 162 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N HIS e 271 " --> pdb=" O ILE e 83 " (cutoff:3.500A) Processing sheet with id=BC1, first strand: chain 'd' and resid 59 through 75 removed outlier: 4.682A pdb=" N GLY d 74 " --> pdb=" O LEU d 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU d 287 " --> pdb=" O GLY d 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR d 292 " --> pdb=" O ASN d 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN d 130 " --> pdb=" O THR d 292 " (cutoff:3.500A) removed outlier: 7.112A pdb=" N GLU d 294 " --> pdb=" O LEU d 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU d 128 " --> pdb=" O GLU d 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU d 296 " --> pdb=" O TYR d 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR d 126 " --> pdb=" O GLU d 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU d 298 " --> pdb=" O VAL d 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL d 124 " --> pdb=" O GLU d 298 " (cutoff:3.500A) Processing sheet with id=BC2, first strand: chain 'd' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR d 292 " --> pdb=" O ASN d 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN d 130 " --> pdb=" O THR d 292 " (cutoff:3.500A) removed outlier: 7.112A pdb=" N GLU d 294 " --> pdb=" O LEU d 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU d 128 " --> pdb=" O GLU d 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU d 296 " --> pdb=" O TYR d 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR d 126 " --> pdb=" O GLU d 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU d 298 " --> pdb=" O VAL d 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL d 124 " --> pdb=" O GLU d 298 " (cutoff:3.500A) Processing sheet with id=BC3, first strand: chain 'd' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP d 178 " --> pdb=" O ILE d 341 " (cutoff:3.500A) Processing sheet with id=BC4, first strand: chain 'd' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER d 335 " --> pdb=" O ASN d 342 " (cutoff:3.500A) Processing sheet with id=BC5, first strand: chain 'd' and resid 229 through 230 removed outlier: 6.225A pdb=" N TRP d 229 " --> pdb=" O GLN d 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=BC5 Processing sheet with id=BC6, first strand: chain 'd' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS d 257 " --> pdb=" O HIS d 368 " (cutoff:3.500A) Processing sheet with id=BC7, first strand: chain 'e' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY e 74 " --> pdb=" O LEU e 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU e 287 " --> pdb=" O GLY e 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR e 292 " --> pdb=" O ASN e 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN e 130 " --> pdb=" O THR e 292 " (cutoff:3.500A) removed outlier: 7.112A pdb=" N GLU e 294 " --> pdb=" O LEU e 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU e 128 " --> pdb=" O GLU e 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU e 296 " --> pdb=" O TYR e 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR e 126 " --> pdb=" O GLU e 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU e 298 " --> pdb=" O VAL e 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL e 124 " --> pdb=" O GLU e 298 " (cutoff:3.500A) Processing sheet with id=BC8, first strand: chain 'e' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR e 292 " --> pdb=" O ASN e 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN e 130 " --> pdb=" O THR e 292 " (cutoff:3.500A) removed outlier: 7.112A pdb=" N GLU e 294 " --> pdb=" O LEU e 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU e 128 " --> pdb=" O GLU e 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU e 296 " --> pdb=" O TYR e 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR e 126 " --> pdb=" O GLU e 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU e 298 " --> pdb=" O VAL e 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL e 124 " --> pdb=" O GLU e 298 " (cutoff:3.500A) Processing sheet with id=BC9, first strand: chain 'e' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP e 178 " --> pdb=" O ILE e 341 " (cutoff:3.500A) Processing sheet with id=BD1, first strand: chain 'e' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER e 335 " --> pdb=" O ASN e 342 " (cutoff:3.500A) Processing sheet with id=BD2, first strand: chain 'e' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP e 229 " --> pdb=" O GLN e 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=BD2 Processing sheet with id=BD3, first strand: chain 'e' and resid 257 through 262 removed outlier: 3.509A pdb=" N HIS e 257 " --> pdb=" O HIS e 368 " (cutoff:3.500A) Processing sheet with id=BD4, first strand: chain 'f' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY f 74 " --> pdb=" O LEU f 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU f 287 " --> pdb=" O GLY f 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR f 292 " --> pdb=" O ASN f 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN f 130 " --> pdb=" O THR f 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU f 294 " --> pdb=" O LEU f 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU f 128 " --> pdb=" O GLU f 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU f 296 " --> pdb=" O TYR f 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR f 126 " --> pdb=" O GLU f 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU f 298 " --> pdb=" O VAL f 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL f 124 " --> pdb=" O GLU f 298 " (cutoff:3.500A) Processing sheet with id=BD5, first strand: chain 'f' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR f 292 " --> pdb=" O ASN f 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN f 130 " --> pdb=" O THR f 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU f 294 " --> pdb=" O LEU f 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU f 128 " --> pdb=" O GLU f 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU f 296 " --> pdb=" O TYR f 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR f 126 " --> pdb=" O GLU f 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU f 298 " --> pdb=" O VAL f 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL f 124 " --> pdb=" O GLU f 298 " (cutoff:3.500A) Processing sheet with id=BD6, first strand: chain 'f' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP f 178 " --> pdb=" O ILE f 341 " (cutoff:3.500A) Processing sheet with id=BD7, first strand: chain 'f' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER f 335 " --> pdb=" O ASN f 342 " (cutoff:3.500A) Processing sheet with id=BD8, first strand: chain 'f' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP f 229 " --> pdb=" O GLN f 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=BD8 Processing sheet with id=BD9, first strand: chain 'f' and resid 257 through 262 removed outlier: 3.509A pdb=" N HIS f 257 " --> pdb=" O HIS f 368 " (cutoff:3.500A) Processing sheet with id=BE1, first strand: chain 'g' and resid 47 through 48 removed outlier: 3.870A pdb=" N TRP g 47 " --> pdb=" O TYR h 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY h 270 " --> pdb=" O ASP h 162 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N HIS h 271 " --> pdb=" O ILE h 83 " (cutoff:3.500A) Processing sheet with id=BE2, first strand: chain 'g' and resid 59 through 75 removed outlier: 4.682A pdb=" N GLY g 74 " --> pdb=" O LEU g 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU g 287 " --> pdb=" O GLY g 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR g 292 " --> pdb=" O ASN g 130 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N ASN g 130 " --> pdb=" O THR g 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU g 294 " --> pdb=" O LEU g 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU g 128 " --> pdb=" O GLU g 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU g 296 " --> pdb=" O TYR g 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR g 126 " --> pdb=" O GLU g 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU g 298 " --> pdb=" O VAL g 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL g 124 " --> pdb=" O GLU g 298 " (cutoff:3.500A) Processing sheet with id=BE3, first strand: chain 'g' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR g 292 " --> pdb=" O ASN g 130 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N ASN g 130 " --> pdb=" O THR g 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU g 294 " --> pdb=" O LEU g 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU g 128 " --> pdb=" O GLU g 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU g 296 " --> pdb=" O TYR g 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR g 126 " --> pdb=" O GLU g 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU g 298 " --> pdb=" O VAL g 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL g 124 " --> pdb=" O GLU g 298 " (cutoff:3.500A) Processing sheet with id=BE4, first strand: chain 'g' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP g 178 " --> pdb=" O ILE g 341 " (cutoff:3.500A) Processing sheet with id=BE5, first strand: chain 'g' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER g 335 " --> pdb=" O ASN g 342 " (cutoff:3.500A) Processing sheet with id=BE6, first strand: chain 'g' and resid 229 through 230 removed outlier: 6.225A pdb=" N TRP g 229 " --> pdb=" O GLN g 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=BE6 Processing sheet with id=BE7, first strand: chain 'g' and resid 257 through 262 removed outlier: 3.511A pdb=" N HIS g 257 " --> pdb=" O HIS g 368 " (cutoff:3.500A) Processing sheet with id=BE8, first strand: chain 'h' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY h 74 " --> pdb=" O LEU h 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU h 287 " --> pdb=" O GLY h 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR h 292 " --> pdb=" O ASN h 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN h 130 " --> pdb=" O THR h 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU h 294 " --> pdb=" O LEU h 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU h 128 " --> pdb=" O GLU h 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU h 296 " --> pdb=" O TYR h 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR h 126 " --> pdb=" O GLU h 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU h 298 " --> pdb=" O VAL h 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL h 124 " --> pdb=" O GLU h 298 " (cutoff:3.500A) Processing sheet with id=BE9, first strand: chain 'h' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR h 292 " --> pdb=" O ASN h 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN h 130 " --> pdb=" O THR h 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU h 294 " --> pdb=" O LEU h 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU h 128 " --> pdb=" O GLU h 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU h 296 " --> pdb=" O TYR h 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR h 126 " --> pdb=" O GLU h 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU h 298 " --> pdb=" O VAL h 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL h 124 " --> pdb=" O GLU h 298 " (cutoff:3.500A) Processing sheet with id=BF1, first strand: chain 'h' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP h 178 " --> pdb=" O ILE h 341 " (cutoff:3.500A) Processing sheet with id=BF2, first strand: chain 'h' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER h 335 " --> pdb=" O ASN h 342 " (cutoff:3.500A) Processing sheet with id=BF3, first strand: chain 'h' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP h 229 " --> pdb=" O GLN h 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=BF3 Processing sheet with id=BF4, first strand: chain 'h' and resid 257 through 262 removed outlier: 3.511A pdb=" N HIS h 257 " --> pdb=" O HIS h 368 " (cutoff:3.500A) Processing sheet with id=BF5, first strand: chain 'i' and resid 47 through 48 removed outlier: 3.866A pdb=" N TRP i 47 " --> pdb=" O TYR j 210 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N GLY j 270 " --> pdb=" O ASP j 162 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N HIS j 271 " --> pdb=" O ILE j 83 " (cutoff:3.500A) Processing sheet with id=BF6, first strand: chain 'i' and resid 59 through 75 removed outlier: 4.682A pdb=" N GLY i 74 " --> pdb=" O LEU i 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU i 287 " --> pdb=" O GLY i 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR i 292 " --> pdb=" O ASN i 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN i 130 " --> pdb=" O THR i 292 " (cutoff:3.500A) removed outlier: 7.112A pdb=" N GLU i 294 " --> pdb=" O LEU i 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU i 128 " --> pdb=" O GLU i 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU i 296 " --> pdb=" O TYR i 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR i 126 " --> pdb=" O GLU i 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU i 298 " --> pdb=" O VAL i 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL i 124 " --> pdb=" O GLU i 298 " (cutoff:3.500A) Processing sheet with id=BF7, first strand: chain 'i' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR i 292 " --> pdb=" O ASN i 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN i 130 " --> pdb=" O THR i 292 " (cutoff:3.500A) removed outlier: 7.112A pdb=" N GLU i 294 " --> pdb=" O LEU i 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU i 128 " --> pdb=" O GLU i 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU i 296 " --> pdb=" O TYR i 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR i 126 " --> pdb=" O GLU i 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU i 298 " --> pdb=" O VAL i 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL i 124 " --> pdb=" O GLU i 298 " (cutoff:3.500A) Processing sheet with id=BF8, first strand: chain 'i' and resid 169 through 170 removed outlier: 4.326A pdb=" N TRP i 178 " --> pdb=" O ILE i 341 " (cutoff:3.500A) Processing sheet with id=BF9, first strand: chain 'i' and resid 169 through 170 removed outlier: 7.378A pdb=" N SER i 335 " --> pdb=" O ASN i 342 " (cutoff:3.500A) Processing sheet with id=BG1, first strand: chain 'i' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP i 229 " --> pdb=" O GLN i 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=BG1 Processing sheet with id=BG2, first strand: chain 'i' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS i 257 " --> pdb=" O HIS i 368 " (cutoff:3.500A) Processing sheet with id=BG3, first strand: chain 'j' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY j 74 " --> pdb=" O LEU j 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU j 287 " --> pdb=" O GLY j 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR j 292 " --> pdb=" O ASN j 130 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N ASN j 130 " --> pdb=" O THR j 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU j 294 " --> pdb=" O LEU j 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU j 128 " --> pdb=" O GLU j 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU j 296 " --> pdb=" O TYR j 126 " (cutoff:3.500A) removed outlier: 4.985A pdb=" N TYR j 126 " --> pdb=" O GLU j 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU j 298 " --> pdb=" O VAL j 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL j 124 " --> pdb=" O GLU j 298 " (cutoff:3.500A) Processing sheet with id=BG4, first strand: chain 'j' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR j 292 " --> pdb=" O ASN j 130 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N ASN j 130 " --> pdb=" O THR j 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU j 294 " --> pdb=" O LEU j 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU j 128 " --> pdb=" O GLU j 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU j 296 " --> pdb=" O TYR j 126 " (cutoff:3.500A) removed outlier: 4.985A pdb=" N TYR j 126 " --> pdb=" O GLU j 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU j 298 " --> pdb=" O VAL j 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL j 124 " --> pdb=" O GLU j 298 " (cutoff:3.500A) Processing sheet with id=BG5, first strand: chain 'j' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP j 178 " --> pdb=" O ILE j 341 " (cutoff:3.500A) Processing sheet with id=BG6, first strand: chain 'j' and resid 169 through 170 removed outlier: 7.378A pdb=" N SER j 335 " --> pdb=" O ASN j 342 " (cutoff:3.500A) Processing sheet with id=BG7, first strand: chain 'j' and resid 229 through 230 removed outlier: 6.225A pdb=" N TRP j 229 " --> pdb=" O GLN j 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=BG7 Processing sheet with id=BG8, first strand: chain 'j' and resid 257 through 262 removed outlier: 3.511A pdb=" N HIS j 257 " --> pdb=" O HIS j 368 " (cutoff:3.500A) Processing sheet with id=BG9, first strand: chain 'k' and resid 47 through 48 removed outlier: 3.857A pdb=" N TRP k 47 " --> pdb=" O TYR l 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY l 270 " --> pdb=" O ASP l 162 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N HIS l 271 " --> pdb=" O ILE l 83 " (cutoff:3.500A) Processing sheet with id=BH1, first strand: chain 'k' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY k 74 " --> pdb=" O LEU k 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU k 287 " --> pdb=" O GLY k 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR k 292 " --> pdb=" O ASN k 130 " (cutoff:3.500A) removed outlier: 5.578A pdb=" N ASN k 130 " --> pdb=" O THR k 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU k 294 " --> pdb=" O LEU k 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU k 128 " --> pdb=" O GLU k 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU k 296 " --> pdb=" O TYR k 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR k 126 " --> pdb=" O GLU k 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU k 298 " --> pdb=" O VAL k 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL k 124 " --> pdb=" O GLU k 298 " (cutoff:3.500A) Processing sheet with id=BH2, first strand: chain 'k' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR k 292 " --> pdb=" O ASN k 130 " (cutoff:3.500A) removed outlier: 5.578A pdb=" N ASN k 130 " --> pdb=" O THR k 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU k 294 " --> pdb=" O LEU k 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU k 128 " --> pdb=" O GLU k 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU k 296 " --> pdb=" O TYR k 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR k 126 " --> pdb=" O GLU k 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU k 298 " --> pdb=" O VAL k 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL k 124 " --> pdb=" O GLU k 298 " (cutoff:3.500A) Processing sheet with id=BH3, first strand: chain 'k' and resid 189 through 191 removed outlier: 4.668A pdb=" N HIS k 271 " --> pdb=" O ILE k 83 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY k 270 " --> pdb=" O ASP k 162 " (cutoff:3.500A) removed outlier: 3.865A pdb=" N TRP m 47 " --> pdb=" O TYR k 210 " (cutoff:3.500A) Processing sheet with id=BH4, first strand: chain 'k' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP k 178 " --> pdb=" O ILE k 341 " (cutoff:3.500A) Processing sheet with id=BH5, first strand: chain 'k' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER k 335 " --> pdb=" O ASN k 342 " (cutoff:3.500A) Processing sheet with id=BH6, first strand: chain 'k' and resid 229 through 230 removed outlier: 6.225A pdb=" N TRP k 229 " --> pdb=" O GLN k 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=BH6 Processing sheet with id=BH7, first strand: chain 'k' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS k 257 " --> pdb=" O HIS k 368 " (cutoff:3.500A) Processing sheet with id=BH8, first strand: chain 'l' and resid 47 through 48 removed outlier: 3.865A pdb=" N TRP l 47 " --> pdb=" O TYR m 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY m 270 " --> pdb=" O ASP m 162 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N HIS m 271 " --> pdb=" O ILE m 83 " (cutoff:3.500A) Processing sheet with id=BH9, first strand: chain 'l' and resid 59 through 75 removed outlier: 4.682A pdb=" N GLY l 74 " --> pdb=" O LEU l 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU l 287 " --> pdb=" O GLY l 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR l 292 " --> pdb=" O ASN l 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN l 130 " --> pdb=" O THR l 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU l 294 " --> pdb=" O LEU l 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU l 128 " --> pdb=" O GLU l 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU l 296 " --> pdb=" O TYR l 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR l 126 " --> pdb=" O GLU l 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU l 298 " --> pdb=" O VAL l 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL l 124 " --> pdb=" O GLU l 298 " (cutoff:3.500A) Processing sheet with id=BI1, first strand: chain 'l' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR l 292 " --> pdb=" O ASN l 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN l 130 " --> pdb=" O THR l 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU l 294 " --> pdb=" O LEU l 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU l 128 " --> pdb=" O GLU l 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU l 296 " --> pdb=" O TYR l 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR l 126 " --> pdb=" O GLU l 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU l 298 " --> pdb=" O VAL l 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL l 124 " --> pdb=" O GLU l 298 " (cutoff:3.500A) Processing sheet with id=BI2, first strand: chain 'l' and resid 169 through 170 removed outlier: 4.326A pdb=" N TRP l 178 " --> pdb=" O ILE l 341 " (cutoff:3.500A) Processing sheet with id=BI3, first strand: chain 'l' and resid 169 through 170 removed outlier: 7.376A pdb=" N SER l 335 " --> pdb=" O ASN l 342 " (cutoff:3.500A) Processing sheet with id=BI4, first strand: chain 'l' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP l 229 " --> pdb=" O GLN l 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=BI4 Processing sheet with id=BI5, first strand: chain 'l' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS l 257 " --> pdb=" O HIS l 368 " (cutoff:3.500A) Processing sheet with id=BI6, first strand: chain 'm' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY m 74 " --> pdb=" O LEU m 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU m 287 " --> pdb=" O GLY m 74 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N THR m 292 " --> pdb=" O ASN m 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN m 130 " --> pdb=" O THR m 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU m 294 " --> pdb=" O LEU m 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU m 128 " --> pdb=" O GLU m 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU m 296 " --> pdb=" O TYR m 126 " (cutoff:3.500A) removed outlier: 4.983A pdb=" N TYR m 126 " --> pdb=" O GLU m 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU m 298 " --> pdb=" O VAL m 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL m 124 " --> pdb=" O GLU m 298 " (cutoff:3.500A) Processing sheet with id=BI7, first strand: chain 'm' and resid 118 through 120 removed outlier: 4.368A pdb=" N THR m 292 " --> pdb=" O ASN m 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN m 130 " --> pdb=" O THR m 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU m 294 " --> pdb=" O LEU m 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU m 128 " --> pdb=" O GLU m 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU m 296 " --> pdb=" O TYR m 126 " (cutoff:3.500A) removed outlier: 4.983A pdb=" N TYR m 126 " --> pdb=" O GLU m 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU m 298 " --> pdb=" O VAL m 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL m 124 " --> pdb=" O GLU m 298 " (cutoff:3.500A) Processing sheet with id=BI8, first strand: chain 'm' and resid 169 through 170 removed outlier: 4.326A pdb=" N TRP m 178 " --> pdb=" O ILE m 341 " (cutoff:3.500A) Processing sheet with id=BI9, first strand: chain 'm' and resid 169 through 170 removed outlier: 7.378A pdb=" N SER m 335 " --> pdb=" O ASN m 342 " (cutoff:3.500A) Processing sheet with id=BJ1, first strand: chain 'm' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP m 229 " --> pdb=" O GLN m 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=BJ1 Processing sheet with id=BJ2, first strand: chain 'm' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS m 257 " --> pdb=" O HIS m 368 " (cutoff:3.500A) Processing sheet with id=BJ3, first strand: chain 'n' and resid 47 through 48 removed outlier: 3.866A pdb=" N TRP n 47 " --> pdb=" O TYR o 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY o 270 " --> pdb=" O ASP o 162 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N HIS o 271 " --> pdb=" O ILE o 83 " (cutoff:3.500A) Processing sheet with id=BJ4, first strand: chain 'n' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY n 74 " --> pdb=" O LEU n 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU n 287 " --> pdb=" O GLY n 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR n 292 " --> pdb=" O ASN n 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN n 130 " --> pdb=" O THR n 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU n 294 " --> pdb=" O LEU n 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU n 128 " --> pdb=" O GLU n 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU n 296 " --> pdb=" O TYR n 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR n 126 " --> pdb=" O GLU n 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU n 298 " --> pdb=" O VAL n 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL n 124 " --> pdb=" O GLU n 298 " (cutoff:3.500A) Processing sheet with id=BJ5, first strand: chain 'n' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR n 292 " --> pdb=" O ASN n 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN n 130 " --> pdb=" O THR n 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU n 294 " --> pdb=" O LEU n 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU n 128 " --> pdb=" O GLU n 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU n 296 " --> pdb=" O TYR n 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR n 126 " --> pdb=" O GLU n 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU n 298 " --> pdb=" O VAL n 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL n 124 " --> pdb=" O GLU n 298 " (cutoff:3.500A) Processing sheet with id=BJ6, first strand: chain 'n' and resid 189 through 191 removed outlier: 4.669A pdb=" N HIS n 271 " --> pdb=" O ILE n 83 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N GLY n 270 " --> pdb=" O ASP n 162 " (cutoff:3.500A) removed outlier: 3.865A pdb=" N TRP p 47 " --> pdb=" O TYR n 210 " (cutoff:3.500A) Processing sheet with id=BJ7, first strand: chain 'n' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP n 178 " --> pdb=" O ILE n 341 " (cutoff:3.500A) Processing sheet with id=BJ8, first strand: chain 'n' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER n 335 " --> pdb=" O ASN n 342 " (cutoff:3.500A) Processing sheet with id=BJ9, first strand: chain 'n' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP n 229 " --> pdb=" O GLN n 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=BJ9 Processing sheet with id=BK1, first strand: chain 'n' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS n 257 " --> pdb=" O HIS n 368 " (cutoff:3.500A) Processing sheet with id=BK2, first strand: chain 'o' and resid 47 through 48 removed outlier: 3.865A pdb=" N TRP o 47 " --> pdb=" O TYR p 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY p 270 " --> pdb=" O ASP p 162 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N HIS p 271 " --> pdb=" O ILE p 83 " (cutoff:3.500A) Processing sheet with id=BK3, first strand: chain 'o' and resid 59 through 75 removed outlier: 4.682A pdb=" N GLY o 74 " --> pdb=" O LEU o 287 " (cutoff:3.500A) removed outlier: 7.509A pdb=" N LEU o 287 " --> pdb=" O GLY o 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR o 292 " --> pdb=" O ASN o 130 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N ASN o 130 " --> pdb=" O THR o 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU o 294 " --> pdb=" O LEU o 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU o 128 " --> pdb=" O GLU o 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU o 296 " --> pdb=" O TYR o 126 " (cutoff:3.500A) removed outlier: 4.985A pdb=" N TYR o 126 " --> pdb=" O GLU o 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU o 298 " --> pdb=" O VAL o 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL o 124 " --> pdb=" O GLU o 298 " (cutoff:3.500A) Processing sheet with id=BK4, first strand: chain 'o' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR o 292 " --> pdb=" O ASN o 130 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N ASN o 130 " --> pdb=" O THR o 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU o 294 " --> pdb=" O LEU o 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU o 128 " --> pdb=" O GLU o 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU o 296 " --> pdb=" O TYR o 126 " (cutoff:3.500A) removed outlier: 4.985A pdb=" N TYR o 126 " --> pdb=" O GLU o 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU o 298 " --> pdb=" O VAL o 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL o 124 " --> pdb=" O GLU o 298 " (cutoff:3.500A) Processing sheet with id=BK5, first strand: chain 'o' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP o 178 " --> pdb=" O ILE o 341 " (cutoff:3.500A) Processing sheet with id=BK6, first strand: chain 'o' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER o 335 " --> pdb=" O ASN o 342 " (cutoff:3.500A) Processing sheet with id=BK7, first strand: chain 'o' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP o 229 " --> pdb=" O GLN o 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=BK7 Processing sheet with id=BK8, first strand: chain 'o' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS o 257 " --> pdb=" O HIS o 368 " (cutoff:3.500A) Processing sheet with id=BK9, first strand: chain 'p' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY p 74 " --> pdb=" O LEU p 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU p 287 " --> pdb=" O GLY p 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR p 292 " --> pdb=" O ASN p 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN p 130 " --> pdb=" O THR p 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU p 294 " --> pdb=" O LEU p 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU p 128 " --> pdb=" O GLU p 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU p 296 " --> pdb=" O TYR p 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR p 126 " --> pdb=" O GLU p 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU p 298 " --> pdb=" O VAL p 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL p 124 " --> pdb=" O GLU p 298 " (cutoff:3.500A) Processing sheet with id=BL1, first strand: chain 'p' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR p 292 " --> pdb=" O ASN p 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN p 130 " --> pdb=" O THR p 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU p 294 " --> pdb=" O LEU p 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU p 128 " --> pdb=" O GLU p 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU p 296 " --> pdb=" O TYR p 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR p 126 " --> pdb=" O GLU p 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU p 298 " --> pdb=" O VAL p 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL p 124 " --> pdb=" O GLU p 298 " (cutoff:3.500A) Processing sheet with id=BL2, first strand: chain 'p' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP p 178 " --> pdb=" O ILE p 341 " (cutoff:3.500A) Processing sheet with id=BL3, first strand: chain 'p' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER p 335 " --> pdb=" O ASN p 342 " (cutoff:3.500A) Processing sheet with id=BL4, first strand: chain 'p' and resid 229 through 230 removed outlier: 6.225A pdb=" N TRP p 229 " --> pdb=" O GLN p 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=BL4 Processing sheet with id=BL5, first strand: chain 'p' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS p 257 " --> pdb=" O HIS p 368 " (cutoff:3.500A) Processing sheet with id=BL6, first strand: chain 'q' and resid 47 through 48 removed outlier: 3.863A pdb=" N TRP q 47 " --> pdb=" O TYR r 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY r 270 " --> pdb=" O ASP r 162 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N HIS r 271 " --> pdb=" O ILE r 83 " (cutoff:3.500A) Processing sheet with id=BL7, first strand: chain 'q' and resid 59 through 75 removed outlier: 4.682A pdb=" N GLY q 74 " --> pdb=" O LEU q 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU q 287 " --> pdb=" O GLY q 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR q 292 " --> pdb=" O ASN q 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN q 130 " --> pdb=" O THR q 292 " (cutoff:3.500A) removed outlier: 7.112A pdb=" N GLU q 294 " --> pdb=" O LEU q 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU q 128 " --> pdb=" O GLU q 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU q 296 " --> pdb=" O TYR q 126 " (cutoff:3.500A) removed outlier: 4.983A pdb=" N TYR q 126 " --> pdb=" O GLU q 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU q 298 " --> pdb=" O VAL q 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL q 124 " --> pdb=" O GLU q 298 " (cutoff:3.500A) Processing sheet with id=BL8, first strand: chain 'q' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR q 292 " --> pdb=" O ASN q 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN q 130 " --> pdb=" O THR q 292 " (cutoff:3.500A) removed outlier: 7.112A pdb=" N GLU q 294 " --> pdb=" O LEU q 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU q 128 " --> pdb=" O GLU q 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU q 296 " --> pdb=" O TYR q 126 " (cutoff:3.500A) removed outlier: 4.983A pdb=" N TYR q 126 " --> pdb=" O GLU q 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU q 298 " --> pdb=" O VAL q 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL q 124 " --> pdb=" O GLU q 298 " (cutoff:3.500A) Processing sheet with id=BL9, first strand: chain 'q' and resid 189 through 191 removed outlier: 4.669A pdb=" N HIS q 271 " --> pdb=" O ILE q 83 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N GLY q 270 " --> pdb=" O ASP q 162 " (cutoff:3.500A) removed outlier: 3.861A pdb=" N TRP s 47 " --> pdb=" O TYR q 210 " (cutoff:3.500A) Processing sheet with id=BM1, first strand: chain 'q' and resid 169 through 170 removed outlier: 4.326A pdb=" N TRP q 178 " --> pdb=" O ILE q 341 " (cutoff:3.500A) Processing sheet with id=BM2, first strand: chain 'q' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER q 335 " --> pdb=" O ASN q 342 " (cutoff:3.500A) Processing sheet with id=BM3, first strand: chain 'q' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP q 229 " --> pdb=" O GLN q 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=BM3 Processing sheet with id=BM4, first strand: chain 'q' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS q 257 " --> pdb=" O HIS q 368 " (cutoff:3.500A) Processing sheet with id=BM5, first strand: chain 'r' and resid 47 through 48 removed outlier: 3.864A pdb=" N TRP r 47 " --> pdb=" O TYR s 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY s 270 " --> pdb=" O ASP s 162 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N HIS s 271 " --> pdb=" O ILE s 83 " (cutoff:3.500A) Processing sheet with id=BM6, first strand: chain 'r' and resid 59 through 75 removed outlier: 4.682A pdb=" N GLY r 74 " --> pdb=" O LEU r 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU r 287 " --> pdb=" O GLY r 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR r 292 " --> pdb=" O ASN r 130 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N ASN r 130 " --> pdb=" O THR r 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU r 294 " --> pdb=" O LEU r 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU r 128 " --> pdb=" O GLU r 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU r 296 " --> pdb=" O TYR r 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR r 126 " --> pdb=" O GLU r 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU r 298 " --> pdb=" O VAL r 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL r 124 " --> pdb=" O GLU r 298 " (cutoff:3.500A) Processing sheet with id=BM7, first strand: chain 'r' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR r 292 " --> pdb=" O ASN r 130 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N ASN r 130 " --> pdb=" O THR r 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU r 294 " --> pdb=" O LEU r 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU r 128 " --> pdb=" O GLU r 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU r 296 " --> pdb=" O TYR r 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR r 126 " --> pdb=" O GLU r 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU r 298 " --> pdb=" O VAL r 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL r 124 " --> pdb=" O GLU r 298 " (cutoff:3.500A) Processing sheet with id=BM8, first strand: chain 'r' and resid 169 through 170 removed outlier: 4.326A pdb=" N TRP r 178 " --> pdb=" O ILE r 341 " (cutoff:3.500A) Processing sheet with id=BM9, first strand: chain 'r' and resid 169 through 170 removed outlier: 7.378A pdb=" N SER r 335 " --> pdb=" O ASN r 342 " (cutoff:3.500A) Processing sheet with id=BN1, first strand: chain 'r' and resid 229 through 230 removed outlier: 6.225A pdb=" N TRP r 229 " --> pdb=" O GLN r 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=BN1 Processing sheet with id=BN2, first strand: chain 'r' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS r 257 " --> pdb=" O HIS r 368 " (cutoff:3.500A) Processing sheet with id=BN3, first strand: chain 's' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY s 74 " --> pdb=" O LEU s 287 " (cutoff:3.500A) removed outlier: 7.509A pdb=" N LEU s 287 " --> pdb=" O GLY s 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR s 292 " --> pdb=" O ASN s 130 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N ASN s 130 " --> pdb=" O THR s 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU s 294 " --> pdb=" O LEU s 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU s 128 " --> pdb=" O GLU s 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU s 296 " --> pdb=" O TYR s 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR s 126 " --> pdb=" O GLU s 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU s 298 " --> pdb=" O VAL s 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL s 124 " --> pdb=" O GLU s 298 " (cutoff:3.500A) Processing sheet with id=BN4, first strand: chain 's' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR s 292 " --> pdb=" O ASN s 130 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N ASN s 130 " --> pdb=" O THR s 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU s 294 " --> pdb=" O LEU s 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU s 128 " --> pdb=" O GLU s 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU s 296 " --> pdb=" O TYR s 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR s 126 " --> pdb=" O GLU s 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU s 298 " --> pdb=" O VAL s 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL s 124 " --> pdb=" O GLU s 298 " (cutoff:3.500A) Processing sheet with id=BN5, first strand: chain 's' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP s 178 " --> pdb=" O ILE s 341 " (cutoff:3.500A) Processing sheet with id=BN6, first strand: chain 's' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER s 335 " --> pdb=" O ASN s 342 " (cutoff:3.500A) Processing sheet with id=BN7, first strand: chain 's' and resid 229 through 230 removed outlier: 6.225A pdb=" N TRP s 229 " --> pdb=" O GLN s 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=BN7 Processing sheet with id=BN8, first strand: chain 's' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS s 257 " --> pdb=" O HIS s 368 " (cutoff:3.500A) Processing sheet with id=BN9, first strand: chain 't' and resid 47 through 48 removed outlier: 3.865A pdb=" N TRP t 47 " --> pdb=" O TYR u 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY u 270 " --> pdb=" O ASP u 162 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N HIS u 271 " --> pdb=" O ILE u 83 " (cutoff:3.500A) Processing sheet with id=BO1, first strand: chain 't' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY t 74 " --> pdb=" O LEU t 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU t 287 " --> pdb=" O GLY t 74 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N THR t 292 " --> pdb=" O ASN t 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN t 130 " --> pdb=" O THR t 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU t 294 " --> pdb=" O LEU t 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU t 128 " --> pdb=" O GLU t 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU t 296 " --> pdb=" O TYR t 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR t 126 " --> pdb=" O GLU t 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU t 298 " --> pdb=" O VAL t 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL t 124 " --> pdb=" O GLU t 298 " (cutoff:3.500A) Processing sheet with id=BO2, first strand: chain 't' and resid 118 through 120 removed outlier: 4.368A pdb=" N THR t 292 " --> pdb=" O ASN t 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN t 130 " --> pdb=" O THR t 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU t 294 " --> pdb=" O LEU t 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU t 128 " --> pdb=" O GLU t 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU t 296 " --> pdb=" O TYR t 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR t 126 " --> pdb=" O GLU t 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU t 298 " --> pdb=" O VAL t 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL t 124 " --> pdb=" O GLU t 298 " (cutoff:3.500A) Processing sheet with id=BO3, first strand: chain 't' and resid 189 through 191 removed outlier: 4.668A pdb=" N HIS t 271 " --> pdb=" O ILE t 83 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N GLY t 270 " --> pdb=" O ASP t 162 " (cutoff:3.500A) removed outlier: 3.865A pdb=" N TRP v 47 " --> pdb=" O TYR t 210 " (cutoff:3.500A) Processing sheet with id=BO4, first strand: chain 't' and resid 169 through 170 removed outlier: 4.326A pdb=" N TRP t 178 " --> pdb=" O ILE t 341 " (cutoff:3.500A) Processing sheet with id=BO5, first strand: chain 't' and resid 169 through 170 removed outlier: 7.378A pdb=" N SER t 335 " --> pdb=" O ASN t 342 " (cutoff:3.500A) Processing sheet with id=BO6, first strand: chain 't' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP t 229 " --> pdb=" O GLN t 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=BO6 Processing sheet with id=BO7, first strand: chain 't' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS t 257 " --> pdb=" O HIS t 368 " (cutoff:3.500A) Processing sheet with id=BO8, first strand: chain 'u' and resid 47 through 48 removed outlier: 3.858A pdb=" N TRP u 47 " --> pdb=" O TYR v 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY v 270 " --> pdb=" O ASP v 162 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N HIS v 271 " --> pdb=" O ILE v 83 " (cutoff:3.500A) Processing sheet with id=BO9, first strand: chain 'u' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY u 74 " --> pdb=" O LEU u 287 " (cutoff:3.500A) removed outlier: 7.511A pdb=" N LEU u 287 " --> pdb=" O GLY u 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR u 292 " --> pdb=" O ASN u 130 " (cutoff:3.500A) removed outlier: 5.578A pdb=" N ASN u 130 " --> pdb=" O THR u 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU u 294 " --> pdb=" O LEU u 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU u 128 " --> pdb=" O GLU u 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU u 296 " --> pdb=" O TYR u 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR u 126 " --> pdb=" O GLU u 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU u 298 " --> pdb=" O VAL u 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL u 124 " --> pdb=" O GLU u 298 " (cutoff:3.500A) Processing sheet with id=BP1, first strand: chain 'u' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR u 292 " --> pdb=" O ASN u 130 " (cutoff:3.500A) removed outlier: 5.578A pdb=" N ASN u 130 " --> pdb=" O THR u 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU u 294 " --> pdb=" O LEU u 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU u 128 " --> pdb=" O GLU u 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU u 296 " --> pdb=" O TYR u 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR u 126 " --> pdb=" O GLU u 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU u 298 " --> pdb=" O VAL u 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL u 124 " --> pdb=" O GLU u 298 " (cutoff:3.500A) Processing sheet with id=BP2, first strand: chain 'u' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP u 178 " --> pdb=" O ILE u 341 " (cutoff:3.500A) Processing sheet with id=BP3, first strand: chain 'u' and resid 169 through 170 removed outlier: 7.378A pdb=" N SER u 335 " --> pdb=" O ASN u 342 " (cutoff:3.500A) Processing sheet with id=BP4, first strand: chain 'u' and resid 229 through 230 removed outlier: 6.225A pdb=" N TRP u 229 " --> pdb=" O GLN u 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=BP4 Processing sheet with id=BP5, first strand: chain 'u' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS u 257 " --> pdb=" O HIS u 368 " (cutoff:3.500A) Processing sheet with id=BP6, first strand: chain 'v' and resid 59 through 75 removed outlier: 4.682A pdb=" N GLY v 74 " --> pdb=" O LEU v 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU v 287 " --> pdb=" O GLY v 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR v 292 " --> pdb=" O ASN v 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN v 130 " --> pdb=" O THR v 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU v 294 " --> pdb=" O LEU v 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU v 128 " --> pdb=" O GLU v 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU v 296 " --> pdb=" O TYR v 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR v 126 " --> pdb=" O GLU v 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU v 298 " --> pdb=" O VAL v 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL v 124 " --> pdb=" O GLU v 298 " (cutoff:3.500A) Processing sheet with id=BP7, first strand: chain 'v' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR v 292 " --> pdb=" O ASN v 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN v 130 " --> pdb=" O THR v 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU v 294 " --> pdb=" O LEU v 128 " (cutoff:3.500A) removed outlier: 5.333A pdb=" N LEU v 128 " --> pdb=" O GLU v 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU v 296 " --> pdb=" O TYR v 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR v 126 " --> pdb=" O GLU v 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU v 298 " --> pdb=" O VAL v 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL v 124 " --> pdb=" O GLU v 298 " (cutoff:3.500A) Processing sheet with id=BP8, first strand: chain 'v' and resid 169 through 170 removed outlier: 4.326A pdb=" N TRP v 178 " --> pdb=" O ILE v 341 " (cutoff:3.500A) Processing sheet with id=BP9, first strand: chain 'v' and resid 169 through 170 removed outlier: 7.376A pdb=" N SER v 335 " --> pdb=" O ASN v 342 " (cutoff:3.500A) Processing sheet with id=BQ1, first strand: chain 'v' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP v 229 " --> pdb=" O GLN v 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=BQ1 Processing sheet with id=BQ2, first strand: chain 'v' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS v 257 " --> pdb=" O HIS v 368 " (cutoff:3.500A) Processing sheet with id=BQ3, first strand: chain 'w' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY w 74 " --> pdb=" O LEU w 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU w 287 " --> pdb=" O GLY w 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR w 292 " --> pdb=" O ASN w 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN w 130 " --> pdb=" O THR w 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU w 294 " --> pdb=" O LEU w 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU w 128 " --> pdb=" O GLU w 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU w 296 " --> pdb=" O TYR w 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR w 126 " --> pdb=" O GLU w 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU w 298 " --> pdb=" O VAL w 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL w 124 " --> pdb=" O GLU w 298 " (cutoff:3.500A) Processing sheet with id=BQ4, first strand: chain 'w' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR w 292 " --> pdb=" O ASN w 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN w 130 " --> pdb=" O THR w 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU w 294 " --> pdb=" O LEU w 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU w 128 " --> pdb=" O GLU w 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU w 296 " --> pdb=" O TYR w 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR w 126 " --> pdb=" O GLU w 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU w 298 " --> pdb=" O VAL w 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL w 124 " --> pdb=" O GLU w 298 " (cutoff:3.500A) Processing sheet with id=BQ5, first strand: chain 'w' and resid 189 through 191 removed outlier: 4.669A pdb=" N HIS w 271 " --> pdb=" O ILE w 83 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY w 270 " --> pdb=" O ASP w 162 " (cutoff:3.500A) removed outlier: 3.867A pdb=" N TRP x 47 " --> pdb=" O TYR w 210 " (cutoff:3.500A) Processing sheet with id=BQ6, first strand: chain 'w' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP w 178 " --> pdb=" O ILE w 341 " (cutoff:3.500A) Processing sheet with id=BQ7, first strand: chain 'w' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER w 335 " --> pdb=" O ASN w 342 " (cutoff:3.500A) Processing sheet with id=BQ8, first strand: chain 'w' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP w 229 " --> pdb=" O GLN w 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=BQ8 Processing sheet with id=BQ9, first strand: chain 'w' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS w 257 " --> pdb=" O HIS w 368 " (cutoff:3.500A) Processing sheet with id=BR1, first strand: chain 'x' and resid 59 through 75 removed outlier: 4.682A pdb=" N GLY x 74 " --> pdb=" O LEU x 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU x 287 " --> pdb=" O GLY x 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR x 292 " --> pdb=" O ASN x 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN x 130 " --> pdb=" O THR x 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU x 294 " --> pdb=" O LEU x 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU x 128 " --> pdb=" O GLU x 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU x 296 " --> pdb=" O TYR x 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR x 126 " --> pdb=" O GLU x 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU x 298 " --> pdb=" O VAL x 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL x 124 " --> pdb=" O GLU x 298 " (cutoff:3.500A) Processing sheet with id=BR2, first strand: chain 'x' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR x 292 " --> pdb=" O ASN x 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN x 130 " --> pdb=" O THR x 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU x 294 " --> pdb=" O LEU x 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU x 128 " --> pdb=" O GLU x 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU x 296 " --> pdb=" O TYR x 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR x 126 " --> pdb=" O GLU x 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU x 298 " --> pdb=" O VAL x 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL x 124 " --> pdb=" O GLU x 298 " (cutoff:3.500A) Processing sheet with id=BR3, first strand: chain 'x' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP x 178 " --> pdb=" O ILE x 341 " (cutoff:3.500A) Processing sheet with id=BR4, first strand: chain 'x' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER x 335 " --> pdb=" O ASN x 342 " (cutoff:3.500A) Processing sheet with id=BR5, first strand: chain 'x' and resid 229 through 230 removed outlier: 6.225A pdb=" N TRP x 229 " --> pdb=" O GLN x 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=BR5 Processing sheet with id=BR6, first strand: chain 'x' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS x 257 " --> pdb=" O HIS x 368 " (cutoff:3.500A) Processing sheet with id=BR7, first strand: chain 'y' and resid 47 through 48 removed outlier: 3.866A pdb=" N TRP y 47 " --> pdb=" O TYR z 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY z 270 " --> pdb=" O ASP z 162 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N HIS z 271 " --> pdb=" O ILE z 83 " (cutoff:3.500A) Processing sheet with id=BR8, first strand: chain 'y' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY y 74 " --> pdb=" O LEU y 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU y 287 " --> pdb=" O GLY y 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR y 292 " --> pdb=" O ASN y 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN y 130 " --> pdb=" O THR y 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU y 294 " --> pdb=" O LEU y 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU y 128 " --> pdb=" O GLU y 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU y 296 " --> pdb=" O TYR y 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR y 126 " --> pdb=" O GLU y 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU y 298 " --> pdb=" O VAL y 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL y 124 " --> pdb=" O GLU y 298 " (cutoff:3.500A) Processing sheet with id=BR9, first strand: chain 'y' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR y 292 " --> pdb=" O ASN y 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN y 130 " --> pdb=" O THR y 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU y 294 " --> pdb=" O LEU y 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU y 128 " --> pdb=" O GLU y 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU y 296 " --> pdb=" O TYR y 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR y 126 " --> pdb=" O GLU y 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU y 298 " --> pdb=" O VAL y 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL y 124 " --> pdb=" O GLU y 298 " (cutoff:3.500A) Processing sheet with id=BS1, first strand: chain 'y' and resid 189 through 191 removed outlier: 4.668A pdb=" N HIS y 271 " --> pdb=" O ILE y 83 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N GLY y 270 " --> pdb=" O ASP y 162 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N TRP 7 47 " --> pdb=" O TYR y 210 " (cutoff:3.500A) Processing sheet with id=BS2, first strand: chain 'y' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP y 178 " --> pdb=" O ILE y 341 " (cutoff:3.500A) Processing sheet with id=BS3, first strand: chain 'y' and resid 169 through 170 removed outlier: 7.378A pdb=" N SER y 335 " --> pdb=" O ASN y 342 " (cutoff:3.500A) Processing sheet with id=BS4, first strand: chain 'y' and resid 229 through 230 removed outlier: 6.225A pdb=" N TRP y 229 " --> pdb=" O GLN y 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=BS4 Processing sheet with id=BS5, first strand: chain 'y' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS y 257 " --> pdb=" O HIS y 368 " (cutoff:3.500A) Processing sheet with id=BS6, first strand: chain 'z' and resid 47 through 48 removed outlier: 3.861A pdb=" N TRP z 47 " --> pdb=" O TYR 7 210 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLY 7 270 " --> pdb=" O ASP 7 162 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N HIS 7 271 " --> pdb=" O ILE 7 83 " (cutoff:3.500A) Processing sheet with id=BS7, first strand: chain 'z' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY z 74 " --> pdb=" O LEU z 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU z 287 " --> pdb=" O GLY z 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR z 292 " --> pdb=" O ASN z 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN z 130 " --> pdb=" O THR z 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU z 294 " --> pdb=" O LEU z 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU z 128 " --> pdb=" O GLU z 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU z 296 " --> pdb=" O TYR z 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR z 126 " --> pdb=" O GLU z 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU z 298 " --> pdb=" O VAL z 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL z 124 " --> pdb=" O GLU z 298 " (cutoff:3.500A) Processing sheet with id=BS8, first strand: chain 'z' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR z 292 " --> pdb=" O ASN z 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN z 130 " --> pdb=" O THR z 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU z 294 " --> pdb=" O LEU z 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU z 128 " --> pdb=" O GLU z 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU z 296 " --> pdb=" O TYR z 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR z 126 " --> pdb=" O GLU z 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU z 298 " --> pdb=" O VAL z 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL z 124 " --> pdb=" O GLU z 298 " (cutoff:3.500A) Processing sheet with id=BS9, first strand: chain 'z' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP z 178 " --> pdb=" O ILE z 341 " (cutoff:3.500A) Processing sheet with id=BT1, first strand: chain 'z' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER z 335 " --> pdb=" O ASN z 342 " (cutoff:3.500A) Processing sheet with id=BT2, first strand: chain 'z' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP z 229 " --> pdb=" O GLN z 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=BT2 Processing sheet with id=BT3, first strand: chain 'z' and resid 257 through 262 removed outlier: 3.510A pdb=" N HIS z 257 " --> pdb=" O HIS z 368 " (cutoff:3.500A) Processing sheet with id=BT4, first strand: chain '7' and resid 59 through 75 removed outlier: 4.681A pdb=" N GLY 7 74 " --> pdb=" O LEU 7 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU 7 287 " --> pdb=" O GLY 7 74 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N THR 7 292 " --> pdb=" O ASN 7 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN 7 130 " --> pdb=" O THR 7 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU 7 294 " --> pdb=" O LEU 7 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU 7 128 " --> pdb=" O GLU 7 294 " (cutoff:3.500A) removed outlier: 6.630A pdb=" N GLU 7 296 " --> pdb=" O TYR 7 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR 7 126 " --> pdb=" O GLU 7 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU 7 298 " --> pdb=" O VAL 7 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL 7 124 " --> pdb=" O GLU 7 298 " (cutoff:3.500A) Processing sheet with id=BT5, first strand: chain '7' and resid 118 through 120 removed outlier: 4.369A pdb=" N THR 7 292 " --> pdb=" O ASN 7 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN 7 130 " --> pdb=" O THR 7 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU 7 294 " --> pdb=" O LEU 7 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU 7 128 " --> pdb=" O GLU 7 294 " (cutoff:3.500A) removed outlier: 6.630A pdb=" N GLU 7 296 " --> pdb=" O TYR 7 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR 7 126 " --> pdb=" O GLU 7 296 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N GLU 7 298 " --> pdb=" O VAL 7 124 " (cutoff:3.500A) removed outlier: 5.820A pdb=" N VAL 7 124 " --> pdb=" O GLU 7 298 " (cutoff:3.500A) Processing sheet with id=BT6, first strand: chain '7' and resid 169 through 170 removed outlier: 4.326A pdb=" N TRP 7 178 " --> pdb=" O ILE 7 341 " (cutoff:3.500A) Processing sheet with id=BT7, first strand: chain '7' and resid 169 through 170 removed outlier: 7.377A pdb=" N SER 7 335 " --> pdb=" O ASN 7 342 " (cutoff:3.500A) Processing sheet with id=BT8, first strand: chain '7' and resid 229 through 230 removed outlier: 6.226A pdb=" N TRP 7 229 " --> pdb=" O GLN 7 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=BT8 Processing sheet with id=BT9, first strand: chain '7' and resid 257 through 262 removed outlier: 3.509A pdb=" N HIS 7 257 " --> pdb=" O HIS 7 368 " (cutoff:3.500A) Processing sheet with id=BU1, first strand: chain '8' and resid 59 through 75 removed outlier: 4.682A pdb=" N GLY 8 74 " --> pdb=" O LEU 8 287 " (cutoff:3.500A) removed outlier: 7.510A pdb=" N LEU 8 287 " --> pdb=" O GLY 8 74 " (cutoff:3.500A) removed outlier: 4.370A pdb=" N THR 8 292 " --> pdb=" O ASN 8 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN 8 130 " --> pdb=" O THR 8 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU 8 294 " --> pdb=" O LEU 8 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU 8 128 " --> pdb=" O GLU 8 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU 8 296 " --> pdb=" O TYR 8 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR 8 126 " --> pdb=" O GLU 8 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU 8 298 " --> pdb=" O VAL 8 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL 8 124 " --> pdb=" O GLU 8 298 " (cutoff:3.500A) Processing sheet with id=BU2, first strand: chain '8' and resid 118 through 120 removed outlier: 4.370A pdb=" N THR 8 292 " --> pdb=" O ASN 8 130 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N ASN 8 130 " --> pdb=" O THR 8 292 " (cutoff:3.500A) removed outlier: 7.113A pdb=" N GLU 8 294 " --> pdb=" O LEU 8 128 " (cutoff:3.500A) removed outlier: 5.332A pdb=" N LEU 8 128 " --> pdb=" O GLU 8 294 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N GLU 8 296 " --> pdb=" O TYR 8 126 " (cutoff:3.500A) removed outlier: 4.984A pdb=" N TYR 8 126 " --> pdb=" O GLU 8 296 " (cutoff:3.500A) removed outlier: 6.972A pdb=" N GLU 8 298 " --> pdb=" O VAL 8 124 " (cutoff:3.500A) removed outlier: 5.819A pdb=" N VAL 8 124 " --> pdb=" O GLU 8 298 " (cutoff:3.500A) Processing sheet with id=BU3, first strand: chain '8' and resid 169 through 170 removed outlier: 4.327A pdb=" N TRP 8 178 " --> pdb=" O ILE 8 341 " (cutoff:3.500A) Processing sheet with id=BU4, first strand: chain '8' and resid 169 through 170 removed outlier: 7.378A pdb=" N SER 8 335 " --> pdb=" O ASN 8 342 " (cutoff:3.500A) Processing sheet with id=BU5, first strand: chain '8' and resid 229 through 230 removed outlier: 6.225A pdb=" N TRP 8 229 " --> pdb=" O GLN 8 328 " (cutoff:3.500A) No H-bonds generated for sheet with id=BU5 Processing sheet with id=BU6, first strand: chain '8' and resid 257 through 262 removed outlier: 3.511A pdb=" N HIS 8 257 " --> pdb=" O HIS 8 368 " (cutoff:3.500A) 4860 hydrogen bonds defined for protein. 12780 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: 149.33 Time building geometry restraints manager: 52.60 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.22 - 1.33: 46779 1.33 - 1.45: 25080 1.45 - 1.56: 82461 1.56 - 1.68: 0 1.68 - 1.80: 1440 Bond restraints: 155760 Sorted by residual: bond pdb=" SD MET i 268 " pdb=" CE MET i 268 " ideal model delta sigma weight residual 1.791 1.724 0.067 2.50e-02 1.60e+03 7.21e+00 bond pdb=" SD MET G 268 " pdb=" CE MET G 268 " ideal model delta sigma weight residual 1.791 1.724 0.067 2.50e-02 1.60e+03 7.21e+00 bond pdb=" SD MET O 268 " pdb=" CE MET O 268 " ideal model delta sigma weight residual 1.791 1.724 0.067 2.50e-02 1.60e+03 7.21e+00 bond pdb=" SD MET z 268 " pdb=" CE MET z 268 " ideal model delta sigma weight residual 1.791 1.724 0.067 2.50e-02 1.60e+03 7.20e+00 bond pdb=" SD MET q 268 " pdb=" CE MET q 268 " ideal model delta sigma weight residual 1.791 1.724 0.067 2.50e-02 1.60e+03 7.20e+00 ... (remaining 155755 not shown) Histogram of bond angle deviations from ideal: 97.47 - 104.81: 3118 104.81 - 112.14: 76937 112.14 - 119.47: 50534 119.47 - 126.80: 78650 126.80 - 134.13: 2681 Bond angle restraints: 211920 Sorted by residual: angle pdb=" C ASN r 264 " pdb=" N ASN r 265 " pdb=" CA ASN r 265 " ideal model delta sigma weight residual 122.93 118.01 4.92 1.51e+00 4.39e-01 1.06e+01 angle pdb=" C ASN G 264 " pdb=" N ASN G 265 " pdb=" CA ASN G 265 " ideal model delta sigma weight residual 122.93 118.01 4.92 1.51e+00 4.39e-01 1.06e+01 angle pdb=" C ASN E 264 " pdb=" N ASN E 265 " pdb=" CA ASN E 265 " ideal model delta sigma weight residual 122.93 118.01 4.92 1.51e+00 4.39e-01 1.06e+01 angle pdb=" C ASN a 264 " pdb=" N ASN a 265 " pdb=" CA ASN a 265 " ideal model delta sigma weight residual 122.93 118.03 4.90 1.51e+00 4.39e-01 1.05e+01 angle pdb=" C ASN I 264 " pdb=" N ASN I 265 " pdb=" CA ASN I 265 " ideal model delta sigma weight residual 122.93 118.03 4.90 1.51e+00 4.39e-01 1.05e+01 ... (remaining 211915 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 16.71: 87591 16.71 - 33.41: 3189 33.41 - 50.12: 240 50.12 - 66.82: 60 66.82 - 83.53: 120 Dihedral angle restraints: 91200 sinusoidal: 35880 harmonic: 55320 Sorted by residual: dihedral pdb=" CA GLU G 185 " pdb=" C GLU G 185 " pdb=" N LEU G 186 " pdb=" CA LEU G 186 " ideal model delta harmonic sigma weight residual -180.00 -156.63 -23.37 0 5.00e+00 4.00e-02 2.18e+01 dihedral pdb=" CA GLU n 185 " pdb=" C GLU n 185 " pdb=" N LEU n 186 " pdb=" CA LEU n 186 " ideal model delta harmonic sigma weight residual -180.00 -156.63 -23.37 0 5.00e+00 4.00e-02 2.18e+01 dihedral pdb=" CA GLU t 185 " pdb=" C GLU t 185 " pdb=" N LEU t 186 " pdb=" CA LEU t 186 " ideal model delta harmonic sigma weight residual 180.00 -156.63 -23.37 0 5.00e+00 4.00e-02 2.18e+01 ... (remaining 91197 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.075: 18411 0.075 - 0.151: 4168 0.151 - 0.226: 461 0.226 - 0.301: 120 0.301 - 0.377: 60 Chirality restraints: 23220 Sorted by residual: chirality pdb=" CB VAL W 239 " pdb=" CA VAL W 239 " pdb=" CG1 VAL W 239 " pdb=" CG2 VAL W 239 " both_signs ideal model delta sigma weight residual False -2.63 -2.25 -0.38 2.00e-01 2.50e+01 3.55e+00 chirality pdb=" CB VAL r 239 " pdb=" CA VAL r 239 " pdb=" CG1 VAL r 239 " pdb=" CG2 VAL r 239 " both_signs ideal model delta sigma weight residual False -2.63 -2.25 -0.38 2.00e-01 2.50e+01 3.53e+00 chirality pdb=" CB VAL U 239 " pdb=" CA VAL U 239 " pdb=" CG1 VAL U 239 " pdb=" CG2 VAL U 239 " both_signs ideal model delta sigma weight residual False -2.63 -2.25 -0.37 2.00e-01 2.50e+01 3.51e+00 ... (remaining 23217 not shown) Planarity restraints: 27240 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CB TRP D 211 " 0.028 2.00e-02 2.50e+03 2.24e-02 1.26e+01 pdb=" CG TRP D 211 " -0.059 2.00e-02 2.50e+03 pdb=" CD1 TRP D 211 " 0.026 2.00e-02 2.50e+03 pdb=" CD2 TRP D 211 " -0.006 2.00e-02 2.50e+03 pdb=" NE1 TRP D 211 " 0.002 2.00e-02 2.50e+03 pdb=" CE2 TRP D 211 " -0.001 2.00e-02 2.50e+03 pdb=" CE3 TRP D 211 " -0.001 2.00e-02 2.50e+03 pdb=" CZ2 TRP D 211 " -0.000 2.00e-02 2.50e+03 pdb=" CZ3 TRP D 211 " 0.009 2.00e-02 2.50e+03 pdb=" CH2 TRP D 211 " 0.003 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CB TRP j 211 " 0.028 2.00e-02 2.50e+03 2.24e-02 1.26e+01 pdb=" CG TRP j 211 " -0.059 2.00e-02 2.50e+03 pdb=" CD1 TRP j 211 " 0.025 2.00e-02 2.50e+03 pdb=" CD2 TRP j 211 " -0.006 2.00e-02 2.50e+03 pdb=" NE1 TRP j 211 " 0.002 2.00e-02 2.50e+03 pdb=" CE2 TRP j 211 " -0.001 2.00e-02 2.50e+03 pdb=" CE3 TRP j 211 " -0.000 2.00e-02 2.50e+03 pdb=" CZ2 TRP j 211 " 0.001 2.00e-02 2.50e+03 pdb=" CZ3 TRP j 211 " 0.008 2.00e-02 2.50e+03 pdb=" CH2 TRP j 211 " 0.003 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CB TRP I 211 " 0.028 2.00e-02 2.50e+03 2.24e-02 1.26e+01 pdb=" CG TRP I 211 " -0.059 2.00e-02 2.50e+03 pdb=" CD1 TRP I 211 " 0.025 2.00e-02 2.50e+03 pdb=" CD2 TRP I 211 " -0.006 2.00e-02 2.50e+03 pdb=" NE1 TRP I 211 " 0.002 2.00e-02 2.50e+03 pdb=" CE2 TRP I 211 " -0.001 2.00e-02 2.50e+03 pdb=" CE3 TRP I 211 " -0.000 2.00e-02 2.50e+03 pdb=" CZ2 TRP I 211 " 0.001 2.00e-02 2.50e+03 pdb=" CZ3 TRP I 211 " 0.008 2.00e-02 2.50e+03 pdb=" CH2 TRP I 211 " 0.003 2.00e-02 2.50e+03 ... (remaining 27237 not shown) Histogram of nonbonded interaction distances: 1.99 - 2.57: 1960 2.57 - 3.15: 134015 3.15 - 3.74: 260855 3.74 - 4.32: 405207 4.32 - 4.90: 658012 Nonbonded interactions: 1460049 Sorted by model distance: nonbonded pdb=" OG1 THR 4 122 " pdb=" O GLU 4 298 " model vdw 1.989 2.440 nonbonded pdb=" OG1 THR k 122 " pdb=" O GLU k 298 " model vdw 1.989 2.440 nonbonded pdb=" OG1 THR u 122 " pdb=" O GLU u 298 " model vdw 1.989 2.440 nonbonded pdb=" OG1 THR B 122 " pdb=" O GLU B 298 " model vdw 1.989 2.440 nonbonded pdb=" OG1 THR R 122 " pdb=" O GLU R 298 " model vdw 1.989 2.440 ... (remaining 1460044 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model Found NCS groups: ncs_group { reference = chain '1' selection = chain '2' selection = chain '3' selection = chain '4' selection = chain '5' selection = chain '6' selection = chain '7' selection = chain '8' selection = chain 'A' selection = chain 'B' selection = chain 'C' selection = chain 'D' selection = chain 'E' selection = chain 'F' selection = chain 'G' selection = chain 'H' selection = chain 'I' selection = chain 'J' selection = chain 'K' selection = chain 'L' selection = chain 'M' selection = chain 'N' selection = chain 'O' selection = chain 'P' selection = chain 'Q' selection = chain 'R' selection = chain 'S' selection = chain 'T' selection = chain 'U' selection = chain 'V' selection = chain 'W' selection = chain 'X' selection = chain 'Y' selection = chain 'Z' selection = chain 'a' selection = chain 'b' selection = chain 'c' selection = chain 'd' selection = chain 'e' selection = chain 'f' selection = chain 'g' selection = chain 'h' selection = chain 'i' selection = chain 'j' selection = chain 'k' selection = chain 'l' selection = chain 'm' selection = chain 'n' selection = chain 'o' selection = chain 'p' selection = chain 'q' selection = chain 'r' selection = chain 's' selection = chain 't' selection = chain 'u' selection = chain 'v' selection = chain 'w' selection = chain 'x' selection = chain 'y' selection = chain 'z' } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as individual isotropic Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 3.700 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.010 Construct map_model_manager: 0.160 Extract box with map and model: 19.680 Check model and map are aligned: 1.710 Set scattering table: 1.090 Process input model: 410.050 Find NCS groups from input model: 9.570 Set up NCS constraints: 2.110 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.030 Load rotamer database and sin/cos tables:10.510 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 458.620 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8465 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 0.086 155760 Z= 0.709 Angle : 0.889 7.093 211920 Z= 0.497 Chirality : 0.067 0.377 23220 Planarity : 0.006 0.068 27240 Dihedral : 9.913 83.528 55680 Min Nonbonded Distance : 1.989 Molprobity Statistics. All-atom Clashscore : 20.54 Ramachandran Plot: Outliers : 0.32 % Allowed : 3.51 % Favored : 96.17 % Rotamer: Outliers : 0.71 % Allowed : 2.12 % Favored : 97.17 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.50 (0.05), residues: 18780 helix: -4.95 (0.05), residues: 780 sheet: 0.06 (0.06), residues: 5700 loop : -1.29 (0.05), residues: 12300 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.059 0.006 TRP N 211 HIS 0.018 0.004 HIS m 159 PHE 0.026 0.004 PHE Y 90 TYR 0.043 0.004 TYR h 210 ARG 0.005 0.001 ARG g 279 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 37560 Ramachandran restraints generated. 18780 Oldfield, 0 Emsley, 18780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 37560 Ramachandran restraints generated. 18780 Oldfield, 0 Emsley, 18780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 4514 residues out of total 16980 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 120 poor density : 4394 time to evaluate : 13.113 Fit side-chains REVERT: B 50 THR cc_start: 0.9025 (p) cc_final: 0.8822 (t) REVERT: B 68 ASN cc_start: 0.8263 (t0) cc_final: 0.8049 (t0) REVERT: B 89 ARG cc_start: 0.8496 (ttm-80) cc_final: 0.8186 (ttm170) REVERT: B 108 LYS cc_start: 0.9207 (mtpp) cc_final: 0.8944 (mtpm) REVERT: B 243 ASN cc_start: 0.8551 (m-40) cc_final: 0.8320 (m110) REVERT: B 266 ARG cc_start: 0.8864 (ttm-80) cc_final: 0.8656 (ttm170) REVERT: C 157 MET cc_start: 0.9048 (ttp) cc_final: 0.8829 (ttm) REVERT: C 182 SER cc_start: 0.8412 (t) cc_final: 0.8146 (m) REVERT: D 182 SER cc_start: 0.8490 (t) cc_final: 0.8272 (m) REVERT: E 50 THR cc_start: 0.8959 (p) cc_final: 0.8742 (t) REVERT: E 58 VAL cc_start: 0.9362 (p) cc_final: 0.9102 (t) REVERT: G 58 VAL cc_start: 0.9363 (p) cc_final: 0.9105 (t) REVERT: H 182 SER cc_start: 0.8496 (t) cc_final: 0.8270 (m) REVERT: I 157 MET cc_start: 0.9045 (ttp) cc_final: 0.8825 (ttm) REVERT: I 182 SER cc_start: 0.8405 (t) cc_final: 0.8140 (m) REVERT: J 50 THR cc_start: 0.9032 (p) cc_final: 0.8822 (t) REVERT: J 68 ASN cc_start: 0.8247 (t0) cc_final: 0.8036 (t0) REVERT: J 89 ARG cc_start: 0.8491 (ttm-80) cc_final: 0.8176 (ttm170) REVERT: J 243 ASN cc_start: 0.8548 (m-40) cc_final: 0.8320 (m110) REVERT: J 266 ARG cc_start: 0.8866 (ttm-80) cc_final: 0.8651 (ttm170) REVERT: K 58 VAL cc_start: 0.9364 (p) cc_final: 0.9162 (t) REVERT: K 157 MET cc_start: 0.9056 (ttp) cc_final: 0.8840 (ttm) REVERT: K 182 SER cc_start: 0.8416 (t) cc_final: 0.8144 (m) REVERT: L 50 THR cc_start: 0.9033 (p) cc_final: 0.8820 (t) REVERT: L 68 ASN cc_start: 0.8262 (t0) cc_final: 0.8045 (t0) REVERT: L 89 ARG cc_start: 0.8485 (ttm-80) cc_final: 0.8193 (ttm170) REVERT: L 212 LYS cc_start: 0.8703 (mttp) cc_final: 0.8447 (mttm) REVERT: L 243 ASN cc_start: 0.8564 (m-40) cc_final: 0.8325 (m110) REVERT: L 266 ARG cc_start: 0.8865 (ttm-80) cc_final: 0.8653 (ttm170) REVERT: M 50 THR cc_start: 0.8965 (p) cc_final: 0.8746 (t) REVERT: M 58 VAL cc_start: 0.9363 (p) cc_final: 0.9099 (t) REVERT: N 182 SER cc_start: 0.8492 (t) cc_final: 0.8274 (m) REVERT: O 58 VAL cc_start: 0.9360 (p) cc_final: 0.9104 (t) REVERT: P 182 SER cc_start: 0.8490 (t) cc_final: 0.8270 (m) REVERT: Q 58 VAL cc_start: 0.9360 (p) cc_final: 0.9159 (t) REVERT: Q 157 MET cc_start: 0.9047 (ttp) cc_final: 0.8827 (ttm) REVERT: Q 182 SER cc_start: 0.8413 (t) cc_final: 0.8147 (m) REVERT: R 50 THR cc_start: 0.9028 (p) cc_final: 0.8819 (t) REVERT: R 68 ASN cc_start: 0.8265 (t0) cc_final: 0.8051 (t0) REVERT: R 89 ARG cc_start: 0.8501 (ttm-80) cc_final: 0.8190 (ttm170) REVERT: R 108 LYS cc_start: 0.9206 (mtpp) cc_final: 0.8945 (mtpm) REVERT: R 243 ASN cc_start: 0.8567 (m-40) cc_final: 0.8332 (m110) REVERT: R 266 ARG cc_start: 0.8862 (ttm-80) cc_final: 0.8658 (ttm170) REVERT: S 50 THR cc_start: 0.9029 (p) cc_final: 0.8819 (t) REVERT: S 68 ASN cc_start: 0.8261 (t0) cc_final: 0.8045 (t0) REVERT: S 89 ARG cc_start: 0.8480 (ttm-80) cc_final: 0.8164 (ttm170) REVERT: S 243 ASN cc_start: 0.8550 (m-40) cc_final: 0.8319 (m110) REVERT: S 266 ARG cc_start: 0.8866 (ttm-80) cc_final: 0.8649 (ttm170) REVERT: T 157 MET cc_start: 0.9058 (ttp) cc_final: 0.8831 (ttm) REVERT: T 182 SER cc_start: 0.8406 (t) cc_final: 0.8138 (m) REVERT: U 50 THR cc_start: 0.9033 (p) cc_final: 0.8824 (t) REVERT: U 68 ASN cc_start: 0.8244 (t0) cc_final: 0.8030 (t0) REVERT: U 89 ARG cc_start: 0.8491 (ttm-80) cc_final: 0.8198 (ttm170) REVERT: U 212 LYS cc_start: 0.8705 (mttp) cc_final: 0.8448 (mttm) REVERT: U 243 ASN cc_start: 0.8548 (m-40) cc_final: 0.8320 (m110) REVERT: U 266 ARG cc_start: 0.8866 (ttm-80) cc_final: 0.8651 (ttm170) REVERT: V 58 VAL cc_start: 0.9365 (p) cc_final: 0.9163 (t) REVERT: V 157 MET cc_start: 0.9044 (ttp) cc_final: 0.8833 (ttm) REVERT: V 182 SER cc_start: 0.8415 (t) cc_final: 0.8144 (m) REVERT: W 182 SER cc_start: 0.8488 (t) cc_final: 0.8262 (m) REVERT: X 50 THR cc_start: 0.8954 (p) cc_final: 0.8738 (t) REVERT: X 58 VAL cc_start: 0.9361 (p) cc_final: 0.9096 (t) REVERT: Y 182 SER cc_start: 0.8485 (t) cc_final: 0.8265 (m) REVERT: Z 58 VAL cc_start: 0.9364 (p) cc_final: 0.9100 (t) REVERT: 6 58 VAL cc_start: 0.9285 (p) cc_final: 0.9080 (t) REVERT: a 58 VAL cc_start: 0.9367 (p) cc_final: 0.9164 (t) REVERT: a 157 MET cc_start: 0.9061 (ttp) cc_final: 0.8840 (ttm) REVERT: a 182 SER cc_start: 0.8404 (t) cc_final: 0.8143 (m) REVERT: b 58 VAL cc_start: 0.9363 (p) cc_final: 0.9098 (t) REVERT: c 182 SER cc_start: 0.8486 (t) cc_final: 0.8257 (m) REVERT: f 50 THR cc_start: 0.8964 (p) cc_final: 0.8750 (t) REVERT: f 58 VAL cc_start: 0.9362 (p) cc_final: 0.9102 (t) REVERT: g 58 VAL cc_start: 0.9360 (p) cc_final: 0.9160 (t) REVERT: g 157 MET cc_start: 0.9065 (ttp) cc_final: 0.8833 (ttm) REVERT: g 182 SER cc_start: 0.8414 (t) cc_final: 0.8146 (m) REVERT: i 50 THR cc_start: 0.8962 (p) cc_final: 0.8736 (t) REVERT: i 58 VAL cc_start: 0.9363 (p) cc_final: 0.9102 (t) REVERT: j 157 MET cc_start: 0.9044 (ttp) cc_final: 0.8825 (ttm) REVERT: j 182 SER cc_start: 0.8405 (t) cc_final: 0.8139 (m) REVERT: k 50 THR cc_start: 0.9028 (p) cc_final: 0.8823 (t) REVERT: k 68 ASN cc_start: 0.8248 (t0) cc_final: 0.8035 (t0) REVERT: k 89 ARG cc_start: 0.8508 (ttm-80) cc_final: 0.8196 (ttm170) REVERT: k 108 LYS cc_start: 0.9205 (mtpp) cc_final: 0.8941 (mtpm) REVERT: k 243 ASN cc_start: 0.8549 (m-40) cc_final: 0.8322 (m110) REVERT: k 266 ARG cc_start: 0.8864 (ttm-80) cc_final: 0.8658 (ttm170) REVERT: l 50 THR cc_start: 0.9033 (p) cc_final: 0.8820 (t) REVERT: l 68 ASN cc_start: 0.8263 (t0) cc_final: 0.8048 (t0) REVERT: l 89 ARG cc_start: 0.8485 (ttm-80) cc_final: 0.8191 (ttm170) REVERT: l 212 LYS cc_start: 0.8702 (mttp) cc_final: 0.8445 (mttm) REVERT: l 243 ASN cc_start: 0.8566 (m-40) cc_final: 0.8330 (m110) REVERT: l 266 ARG cc_start: 0.8866 (ttm-80) cc_final: 0.8653 (ttm170) REVERT: m 50 THR cc_start: 0.9031 (p) cc_final: 0.8824 (t) REVERT: m 68 ASN cc_start: 0.8258 (t0) cc_final: 0.8043 (t0) REVERT: m 89 ARG cc_start: 0.8480 (ttm-80) cc_final: 0.8165 (ttm170) REVERT: m 212 LYS cc_start: 0.8702 (mttp) cc_final: 0.8443 (mttm) REVERT: m 243 ASN cc_start: 0.8549 (m-40) cc_final: 0.8316 (m110) REVERT: m 266 ARG cc_start: 0.8866 (ttm-80) cc_final: 0.8650 (ttm170) REVERT: n 58 VAL cc_start: 0.9365 (p) cc_final: 0.9100 (t) REVERT: o 58 VAL cc_start: 0.9367 (p) cc_final: 0.9163 (t) REVERT: o 157 MET cc_start: 0.9061 (ttp) cc_final: 0.8835 (ttm) REVERT: o 182 SER cc_start: 0.8406 (t) cc_final: 0.8142 (m) REVERT: p 58 VAL cc_start: 0.9285 (p) cc_final: 0.9079 (t) REVERT: q 58 VAL cc_start: 0.9362 (p) cc_final: 0.9089 (t) REVERT: r 58 VAL cc_start: 0.9365 (p) cc_final: 0.9162 (t) REVERT: r 157 MET cc_start: 0.9043 (ttp) cc_final: 0.8835 (ttm) REVERT: r 182 SER cc_start: 0.8415 (t) cc_final: 0.8139 (m) REVERT: t 50 THR cc_start: 0.9030 (p) cc_final: 0.8821 (t) REVERT: t 68 ASN cc_start: 0.8251 (t0) cc_final: 0.8038 (t0) REVERT: t 89 ARG cc_start: 0.8483 (ttm-80) cc_final: 0.8191 (ttm170) REVERT: t 212 LYS cc_start: 0.8699 (mttp) cc_final: 0.8445 (mttm) REVERT: t 243 ASN cc_start: 0.8560 (m-40) cc_final: 0.8324 (m110) REVERT: t 266 ARG cc_start: 0.8860 (ttm-80) cc_final: 0.8640 (ttm170) REVERT: u 50 THR cc_start: 0.9023 (p) cc_final: 0.8819 (t) REVERT: u 68 ASN cc_start: 0.8257 (t0) cc_final: 0.8041 (t0) REVERT: u 89 ARG cc_start: 0.8502 (ttm-80) cc_final: 0.8191 (ttm170) REVERT: u 108 LYS cc_start: 0.9207 (mtpp) cc_final: 0.8945 (mtpm) REVERT: u 243 ASN cc_start: 0.8564 (m-40) cc_final: 0.8330 (m110) REVERT: u 266 ARG cc_start: 0.8859 (ttm-80) cc_final: 0.8649 (ttm170) REVERT: v 50 THR cc_start: 0.9030 (p) cc_final: 0.8819 (t) REVERT: v 68 ASN cc_start: 0.8254 (t0) cc_final: 0.8042 (t0) REVERT: v 89 ARG cc_start: 0.8484 (ttm-80) cc_final: 0.8169 (ttm170) REVERT: v 243 ASN cc_start: 0.8562 (m-40) cc_final: 0.8326 (m110) REVERT: v 266 ARG cc_start: 0.8862 (ttm-80) cc_final: 0.8643 (ttm170) REVERT: w 58 VAL cc_start: 0.9284 (p) cc_final: 0.9084 (t) REVERT: x 58 VAL cc_start: 0.9366 (p) cc_final: 0.9165 (t) REVERT: x 157 MET cc_start: 0.9068 (ttp) cc_final: 0.8835 (ttm) REVERT: x 182 SER cc_start: 0.8405 (t) cc_final: 0.8138 (m) REVERT: y 182 SER cc_start: 0.8495 (t) cc_final: 0.8264 (m) REVERT: z 182 SER cc_start: 0.8496 (t) cc_final: 0.8270 (m) REVERT: 7 182 SER cc_start: 0.8478 (t) cc_final: 0.8263 (m) REVERT: 8 58 VAL cc_start: 0.9360 (p) cc_final: 0.9101 (t) outliers start: 120 outliers final: 60 residues processed: 4514 average time/residue: 2.0270 time to fit residues: 13479.8961 Evaluate side-chains 2714 residues out of total 16980 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 60 poor density : 2654 time to evaluate : 13.126 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 239 VAL Chi-restraints excluded: chain B residue 239 VAL Chi-restraints excluded: chain C residue 239 VAL Chi-restraints excluded: chain D residue 239 VAL Chi-restraints excluded: chain E residue 239 VAL Chi-restraints excluded: chain F residue 239 VAL Chi-restraints excluded: chain G residue 239 VAL Chi-restraints excluded: chain H residue 239 VAL Chi-restraints excluded: chain I residue 239 VAL Chi-restraints excluded: chain J residue 239 VAL Chi-restraints excluded: chain K residue 239 VAL Chi-restraints excluded: chain L residue 239 VAL Chi-restraints excluded: chain M residue 239 VAL Chi-restraints excluded: chain N residue 239 VAL Chi-restraints excluded: chain O residue 239 VAL Chi-restraints excluded: chain P residue 239 VAL Chi-restraints excluded: chain Q residue 239 VAL Chi-restraints excluded: chain R residue 239 VAL Chi-restraints excluded: chain S residue 239 VAL Chi-restraints excluded: chain T residue 239 VAL Chi-restraints excluded: chain U residue 239 VAL Chi-restraints excluded: chain V residue 239 VAL Chi-restraints excluded: chain W residue 239 VAL Chi-restraints excluded: chain X residue 239 VAL Chi-restraints excluded: chain Y residue 239 VAL Chi-restraints excluded: chain Z residue 239 VAL Chi-restraints excluded: chain 1 residue 239 VAL Chi-restraints excluded: chain 2 residue 239 VAL Chi-restraints excluded: chain 3 residue 239 VAL Chi-restraints excluded: chain 4 residue 239 VAL Chi-restraints excluded: chain 5 residue 239 VAL Chi-restraints excluded: chain 6 residue 239 VAL Chi-restraints excluded: chain a residue 239 VAL Chi-restraints excluded: chain b residue 239 VAL Chi-restraints excluded: chain c residue 239 VAL Chi-restraints excluded: chain d residue 239 VAL Chi-restraints excluded: chain e residue 239 VAL Chi-restraints excluded: chain f residue 239 VAL Chi-restraints excluded: chain g residue 239 VAL Chi-restraints excluded: chain h residue 239 VAL Chi-restraints excluded: chain i residue 239 VAL Chi-restraints excluded: chain j residue 239 VAL Chi-restraints excluded: chain k residue 239 VAL Chi-restraints excluded: chain l residue 239 VAL Chi-restraints excluded: chain m residue 239 VAL Chi-restraints excluded: chain n residue 239 VAL Chi-restraints excluded: chain o residue 239 VAL Chi-restraints excluded: chain p residue 239 VAL Chi-restraints excluded: chain q residue 239 VAL Chi-restraints excluded: chain r residue 239 VAL Chi-restraints excluded: chain s residue 239 VAL Chi-restraints excluded: chain t residue 239 VAL Chi-restraints excluded: chain u residue 239 VAL Chi-restraints excluded: chain v residue 239 VAL Chi-restraints excluded: chain w residue 239 VAL Chi-restraints excluded: chain x residue 239 VAL Chi-restraints excluded: chain y residue 239 VAL Chi-restraints excluded: chain z residue 239 VAL Chi-restraints excluded: chain 7 residue 239 VAL Chi-restraints excluded: chain 8 residue 239 VAL Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1860 random chunks: chunk 1570 optimal weight: 0.7980 chunk 1409 optimal weight: 5.9990 chunk 782 optimal weight: 2.9990 chunk 481 optimal weight: 0.9990 chunk 950 optimal weight: 0.6980 chunk 753 optimal weight: 3.9990 chunk 1457 optimal weight: 3.9990 chunk 564 optimal weight: 1.9990 chunk 886 optimal weight: 0.7980 chunk 1085 optimal weight: 5.9990 chunk 1689 optimal weight: 0.9990 overall best weight: 0.8584 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 152 ASN ** A 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 222 HIS ** A 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 265 ASN A 317 ASN A 319 ASN A 357 ASN B 95 ASN B 106 HIS B 152 ASN ** B 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 265 ASN ** B 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 317 ASN B 357 ASN C 152 ASN ** C 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 222 HIS ** C 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 265 ASN ** C 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 317 ASN C 319 ASN C 357 ASN D 152 ASN ** D 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 265 ASN ** D 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 317 ASN D 357 ASN E 152 ASN ** E 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 222 HIS ** E 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 265 ASN E 317 ASN E 357 ASN F 152 ASN ** F 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 222 HIS ** F 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 265 ASN F 317 ASN F 319 ASN F 357 ASN G 152 ASN ** G 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 222 HIS ** G 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 265 ASN G 317 ASN G 357 ASN H 152 ASN ** H 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 265 ASN ** H 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 317 ASN H 357 ASN I 152 ASN ** I 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 222 HIS ** I 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 265 ASN ** I 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 317 ASN I 319 ASN I 357 ASN J 95 ASN J 152 ASN ** J 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 265 ASN J 317 ASN J 357 ASN K 152 ASN ** K 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 222 HIS ** K 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 265 ASN ** K 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 317 ASN K 319 ASN K 357 ASN L 95 ASN L 152 ASN ** L 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 265 ASN ** L 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 317 ASN L 357 ASN M 152 ASN ** M 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 222 HIS ** M 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 265 ASN M 317 ASN M 357 ASN N 152 ASN ** N 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 265 ASN ** N 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 317 ASN N 357 ASN O 152 ASN ** O 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 222 HIS ** O 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 265 ASN O 317 ASN O 357 ASN P 152 ASN ** P 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 265 ASN ** P 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 317 ASN P 357 ASN Q 152 ASN ** Q 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 265 ASN ** Q 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 317 ASN Q 319 ASN Q 357 ASN R 95 ASN R 106 HIS R 152 ASN ** R 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 265 ASN ** R 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 317 ASN R 357 ASN S 95 ASN S 152 ASN ** S 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 265 ASN S 317 ASN S 357 ASN T 152 ASN ** T 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 222 HIS ** T 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** T 265 ASN ** T 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 317 ASN T 319 ASN T 357 ASN U 95 ASN U 152 ASN ** U 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 265 ASN ** U 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 317 ASN U 357 ASN V 152 ASN ** V 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 222 HIS ** V 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** V 265 ASN ** V 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 317 ASN V 319 ASN V 357 ASN W 152 ASN ** W 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 265 ASN ** W 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 317 ASN W 357 ASN X 152 ASN ** X 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 222 HIS ** X 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 265 ASN X 317 ASN X 357 ASN Y 152 ASN ** Y 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 265 ASN ** Y 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 317 ASN Y 357 ASN Z 152 ASN ** Z 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 222 HIS ** Z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 265 ASN Z 317 ASN Z 357 ASN 1 152 ASN ** 1 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 222 HIS ** 1 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 265 ASN 1 317 ASN 1 319 ASN 1 357 ASN 2 152 ASN ** 2 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 222 HIS ** 2 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 265 ASN 2 317 ASN 2 319 ASN 2 357 ASN 3 152 ASN ** 3 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 222 HIS ** 3 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 265 ASN 3 317 ASN 3 319 ASN 3 357 ASN 4 152 ASN ** 4 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 222 HIS ** 4 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 265 ASN 4 317 ASN 4 319 ASN 4 357 ASN 5 152 ASN ** 5 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 222 HIS ** 5 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 265 ASN 5 317 ASN 5 319 ASN 5 357 ASN 6 152 ASN ** 6 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 222 HIS ** 6 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 265 ASN 6 317 ASN 6 319 ASN 6 357 ASN a 152 ASN ** a 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 222 HIS ** a 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 265 ASN ** a 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 317 ASN a 319 ASN a 357 ASN b 152 ASN ** b 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 222 HIS ** b 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 265 ASN b 317 ASN b 357 ASN c 152 ASN ** c 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 265 ASN ** c 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 317 ASN c 357 ASN d 152 ASN ** d 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 265 ASN ** d 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 317 ASN d 357 ASN e 152 ASN ** e 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 222 HIS ** e 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 259 ASN e 265 ASN e 317 ASN e 357 ASN f 152 ASN ** f 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 222 HIS ** f 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 265 ASN f 317 ASN f 357 ASN g 152 ASN ** g 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 265 ASN ** g 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 317 ASN g 319 ASN g 357 ASN h 152 ASN ** h 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 222 HIS ** h 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 265 ASN h 317 ASN h 319 ASN h 357 ASN i 152 ASN ** i 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 222 HIS ** i 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** i 265 ASN i 317 ASN i 357 ASN j 152 ASN ** j 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 222 HIS ** j 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 265 ASN ** j 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 317 ASN j 319 ASN j 357 ASN k 95 ASN k 106 HIS k 152 ASN ** k 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 265 ASN ** k 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 317 ASN k 357 ASN l 95 ASN l 152 ASN ** l 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 265 ASN l 317 ASN l 357 ASN m 95 ASN m 152 ASN ** m 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 265 ASN ** m 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 317 ASN m 357 ASN n 152 ASN ** n 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 222 HIS ** n 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 265 ASN n 317 ASN n 357 ASN o 152 ASN ** o 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 265 ASN ** o 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 317 ASN o 319 ASN o 357 ASN p 152 ASN ** p 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 222 HIS ** p 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 265 ASN p 317 ASN p 319 ASN p 357 ASN q 152 ASN ** q 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 222 HIS ** q 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 265 ASN ** q 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 317 ASN q 357 ASN r 152 ASN ** r 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 222 HIS ** r 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 265 ASN ** r 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 317 ASN r 319 ASN r 357 ASN s 152 ASN ** s 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 222 HIS ** s 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 265 ASN s 317 ASN s 319 ASN s 357 ASN t 95 ASN t 152 ASN ** t 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 265 ASN t 317 ASN t 357 ASN u 95 ASN u 106 HIS u 152 ASN ** u 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 265 ASN ** u 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 317 ASN u 357 ASN v 95 ASN v 152 ASN ** v 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 265 ASN ** v 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 317 ASN v 357 ASN w 152 ASN ** w 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 222 HIS ** w 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 265 ASN w 317 ASN w 319 ASN w 357 ASN x 152 ASN ** x 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 222 HIS ** x 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 265 ASN ** x 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 317 ASN x 319 ASN x 357 ASN y 152 ASN ** y 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 265 ASN ** y 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 317 ASN y 357 ASN z 152 ASN ** z 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 265 ASN ** z 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 317 ASN z 357 ASN 7 152 ASN ** 7 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 265 ASN ** 7 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 317 ASN 7 357 ASN 8 152 ASN ** 8 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 222 HIS ** 8 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 265 ASN 8 317 ASN 8 357 ASN Total number of N/Q/H flips: 315 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8404 moved from start: 0.2159 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.029 155760 Z= 0.220 Angle : 0.616 6.227 211920 Z= 0.333 Chirality : 0.049 0.188 23220 Planarity : 0.004 0.045 27240 Dihedral : 6.585 43.692 20640 Min Nonbonded Distance : 1.998 Molprobity Statistics. All-atom Clashscore : 15.44 Ramachandran Plot: Outliers : 0.32 % Allowed : 4.19 % Favored : 95.49 % Rotamer: Outliers : 2.91 % Allowed : 9.63 % Favored : 87.46 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.28 (0.06), residues: 18780 helix: -3.76 (0.12), residues: 840 sheet: -0.02 (0.06), residues: 5820 loop : -1.08 (0.05), residues: 12120 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.026 0.002 TRP r 211 HIS 0.011 0.001 HIS z 159 PHE 0.016 0.002 PHE e 301 TYR 0.013 0.002 TYR J 110 ARG 0.004 0.000 ARG N 61 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 37560 Ramachandran restraints generated. 18780 Oldfield, 0 Emsley, 18780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 37560 Ramachandran restraints generated. 18780 Oldfield, 0 Emsley, 18780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3597 residues out of total 16980 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 494 poor density : 3103 time to evaluate : 13.222 Fit side-chains REVERT: A 207 LYS cc_start: 0.8421 (tttp) cc_final: 0.8154 (mtpp) REVERT: B 80 MET cc_start: 0.8918 (ptt) cc_final: 0.8626 (ptt) REVERT: B 364 MET cc_start: 0.8608 (ptp) cc_final: 0.8392 (ptm) REVERT: C 48 GLN cc_start: 0.8384 (OUTLIER) cc_final: 0.8140 (mt0) REVERT: C 157 MET cc_start: 0.8985 (ttp) cc_final: 0.8731 (ttm) REVERT: D 48 GLN cc_start: 0.8457 (OUTLIER) cc_final: 0.8181 (mt0) REVERT: D 312 ASN cc_start: 0.8654 (OUTLIER) cc_final: 0.8440 (m110) REVERT: E 199 ILE cc_start: 0.9078 (mm) cc_final: 0.8780 (mt) REVERT: E 266 ARG cc_start: 0.8674 (ttm-80) cc_final: 0.8454 (ttt180) REVERT: F 207 LYS cc_start: 0.8419 (tttp) cc_final: 0.8156 (mtpp) REVERT: G 199 ILE cc_start: 0.9080 (mm) cc_final: 0.8786 (mt) REVERT: G 266 ARG cc_start: 0.8666 (ttm-80) cc_final: 0.8450 (ttt180) REVERT: H 48 GLN cc_start: 0.8461 (OUTLIER) cc_final: 0.8182 (mt0) REVERT: H 68 ASN cc_start: 0.8144 (t0) cc_final: 0.7931 (t0) REVERT: H 207 LYS cc_start: 0.8620 (tppp) cc_final: 0.8415 (mttp) REVERT: H 294 GLU cc_start: 0.8557 (mt-10) cc_final: 0.8288 (mt-10) REVERT: H 312 ASN cc_start: 0.8656 (OUTLIER) cc_final: 0.8443 (m110) REVERT: I 48 GLN cc_start: 0.8381 (OUTLIER) cc_final: 0.8135 (mt0) REVERT: I 157 MET cc_start: 0.8980 (ttp) cc_final: 0.8727 (ttm) REVERT: J 80 MET cc_start: 0.8920 (ptt) cc_final: 0.8630 (ptt) REVERT: J 364 MET cc_start: 0.8611 (ptp) cc_final: 0.8390 (ptm) REVERT: K 48 GLN cc_start: 0.8385 (OUTLIER) cc_final: 0.8143 (mt0) REVERT: K 157 MET cc_start: 0.8982 (ttp) cc_final: 0.8734 (ttm) REVERT: L 80 MET cc_start: 0.8926 (ptt) cc_final: 0.8631 (ptt) REVERT: L 364 MET cc_start: 0.8599 (ptp) cc_final: 0.8386 (ptm) REVERT: M 199 ILE cc_start: 0.9087 (OUTLIER) cc_final: 0.8795 (mt) REVERT: M 266 ARG cc_start: 0.8676 (ttm-80) cc_final: 0.8454 (ttt180) REVERT: N 48 GLN cc_start: 0.8460 (OUTLIER) cc_final: 0.8184 (mt0) REVERT: N 294 GLU cc_start: 0.8543 (mt-10) cc_final: 0.8271 (mt-10) REVERT: N 312 ASN cc_start: 0.8656 (OUTLIER) cc_final: 0.8419 (m110) REVERT: N 362 MET cc_start: 0.8716 (mtp) cc_final: 0.8246 (mtp) REVERT: O 199 ILE cc_start: 0.9090 (OUTLIER) cc_final: 0.8800 (mt) REVERT: O 266 ARG cc_start: 0.8674 (ttm-80) cc_final: 0.8465 (ttt180) REVERT: P 48 GLN cc_start: 0.8458 (OUTLIER) cc_final: 0.8183 (mt0) REVERT: P 312 ASN cc_start: 0.8656 (OUTLIER) cc_final: 0.8421 (m110) REVERT: Q 48 GLN cc_start: 0.8383 (OUTLIER) cc_final: 0.8139 (mt0) REVERT: Q 157 MET cc_start: 0.8986 (ttp) cc_final: 0.8734 (ttm) REVERT: R 80 MET cc_start: 0.8925 (ptt) cc_final: 0.8629 (ptt) REVERT: R 364 MET cc_start: 0.8602 (ptp) cc_final: 0.8383 (ptm) REVERT: S 80 MET cc_start: 0.8918 (ptt) cc_final: 0.8623 (ptt) REVERT: S 364 MET cc_start: 0.8608 (ptp) cc_final: 0.8393 (ptm) REVERT: T 48 GLN cc_start: 0.8383 (OUTLIER) cc_final: 0.8139 (mt0) REVERT: T 157 MET cc_start: 0.8983 (ttp) cc_final: 0.8728 (ttm) REVERT: U 80 MET cc_start: 0.8923 (ptt) cc_final: 0.8637 (ptt) REVERT: U 364 MET cc_start: 0.8604 (ptp) cc_final: 0.8390 (ptm) REVERT: V 48 GLN cc_start: 0.8381 (OUTLIER) cc_final: 0.8138 (mt0) REVERT: V 157 MET cc_start: 0.8983 (ttp) cc_final: 0.8735 (ttm) REVERT: W 48 GLN cc_start: 0.8451 (OUTLIER) cc_final: 0.8181 (mt0) REVERT: W 312 ASN cc_start: 0.8658 (OUTLIER) cc_final: 0.8424 (m110) REVERT: W 362 MET cc_start: 0.8722 (mtp) cc_final: 0.8248 (mtp) REVERT: X 199 ILE cc_start: 0.9082 (mm) cc_final: 0.8792 (mt) REVERT: X 266 ARG cc_start: 0.8674 (ttm-80) cc_final: 0.8467 (ttt180) REVERT: Y 48 GLN cc_start: 0.8359 (OUTLIER) cc_final: 0.8130 (mt0) REVERT: Y 68 ASN cc_start: 0.8072 (t0) cc_final: 0.7870 (t0) REVERT: Y 294 GLU cc_start: 0.8560 (mt-10) cc_final: 0.8279 (mt-10) REVERT: Y 312 ASN cc_start: 0.8654 (OUTLIER) cc_final: 0.8419 (m110) REVERT: Y 362 MET cc_start: 0.8714 (mtp) cc_final: 0.8253 (mtp) REVERT: Z 199 ILE cc_start: 0.9090 (mm) cc_final: 0.8800 (mt) REVERT: Z 266 ARG cc_start: 0.8669 (ttm-80) cc_final: 0.8460 (ttt180) REVERT: 1 207 LYS cc_start: 0.8427 (tttp) cc_final: 0.8163 (mtpp) REVERT: 2 207 LYS cc_start: 0.8436 (tttp) cc_final: 0.8162 (mtpp) REVERT: 3 207 LYS cc_start: 0.8439 (tttp) cc_final: 0.8160 (mtpp) REVERT: 4 207 LYS cc_start: 0.8427 (tttp) cc_final: 0.8157 (mtpp) REVERT: 5 207 LYS cc_start: 0.8441 (tttp) cc_final: 0.8169 (mtpp) REVERT: 6 207 LYS cc_start: 0.8440 (tttp) cc_final: 0.8166 (mtpp) REVERT: a 48 GLN cc_start: 0.8384 (OUTLIER) cc_final: 0.8140 (mt0) REVERT: a 157 MET cc_start: 0.8984 (ttp) cc_final: 0.8729 (ttm) REVERT: b 199 ILE cc_start: 0.9082 (OUTLIER) cc_final: 0.8782 (mt) REVERT: b 266 ARG cc_start: 0.8672 (ttm-80) cc_final: 0.8466 (ttt180) REVERT: c 48 GLN cc_start: 0.8355 (OUTLIER) cc_final: 0.8122 (mt0) REVERT: c 207 LYS cc_start: 0.8609 (tppp) cc_final: 0.8395 (mttp) REVERT: c 312 ASN cc_start: 0.8660 (OUTLIER) cc_final: 0.8427 (m110) REVERT: d 48 GLN cc_start: 0.8362 (OUTLIER) cc_final: 0.8113 (mt0) REVERT: d 312 ASN cc_start: 0.8647 (OUTLIER) cc_final: 0.8434 (m110) REVERT: e 48 GLN cc_start: 0.8468 (OUTLIER) cc_final: 0.8215 (mt0) REVERT: e 68 ASN cc_start: 0.8125 (t0) cc_final: 0.7903 (t0) REVERT: e 294 GLU cc_start: 0.8515 (mt-10) cc_final: 0.8239 (mt-10) REVERT: e 312 ASN cc_start: 0.8632 (OUTLIER) cc_final: 0.8401 (m110) REVERT: f 199 ILE cc_start: 0.9075 (mm) cc_final: 0.8775 (mt) REVERT: f 266 ARG cc_start: 0.8665 (ttm-80) cc_final: 0.8458 (ttt180) REVERT: g 48 GLN cc_start: 0.8382 (OUTLIER) cc_final: 0.8146 (mt0) REVERT: g 157 MET cc_start: 0.8983 (ttp) cc_final: 0.8732 (ttm) REVERT: h 207 LYS cc_start: 0.8422 (tttp) cc_final: 0.8159 (mtpp) REVERT: i 199 ILE cc_start: 0.9076 (mm) cc_final: 0.8777 (mt) REVERT: i 266 ARG cc_start: 0.8665 (ttm-80) cc_final: 0.8462 (ttt180) REVERT: j 48 GLN cc_start: 0.8379 (OUTLIER) cc_final: 0.8135 (mt0) REVERT: j 157 MET cc_start: 0.8981 (ttp) cc_final: 0.8727 (ttm) REVERT: k 80 MET cc_start: 0.8922 (ptt) cc_final: 0.8634 (ptt) REVERT: k 364 MET cc_start: 0.8613 (ptp) cc_final: 0.8388 (ptm) REVERT: l 80 MET cc_start: 0.8925 (ptt) cc_final: 0.8627 (ptt) REVERT: l 364 MET cc_start: 0.8603 (ptp) cc_final: 0.8386 (ptm) REVERT: m 80 MET cc_start: 0.8911 (ptt) cc_final: 0.8614 (ptt) REVERT: m 364 MET cc_start: 0.8604 (ptp) cc_final: 0.8393 (ptm) REVERT: n 199 ILE cc_start: 0.9090 (OUTLIER) cc_final: 0.8803 (mt) REVERT: n 266 ARG cc_start: 0.8671 (ttm-80) cc_final: 0.8455 (ttt180) REVERT: o 48 GLN cc_start: 0.8382 (OUTLIER) cc_final: 0.8135 (mt0) REVERT: o 157 MET cc_start: 0.8987 (ttp) cc_final: 0.8731 (ttm) REVERT: p 207 LYS cc_start: 0.8425 (tttp) cc_final: 0.8158 (mtpp) REVERT: q 199 ILE cc_start: 0.9088 (mm) cc_final: 0.8797 (mt) REVERT: q 266 ARG cc_start: 0.8674 (ttm-80) cc_final: 0.8463 (ttt180) REVERT: r 48 GLN cc_start: 0.8389 (OUTLIER) cc_final: 0.8143 (mt0) REVERT: r 157 MET cc_start: 0.8983 (ttp) cc_final: 0.8736 (ttm) REVERT: s 207 LYS cc_start: 0.8427 (tttp) cc_final: 0.8163 (mtpp) REVERT: t 80 MET cc_start: 0.8930 (ptt) cc_final: 0.8637 (ptt) REVERT: t 364 MET cc_start: 0.8610 (ptp) cc_final: 0.8395 (ptm) REVERT: u 80 MET cc_start: 0.8930 (ptt) cc_final: 0.8634 (ptt) REVERT: u 364 MET cc_start: 0.8610 (ptp) cc_final: 0.8396 (ptm) REVERT: v 80 MET cc_start: 0.8928 (ptt) cc_final: 0.8634 (ptt) REVERT: v 364 MET cc_start: 0.8612 (ptp) cc_final: 0.8395 (ptm) REVERT: w 58 VAL cc_start: 0.9191 (p) cc_final: 0.8882 (t) REVERT: w 207 LYS cc_start: 0.8427 (tttp) cc_final: 0.8160 (mtpp) REVERT: x 48 GLN cc_start: 0.8378 (OUTLIER) cc_final: 0.8134 (mt0) REVERT: x 157 MET cc_start: 0.8984 (ttp) cc_final: 0.8728 (ttm) REVERT: y 48 GLN cc_start: 0.8460 (OUTLIER) cc_final: 0.8186 (mt0) REVERT: y 68 ASN cc_start: 0.8138 (t0) cc_final: 0.7918 (t0) REVERT: y 207 LYS cc_start: 0.8618 (tppp) cc_final: 0.8417 (mttp) REVERT: y 294 GLU cc_start: 0.8564 (mt-10) cc_final: 0.8294 (mt-10) REVERT: y 312 ASN cc_start: 0.8652 (OUTLIER) cc_final: 0.8439 (m110) REVERT: y 362 MET cc_start: 0.8717 (mtp) cc_final: 0.8256 (mtp) REVERT: z 48 GLN cc_start: 0.8456 (OUTLIER) cc_final: 0.8182 (mt0) REVERT: z 312 ASN cc_start: 0.8656 (OUTLIER) cc_final: 0.8443 (m110) REVERT: z 362 MET cc_start: 0.8718 (mtp) cc_final: 0.8248 (mtp) REVERT: 7 48 GLN cc_start: 0.8358 (OUTLIER) cc_final: 0.8125 (mt0) REVERT: 7 294 GLU cc_start: 0.8559 (mt-10) cc_final: 0.8272 (mt-10) REVERT: 7 312 ASN cc_start: 0.8661 (OUTLIER) cc_final: 0.8429 (m110) REVERT: 7 362 MET cc_start: 0.8721 (mtp) cc_final: 0.8248 (mtp) REVERT: 8 199 ILE cc_start: 0.9087 (OUTLIER) cc_final: 0.8799 (mt) REVERT: 8 266 ARG cc_start: 0.8674 (ttm-80) cc_final: 0.8463 (ttt180) outliers start: 494 outliers final: 228 residues processed: 3413 average time/residue: 2.1489 time to fit residues: 10995.1619 Evaluate side-chains 2747 residues out of total 16980 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 269 poor density : 2478 time to evaluate : 13.193 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 101 LEU Chi-restraints excluded: chain A residue 124 VAL Chi-restraints excluded: chain A residue 174 THR Chi-restraints excluded: chain A residue 239 VAL Chi-restraints excluded: chain B residue 101 LEU Chi-restraints excluded: chain B residue 174 THR Chi-restraints excluded: chain B residue 199 ILE Chi-restraints excluded: chain B residue 239 VAL Chi-restraints excluded: chain C residue 48 GLN Chi-restraints excluded: chain C residue 51 ASP Chi-restraints excluded: chain C residue 174 THR Chi-restraints excluded: chain C residue 180 VAL Chi-restraints excluded: chain C residue 239 VAL Chi-restraints excluded: chain D residue 48 GLN Chi-restraints excluded: chain D residue 124 VAL Chi-restraints excluded: chain D residue 129 SER Chi-restraints excluded: chain D residue 221 SER Chi-restraints excluded: chain D residue 239 VAL Chi-restraints excluded: chain D residue 312 ASN Chi-restraints excluded: chain E residue 101 LEU Chi-restraints excluded: chain E residue 124 VAL Chi-restraints excluded: chain E residue 239 VAL Chi-restraints excluded: chain F residue 101 LEU Chi-restraints excluded: chain F residue 124 VAL Chi-restraints excluded: chain F residue 174 THR Chi-restraints excluded: chain F residue 239 VAL Chi-restraints excluded: chain G residue 101 LEU Chi-restraints excluded: chain G residue 124 VAL Chi-restraints excluded: chain G residue 239 VAL Chi-restraints excluded: chain H residue 48 GLN Chi-restraints excluded: chain H residue 124 VAL Chi-restraints excluded: chain H residue 129 SER Chi-restraints excluded: chain H residue 221 SER Chi-restraints excluded: chain H residue 239 VAL Chi-restraints excluded: chain H residue 312 ASN Chi-restraints excluded: chain I residue 48 GLN Chi-restraints excluded: chain I residue 51 ASP Chi-restraints excluded: chain I residue 174 THR Chi-restraints excluded: chain I residue 180 VAL Chi-restraints excluded: chain I residue 239 VAL Chi-restraints excluded: chain J residue 101 LEU Chi-restraints excluded: chain J residue 174 THR Chi-restraints excluded: chain J residue 199 ILE Chi-restraints excluded: chain J residue 239 VAL Chi-restraints excluded: chain K residue 48 GLN Chi-restraints excluded: chain K residue 124 VAL Chi-restraints excluded: chain K residue 174 THR Chi-restraints excluded: chain K residue 180 VAL Chi-restraints excluded: chain K residue 239 VAL Chi-restraints excluded: chain L residue 101 LEU Chi-restraints excluded: chain L residue 174 THR Chi-restraints excluded: chain L residue 199 ILE Chi-restraints excluded: chain L residue 239 VAL Chi-restraints excluded: chain M residue 101 LEU Chi-restraints excluded: chain M residue 124 VAL Chi-restraints excluded: chain M residue 199 ILE Chi-restraints excluded: chain M residue 239 VAL Chi-restraints excluded: chain N residue 48 GLN Chi-restraints excluded: chain N residue 124 VAL Chi-restraints excluded: chain N residue 129 SER Chi-restraints excluded: chain N residue 221 SER Chi-restraints excluded: chain N residue 239 VAL Chi-restraints excluded: chain N residue 312 ASN Chi-restraints excluded: chain O residue 101 LEU Chi-restraints excluded: chain O residue 124 VAL Chi-restraints excluded: chain O residue 199 ILE Chi-restraints excluded: chain O residue 239 VAL Chi-restraints excluded: chain P residue 48 GLN Chi-restraints excluded: chain P residue 124 VAL Chi-restraints excluded: chain P residue 129 SER Chi-restraints excluded: chain P residue 221 SER Chi-restraints excluded: chain P residue 239 VAL Chi-restraints excluded: chain P residue 312 ASN Chi-restraints excluded: chain Q residue 48 GLN Chi-restraints excluded: chain Q residue 51 ASP Chi-restraints excluded: chain Q residue 174 THR Chi-restraints excluded: chain Q residue 180 VAL Chi-restraints excluded: chain Q residue 239 VAL Chi-restraints excluded: chain R residue 101 LEU Chi-restraints excluded: chain R residue 174 THR Chi-restraints excluded: chain R residue 199 ILE Chi-restraints excluded: chain R residue 239 VAL Chi-restraints excluded: chain S residue 101 LEU Chi-restraints excluded: chain S residue 174 THR Chi-restraints excluded: chain S residue 199 ILE Chi-restraints excluded: chain S residue 239 VAL Chi-restraints excluded: chain T residue 48 GLN Chi-restraints excluded: chain T residue 51 ASP Chi-restraints excluded: chain T residue 124 VAL Chi-restraints excluded: chain T residue 174 THR Chi-restraints excluded: chain T residue 180 VAL Chi-restraints excluded: chain T residue 239 VAL Chi-restraints excluded: chain U residue 101 LEU Chi-restraints excluded: chain U residue 174 THR Chi-restraints excluded: chain U residue 199 ILE Chi-restraints excluded: chain U residue 239 VAL Chi-restraints excluded: chain V residue 48 GLN Chi-restraints excluded: chain V residue 51 ASP Chi-restraints excluded: chain V residue 174 THR Chi-restraints excluded: chain V residue 180 VAL Chi-restraints excluded: chain V residue 239 VAL Chi-restraints excluded: chain W residue 48 GLN Chi-restraints excluded: chain W residue 124 VAL Chi-restraints excluded: chain W residue 129 SER Chi-restraints excluded: chain W residue 221 SER Chi-restraints excluded: chain W residue 239 VAL Chi-restraints excluded: chain W residue 312 ASN Chi-restraints excluded: chain X residue 101 LEU Chi-restraints excluded: chain X residue 124 VAL Chi-restraints excluded: chain X residue 239 VAL Chi-restraints excluded: chain Y residue 48 GLN Chi-restraints excluded: chain Y residue 124 VAL Chi-restraints excluded: chain Y residue 129 SER Chi-restraints excluded: chain Y residue 221 SER Chi-restraints excluded: chain Y residue 239 VAL Chi-restraints excluded: chain Y residue 312 ASN Chi-restraints excluded: chain Z residue 101 LEU Chi-restraints excluded: chain Z residue 124 VAL Chi-restraints excluded: chain Z residue 239 VAL Chi-restraints excluded: chain 1 residue 101 LEU Chi-restraints excluded: chain 1 residue 124 VAL Chi-restraints excluded: chain 1 residue 174 THR Chi-restraints excluded: chain 1 residue 239 VAL Chi-restraints excluded: chain 2 residue 101 LEU Chi-restraints excluded: chain 2 residue 124 VAL Chi-restraints excluded: chain 2 residue 174 THR Chi-restraints excluded: chain 2 residue 239 VAL Chi-restraints excluded: chain 3 residue 101 LEU Chi-restraints excluded: chain 3 residue 124 VAL Chi-restraints excluded: chain 3 residue 174 THR Chi-restraints excluded: chain 3 residue 239 VAL Chi-restraints excluded: chain 4 residue 101 LEU Chi-restraints excluded: chain 4 residue 124 VAL Chi-restraints excluded: chain 4 residue 174 THR Chi-restraints excluded: chain 4 residue 239 VAL Chi-restraints excluded: chain 5 residue 101 LEU Chi-restraints excluded: chain 5 residue 124 VAL Chi-restraints excluded: chain 5 residue 174 THR Chi-restraints excluded: chain 5 residue 239 VAL Chi-restraints excluded: chain 6 residue 101 LEU Chi-restraints excluded: chain 6 residue 124 VAL Chi-restraints excluded: chain 6 residue 174 THR Chi-restraints excluded: chain 6 residue 239 VAL Chi-restraints excluded: chain a residue 48 GLN Chi-restraints excluded: chain a residue 174 THR Chi-restraints excluded: chain a residue 180 VAL Chi-restraints excluded: chain a residue 239 VAL Chi-restraints excluded: chain b residue 101 LEU Chi-restraints excluded: chain b residue 124 VAL Chi-restraints excluded: chain b residue 199 ILE Chi-restraints excluded: chain b residue 239 VAL Chi-restraints excluded: chain c residue 48 GLN Chi-restraints excluded: chain c residue 124 VAL Chi-restraints excluded: chain c residue 129 SER Chi-restraints excluded: chain c residue 221 SER Chi-restraints excluded: chain c residue 239 VAL Chi-restraints excluded: chain c residue 312 ASN Chi-restraints excluded: chain d residue 48 GLN Chi-restraints excluded: chain d residue 124 VAL Chi-restraints excluded: chain d residue 129 SER Chi-restraints excluded: chain d residue 221 SER Chi-restraints excluded: chain d residue 239 VAL Chi-restraints excluded: chain d residue 312 ASN Chi-restraints excluded: chain e residue 48 GLN Chi-restraints excluded: chain e residue 124 VAL Chi-restraints excluded: chain e residue 129 SER Chi-restraints excluded: chain e residue 239 VAL Chi-restraints excluded: chain e residue 312 ASN Chi-restraints excluded: chain f residue 101 LEU Chi-restraints excluded: chain f residue 124 VAL Chi-restraints excluded: chain f residue 239 VAL Chi-restraints excluded: chain g residue 48 GLN Chi-restraints excluded: chain g residue 124 VAL Chi-restraints excluded: chain g residue 174 THR Chi-restraints excluded: chain g residue 180 VAL Chi-restraints excluded: chain g residue 239 VAL Chi-restraints excluded: chain h residue 101 LEU Chi-restraints excluded: chain h residue 124 VAL Chi-restraints excluded: chain h residue 174 THR Chi-restraints excluded: chain h residue 239 VAL Chi-restraints excluded: chain i residue 101 LEU Chi-restraints excluded: chain i residue 124 VAL Chi-restraints excluded: chain i residue 239 VAL Chi-restraints excluded: chain j residue 48 GLN Chi-restraints excluded: chain j residue 51 ASP Chi-restraints excluded: chain j residue 174 THR Chi-restraints excluded: chain j residue 180 VAL Chi-restraints excluded: chain j residue 239 VAL Chi-restraints excluded: chain k residue 101 LEU Chi-restraints excluded: chain k residue 174 THR Chi-restraints excluded: chain k residue 199 ILE Chi-restraints excluded: chain k residue 239 VAL Chi-restraints excluded: chain l residue 101 LEU Chi-restraints excluded: chain l residue 174 THR Chi-restraints excluded: chain l residue 199 ILE Chi-restraints excluded: chain l residue 239 VAL Chi-restraints excluded: chain m residue 101 LEU Chi-restraints excluded: chain m residue 174 THR Chi-restraints excluded: chain m residue 199 ILE Chi-restraints excluded: chain m residue 239 VAL Chi-restraints excluded: chain n residue 101 LEU Chi-restraints excluded: chain n residue 124 VAL Chi-restraints excluded: chain n residue 199 ILE Chi-restraints excluded: chain n residue 239 VAL Chi-restraints excluded: chain o residue 48 GLN Chi-restraints excluded: chain o residue 51 ASP Chi-restraints excluded: chain o residue 174 THR Chi-restraints excluded: chain o residue 180 VAL Chi-restraints excluded: chain o residue 239 VAL Chi-restraints excluded: chain p residue 101 LEU Chi-restraints excluded: chain p residue 124 VAL Chi-restraints excluded: chain p residue 174 THR Chi-restraints excluded: chain p residue 239 VAL Chi-restraints excluded: chain q residue 101 LEU Chi-restraints excluded: chain q residue 124 VAL Chi-restraints excluded: chain q residue 239 VAL Chi-restraints excluded: chain r residue 48 GLN Chi-restraints excluded: chain r residue 124 VAL Chi-restraints excluded: chain r residue 174 THR Chi-restraints excluded: chain r residue 180 VAL Chi-restraints excluded: chain r residue 239 VAL Chi-restraints excluded: chain s residue 101 LEU Chi-restraints excluded: chain s residue 124 VAL Chi-restraints excluded: chain s residue 174 THR Chi-restraints excluded: chain s residue 239 VAL Chi-restraints excluded: chain t residue 101 LEU Chi-restraints excluded: chain t residue 174 THR Chi-restraints excluded: chain t residue 199 ILE Chi-restraints excluded: chain t residue 239 VAL Chi-restraints excluded: chain u residue 101 LEU Chi-restraints excluded: chain u residue 174 THR Chi-restraints excluded: chain u residue 199 ILE Chi-restraints excluded: chain u residue 239 VAL Chi-restraints excluded: chain v residue 101 LEU Chi-restraints excluded: chain v residue 174 THR Chi-restraints excluded: chain v residue 199 ILE Chi-restraints excluded: chain v residue 239 VAL Chi-restraints excluded: chain w residue 101 LEU Chi-restraints excluded: chain w residue 124 VAL Chi-restraints excluded: chain w residue 174 THR Chi-restraints excluded: chain w residue 239 VAL Chi-restraints excluded: chain x residue 48 GLN Chi-restraints excluded: chain x residue 51 ASP Chi-restraints excluded: chain x residue 124 VAL Chi-restraints excluded: chain x residue 174 THR Chi-restraints excluded: chain x residue 180 VAL Chi-restraints excluded: chain x residue 239 VAL Chi-restraints excluded: chain y residue 48 GLN Chi-restraints excluded: chain y residue 124 VAL Chi-restraints excluded: chain y residue 129 SER Chi-restraints excluded: chain y residue 221 SER Chi-restraints excluded: chain y residue 239 VAL Chi-restraints excluded: chain y residue 312 ASN Chi-restraints excluded: chain z residue 48 GLN Chi-restraints excluded: chain z residue 124 VAL Chi-restraints excluded: chain z residue 129 SER Chi-restraints excluded: chain z residue 221 SER Chi-restraints excluded: chain z residue 239 VAL Chi-restraints excluded: chain z residue 312 ASN Chi-restraints excluded: chain 7 residue 48 GLN Chi-restraints excluded: chain 7 residue 124 VAL Chi-restraints excluded: chain 7 residue 129 SER Chi-restraints excluded: chain 7 residue 221 SER Chi-restraints excluded: chain 7 residue 239 VAL Chi-restraints excluded: chain 7 residue 312 ASN Chi-restraints excluded: chain 8 residue 101 LEU Chi-restraints excluded: chain 8 residue 124 VAL Chi-restraints excluded: chain 8 residue 199 ILE Chi-restraints excluded: chain 8 residue 239 VAL Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1860 random chunks: chunk 938 optimal weight: 3.9990 chunk 524 optimal weight: 3.9990 chunk 1405 optimal weight: 5.9990 chunk 1150 optimal weight: 3.9990 chunk 465 optimal weight: 7.9990 chunk 1692 optimal weight: 8.9990 chunk 1827 optimal weight: 0.9990 chunk 1507 optimal weight: 6.9990 chunk 1678 optimal weight: 0.7980 chunk 576 optimal weight: 2.9990 chunk 1357 optimal weight: 1.9990 overall best weight: 2.1588 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 152 ASN ** A 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 317 ASN A 319 ASN B 152 ASN ** B 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 222 HIS B 259 ASN B 317 ASN C 152 ASN ** C 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 259 ASN ** C 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 317 ASN D 152 ASN ** D 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 259 ASN D 317 ASN D 328 GLN E 152 ASN E 213 GLN ** E 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 259 ASN F 152 ASN ** F 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 317 ASN F 319 ASN G 152 ASN ** G 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 259 ASN H 152 ASN ** H 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 259 ASN H 317 ASN H 328 GLN I 152 ASN ** I 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 259 ASN ** I 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 317 ASN J 152 ASN ** J 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 222 HIS J 259 ASN J 317 ASN K 152 ASN ** K 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 259 ASN ** K 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 317 ASN L 152 ASN ** L 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 222 HIS L 259 ASN L 317 ASN M 152 ASN ** M 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 259 ASN N 152 ASN ** N 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 259 ASN N 317 ASN N 328 GLN O 152 ASN O 213 GLN ** O 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 259 ASN P 152 ASN ** P 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 259 ASN P 317 ASN P 328 GLN Q 152 ASN ** Q 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 259 ASN ** Q 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 152 ASN ** R 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 222 HIS R 259 ASN R 317 ASN S 152 ASN ** S 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 222 HIS S 259 ASN S 317 ASN T 152 ASN ** T 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 259 ASN ** T 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 152 ASN ** U 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 222 HIS U 259 ASN U 317 ASN V 152 ASN ** V 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 259 ASN ** V 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 317 ASN W 152 ASN ** W 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 259 ASN W 317 ASN W 328 GLN X 152 ASN ** X 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 259 ASN Y 152 ASN ** Y 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 259 ASN Y 317 ASN Y 328 GLN Z 152 ASN Z 213 GLN ** Z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 259 ASN 1 152 ASN ** 1 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 317 ASN 1 319 ASN 2 152 ASN ** 2 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 317 ASN 2 319 ASN 3 152 ASN ** 3 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 317 ASN 3 319 ASN 4 152 ASN ** 4 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 317 ASN 4 319 ASN 5 152 ASN ** 5 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 317 ASN 5 319 ASN 6 152 ASN ** 6 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 317 ASN 6 319 ASN a 152 ASN ** a 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 259 ASN ** a 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 317 ASN b 152 ASN b 213 GLN ** b 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 259 ASN c 152 ASN ** c 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 259 ASN c 317 ASN c 328 GLN d 152 ASN ** d 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 259 ASN d 317 ASN d 328 GLN e 152 ASN ** e 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 317 ASN e 328 GLN f 152 ASN f 213 GLN ** f 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 259 ASN g 152 ASN ** g 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 259 ASN ** g 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 152 ASN ** h 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 317 ASN h 319 ASN i 152 ASN i 213 GLN ** i 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** i 259 ASN j 152 ASN ** j 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 259 ASN ** j 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 317 ASN k 152 ASN ** k 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 222 HIS k 259 ASN k 317 ASN l 152 ASN ** l 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 222 HIS l 259 ASN l 317 ASN m 152 ASN ** m 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 222 HIS m 259 ASN m 317 ASN n 152 ASN n 213 GLN ** n 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 259 ASN o 152 ASN ** o 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 259 ASN ** o 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 317 ASN p 152 ASN ** p 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 317 ASN p 319 ASN q 152 ASN q 213 GLN ** q 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 259 ASN r 152 ASN ** r 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 259 ASN ** r 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 317 ASN s 152 ASN ** s 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 317 ASN s 319 ASN t 152 ASN ** t 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 222 HIS t 259 ASN t 317 ASN u 152 ASN ** u 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 222 HIS u 259 ASN u 317 ASN v 152 ASN ** v 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 222 HIS v 259 ASN v 317 ASN w 152 ASN ** w 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 317 ASN w 319 ASN x 152 ASN ** x 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 259 ASN ** x 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 152 ASN ** y 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 259 ASN y 317 ASN y 328 GLN z 152 ASN ** z 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 259 ASN z 317 ASN z 328 GLN 7 152 ASN ** 7 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 259 ASN 7 317 ASN 7 328 GLN 8 152 ASN ** 8 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 259 ASN Total number of N/Q/H flips: 195 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8487 moved from start: 0.2382 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.047 155760 Z= 0.342 Angle : 0.621 5.446 211920 Z= 0.338 Chirality : 0.050 0.181 23220 Planarity : 0.004 0.040 27240 Dihedral : 6.481 54.150 20640 Min Nonbonded Distance : 2.004 Molprobity Statistics. All-atom Clashscore : 13.76 Ramachandran Plot: Outliers : 0.32 % Allowed : 5.19 % Favored : 94.49 % Rotamer: Outliers : 4.85 % Allowed : 12.51 % Favored : 82.64 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.19 (0.06), residues: 18780 helix: -3.27 (0.14), residues: 840 sheet: -0.26 (0.06), residues: 6180 loop : -0.88 (0.06), residues: 11760 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.024 0.002 TRP V 211 HIS 0.010 0.002 HIS 7 159 PHE 0.018 0.003 PHE i 301 TYR 0.016 0.002 TYR L 210 ARG 0.008 0.001 ARG D 61 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 37560 Ramachandran restraints generated. 18780 Oldfield, 0 Emsley, 18780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 37560 Ramachandran restraints generated. 18780 Oldfield, 0 Emsley, 18780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3403 residues out of total 16980 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 823 poor density : 2580 time to evaluate : 13.236 Fit side-chains REVERT: A 212 LYS cc_start: 0.8657 (OUTLIER) cc_final: 0.8416 (mttm) REVERT: B 80 MET cc_start: 0.9065 (ptt) cc_final: 0.8745 (ptt) REVERT: B 364 MET cc_start: 0.8616 (ptp) cc_final: 0.8407 (ptm) REVERT: C 48 GLN cc_start: 0.8499 (OUTLIER) cc_final: 0.8137 (mt0) REVERT: C 279 ARG cc_start: 0.8052 (mtm-85) cc_final: 0.7749 (mtp-110) REVERT: D 48 GLN cc_start: 0.8539 (OUTLIER) cc_final: 0.8256 (mt0) REVERT: D 312 ASN cc_start: 0.8692 (OUTLIER) cc_final: 0.8482 (m110) REVERT: E 123 LYS cc_start: 0.8299 (OUTLIER) cc_final: 0.8050 (ttpt) REVERT: E 199 ILE cc_start: 0.9156 (OUTLIER) cc_final: 0.8846 (mt) REVERT: F 212 LYS cc_start: 0.8652 (OUTLIER) cc_final: 0.8409 (mttm) REVERT: G 123 LYS cc_start: 0.8293 (OUTLIER) cc_final: 0.8043 (ttpt) REVERT: G 199 ILE cc_start: 0.9152 (OUTLIER) cc_final: 0.8840 (mt) REVERT: H 48 GLN cc_start: 0.8541 (OUTLIER) cc_final: 0.8254 (mt0) REVERT: H 294 GLU cc_start: 0.8658 (mt-10) cc_final: 0.8366 (mt-10) REVERT: H 312 ASN cc_start: 0.8685 (OUTLIER) cc_final: 0.8472 (m110) REVERT: I 48 GLN cc_start: 0.8495 (OUTLIER) cc_final: 0.8129 (mt0) REVERT: I 279 ARG cc_start: 0.8059 (mtm-85) cc_final: 0.7747 (mtp-110) REVERT: J 80 MET cc_start: 0.9067 (ptt) cc_final: 0.8746 (ptt) REVERT: J 364 MET cc_start: 0.8623 (ptp) cc_final: 0.8408 (ptm) REVERT: K 48 GLN cc_start: 0.8503 (OUTLIER) cc_final: 0.8176 (mt0) REVERT: K 279 ARG cc_start: 0.8053 (mtm-85) cc_final: 0.7746 (mtp-110) REVERT: L 80 MET cc_start: 0.9076 (ptt) cc_final: 0.8751 (ptt) REVERT: L 364 MET cc_start: 0.8612 (ptp) cc_final: 0.8403 (ptm) REVERT: M 123 LYS cc_start: 0.8295 (OUTLIER) cc_final: 0.8048 (ttpt) REVERT: M 199 ILE cc_start: 0.9147 (OUTLIER) cc_final: 0.8860 (mt) REVERT: N 48 GLN cc_start: 0.8540 (OUTLIER) cc_final: 0.8256 (mt0) REVERT: N 294 GLU cc_start: 0.8644 (mt-10) cc_final: 0.8347 (mt-10) REVERT: N 312 ASN cc_start: 0.8694 (OUTLIER) cc_final: 0.8484 (m110) REVERT: O 123 LYS cc_start: 0.8303 (OUTLIER) cc_final: 0.8055 (ttpt) REVERT: O 199 ILE cc_start: 0.9148 (OUTLIER) cc_final: 0.8863 (mt) REVERT: P 48 GLN cc_start: 0.8539 (OUTLIER) cc_final: 0.8257 (mt0) REVERT: P 312 ASN cc_start: 0.8692 (OUTLIER) cc_final: 0.8483 (m110) REVERT: Q 48 GLN cc_start: 0.8497 (OUTLIER) cc_final: 0.8136 (mt0) REVERT: Q 279 ARG cc_start: 0.8055 (mtm-85) cc_final: 0.7748 (mtp-110) REVERT: R 80 MET cc_start: 0.9074 (ptt) cc_final: 0.8748 (ptt) REVERT: R 364 MET cc_start: 0.8612 (ptp) cc_final: 0.8406 (ptm) REVERT: S 80 MET cc_start: 0.9062 (ptt) cc_final: 0.8741 (ptt) REVERT: S 364 MET cc_start: 0.8621 (ptp) cc_final: 0.8409 (ptm) REVERT: T 48 GLN cc_start: 0.8498 (OUTLIER) cc_final: 0.8133 (mt0) REVERT: T 279 ARG cc_start: 0.8054 (mtm-85) cc_final: 0.7745 (mtp-110) REVERT: U 80 MET cc_start: 0.9074 (ptt) cc_final: 0.8740 (ptt) REVERT: U 364 MET cc_start: 0.8622 (ptp) cc_final: 0.8408 (ptm) REVERT: V 48 GLN cc_start: 0.8497 (OUTLIER) cc_final: 0.8133 (mt0) REVERT: V 279 ARG cc_start: 0.8049 (mtm-85) cc_final: 0.7744 (mtp-110) REVERT: W 48 GLN cc_start: 0.8536 (OUTLIER) cc_final: 0.8255 (mt0) REVERT: W 312 ASN cc_start: 0.8692 (OUTLIER) cc_final: 0.8482 (m110) REVERT: X 123 LYS cc_start: 0.8310 (OUTLIER) cc_final: 0.8058 (ttpt) REVERT: X 199 ILE cc_start: 0.9150 (OUTLIER) cc_final: 0.8850 (mt) REVERT: Y 48 GLN cc_start: 0.8531 (OUTLIER) cc_final: 0.8242 (mt0) REVERT: Y 294 GLU cc_start: 0.8637 (mt-10) cc_final: 0.8348 (mt-10) REVERT: Y 312 ASN cc_start: 0.8688 (OUTLIER) cc_final: 0.8481 (m110) REVERT: Z 123 LYS cc_start: 0.8304 (OUTLIER) cc_final: 0.8051 (ttpt) REVERT: Z 199 ILE cc_start: 0.9157 (OUTLIER) cc_final: 0.8858 (mt) REVERT: 1 212 LYS cc_start: 0.8653 (OUTLIER) cc_final: 0.8409 (mttm) REVERT: 2 212 LYS cc_start: 0.8653 (OUTLIER) cc_final: 0.8409 (mttm) REVERT: 3 212 LYS cc_start: 0.8658 (OUTLIER) cc_final: 0.8415 (mttm) REVERT: 4 212 LYS cc_start: 0.8657 (OUTLIER) cc_final: 0.8414 (mttm) REVERT: 5 212 LYS cc_start: 0.8652 (OUTLIER) cc_final: 0.8412 (mttm) REVERT: 6 58 VAL cc_start: 0.9267 (p) cc_final: 0.8942 (t) REVERT: 6 212 LYS cc_start: 0.8651 (OUTLIER) cc_final: 0.8406 (mttm) REVERT: a 48 GLN cc_start: 0.8501 (OUTLIER) cc_final: 0.8169 (mt0) REVERT: a 279 ARG cc_start: 0.8061 (mtm-85) cc_final: 0.7740 (mtp-110) REVERT: b 123 LYS cc_start: 0.8303 (OUTLIER) cc_final: 0.8053 (ttpt) REVERT: b 199 ILE cc_start: 0.9148 (OUTLIER) cc_final: 0.8855 (mt) REVERT: c 48 GLN cc_start: 0.8515 (OUTLIER) cc_final: 0.8219 (mt0) REVERT: c 312 ASN cc_start: 0.8686 (OUTLIER) cc_final: 0.8476 (m110) REVERT: d 48 GLN cc_start: 0.8514 (OUTLIER) cc_final: 0.8242 (mt0) REVERT: e 48 GLN cc_start: 0.8621 (OUTLIER) cc_final: 0.8316 (mt0) REVERT: e 294 GLU cc_start: 0.8632 (mt-10) cc_final: 0.8351 (mt-10) REVERT: e 312 ASN cc_start: 0.8746 (OUTLIER) cc_final: 0.8513 (m110) REVERT: f 123 LYS cc_start: 0.8294 (OUTLIER) cc_final: 0.8045 (ttpt) REVERT: f 199 ILE cc_start: 0.9154 (OUTLIER) cc_final: 0.8844 (mt) REVERT: g 48 GLN cc_start: 0.8501 (OUTLIER) cc_final: 0.8180 (mt0) REVERT: g 279 ARG cc_start: 0.8061 (OUTLIER) cc_final: 0.7854 (mtp-110) REVERT: h 212 LYS cc_start: 0.8650 (OUTLIER) cc_final: 0.8402 (mttm) REVERT: i 123 LYS cc_start: 0.8292 (OUTLIER) cc_final: 0.8044 (ttpt) REVERT: i 199 ILE cc_start: 0.9151 (OUTLIER) cc_final: 0.8839 (mt) REVERT: j 48 GLN cc_start: 0.8496 (OUTLIER) cc_final: 0.8130 (mt0) REVERT: j 279 ARG cc_start: 0.8053 (mtm-85) cc_final: 0.7749 (mtp-110) REVERT: k 80 MET cc_start: 0.9068 (ptt) cc_final: 0.8748 (ptt) REVERT: k 286 LYS cc_start: 0.8635 (mppt) cc_final: 0.8371 (mttt) REVERT: k 364 MET cc_start: 0.8623 (ptp) cc_final: 0.8413 (ptm) REVERT: l 80 MET cc_start: 0.9073 (ptt) cc_final: 0.8742 (ptt) REVERT: l 364 MET cc_start: 0.8612 (ptp) cc_final: 0.8403 (ptm) REVERT: m 80 MET cc_start: 0.9061 (ptt) cc_final: 0.8748 (ptt) REVERT: m 364 MET cc_start: 0.8619 (ptp) cc_final: 0.8409 (ptm) REVERT: n 123 LYS cc_start: 0.8302 (OUTLIER) cc_final: 0.8047 (ttpt) REVERT: n 199 ILE cc_start: 0.9154 (OUTLIER) cc_final: 0.8865 (mt) REVERT: o 48 GLN cc_start: 0.8494 (OUTLIER) cc_final: 0.8128 (mt0) REVERT: o 279 ARG cc_start: 0.8058 (mtm-85) cc_final: 0.7746 (mtp-110) REVERT: p 58 VAL cc_start: 0.9267 (p) cc_final: 0.8942 (t) REVERT: p 212 LYS cc_start: 0.8654 (OUTLIER) cc_final: 0.8410 (mttm) REVERT: q 123 LYS cc_start: 0.8310 (OUTLIER) cc_final: 0.8060 (ttpt) REVERT: q 199 ILE cc_start: 0.9151 (OUTLIER) cc_final: 0.8851 (mt) REVERT: r 48 GLN cc_start: 0.8504 (OUTLIER) cc_final: 0.8177 (mt0) REVERT: r 279 ARG cc_start: 0.8050 (mtm-85) cc_final: 0.7744 (mtp-110) REVERT: s 212 LYS cc_start: 0.8651 (OUTLIER) cc_final: 0.8408 (mttm) REVERT: t 80 MET cc_start: 0.9080 (ptt) cc_final: 0.8744 (ptt) REVERT: t 364 MET cc_start: 0.8623 (ptp) cc_final: 0.8410 (ptm) REVERT: u 80 MET cc_start: 0.9074 (ptt) cc_final: 0.8750 (ptt) REVERT: u 364 MET cc_start: 0.8622 (ptp) cc_final: 0.8408 (ptm) REVERT: v 80 MET cc_start: 0.9079 (ptt) cc_final: 0.8741 (ptt) REVERT: v 364 MET cc_start: 0.8621 (ptp) cc_final: 0.8409 (ptm) REVERT: w 58 VAL cc_start: 0.9266 (p) cc_final: 0.8945 (t) REVERT: w 212 LYS cc_start: 0.8655 (OUTLIER) cc_final: 0.8410 (mttm) REVERT: x 48 GLN cc_start: 0.8492 (OUTLIER) cc_final: 0.8125 (mt0) REVERT: x 279 ARG cc_start: 0.8060 (mtm-85) cc_final: 0.7746 (mtp-110) REVERT: y 48 GLN cc_start: 0.8542 (OUTLIER) cc_final: 0.8259 (mt0) REVERT: y 294 GLU cc_start: 0.8652 (mt-10) cc_final: 0.8359 (mt-10) REVERT: y 312 ASN cc_start: 0.8688 (OUTLIER) cc_final: 0.8477 (m110) REVERT: z 48 GLN cc_start: 0.8540 (OUTLIER) cc_final: 0.8255 (mt0) REVERT: z 312 ASN cc_start: 0.8687 (OUTLIER) cc_final: 0.8474 (m110) REVERT: 7 48 GLN cc_start: 0.8526 (OUTLIER) cc_final: 0.8239 (mt0) REVERT: 7 294 GLU cc_start: 0.8632 (mt-10) cc_final: 0.8338 (mt-10) REVERT: 7 312 ASN cc_start: 0.8693 (OUTLIER) cc_final: 0.8484 (m110) REVERT: 7 364 MET cc_start: 0.8624 (ptp) cc_final: 0.8364 (ptm) REVERT: 8 123 LYS cc_start: 0.8312 (OUTLIER) cc_final: 0.8059 (ttpt) REVERT: 8 199 ILE cc_start: 0.9147 (OUTLIER) cc_final: 0.8866 (mt) outliers start: 823 outliers final: 380 residues processed: 3103 average time/residue: 2.1036 time to fit residues: 9534.1791 Evaluate side-chains 2809 residues out of total 16980 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 452 poor density : 2357 time to evaluate : 13.301 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 80 MET Chi-restraints excluded: chain A residue 101 LEU Chi-restraints excluded: chain A residue 124 VAL Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 174 THR Chi-restraints excluded: chain A residue 212 LYS Chi-restraints excluded: chain A residue 239 VAL Chi-restraints excluded: chain A residue 274 SER Chi-restraints excluded: chain B residue 101 LEU Chi-restraints excluded: chain B residue 124 VAL Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 174 THR Chi-restraints excluded: chain B residue 199 ILE Chi-restraints excluded: chain B residue 239 VAL Chi-restraints excluded: chain C residue 48 GLN Chi-restraints excluded: chain C residue 51 ASP Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 174 THR Chi-restraints excluded: chain C residue 180 VAL Chi-restraints excluded: chain C residue 239 VAL Chi-restraints excluded: chain C residue 274 SER Chi-restraints excluded: chain D residue 48 GLN Chi-restraints excluded: chain D residue 80 MET Chi-restraints excluded: chain D residue 101 LEU Chi-restraints excluded: chain D residue 124 VAL Chi-restraints excluded: chain D residue 129 SER Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 221 SER Chi-restraints excluded: chain D residue 239 VAL Chi-restraints excluded: chain D residue 312 ASN Chi-restraints excluded: chain D residue 333 LEU Chi-restraints excluded: chain D residue 361 LYS Chi-restraints excluded: chain E residue 80 MET Chi-restraints excluded: chain E residue 101 LEU Chi-restraints excluded: chain E residue 123 LYS Chi-restraints excluded: chain E residue 124 VAL Chi-restraints excluded: chain E residue 199 ILE Chi-restraints excluded: chain E residue 239 VAL Chi-restraints excluded: chain F residue 80 MET Chi-restraints excluded: chain F residue 101 LEU Chi-restraints excluded: chain F residue 124 VAL Chi-restraints excluded: chain F residue 149 THR Chi-restraints excluded: chain F residue 174 THR Chi-restraints excluded: chain F residue 212 LYS Chi-restraints excluded: chain F residue 239 VAL Chi-restraints excluded: chain F residue 274 SER Chi-restraints excluded: chain G residue 80 MET Chi-restraints excluded: chain G residue 101 LEU Chi-restraints excluded: chain G residue 123 LYS Chi-restraints excluded: chain G residue 124 VAL Chi-restraints excluded: chain G residue 199 ILE Chi-restraints excluded: chain G residue 239 VAL Chi-restraints excluded: chain H residue 48 GLN Chi-restraints excluded: chain H residue 68 ASN Chi-restraints excluded: chain H residue 80 MET Chi-restraints excluded: chain H residue 101 LEU Chi-restraints excluded: chain H residue 124 VAL Chi-restraints excluded: chain H residue 129 SER Chi-restraints excluded: chain H residue 149 THR Chi-restraints excluded: chain H residue 221 SER Chi-restraints excluded: chain H residue 239 VAL Chi-restraints excluded: chain H residue 312 ASN Chi-restraints excluded: chain H residue 333 LEU Chi-restraints excluded: chain H residue 361 LYS Chi-restraints excluded: chain I residue 48 GLN Chi-restraints excluded: chain I residue 51 ASP Chi-restraints excluded: chain I residue 149 THR Chi-restraints excluded: chain I residue 174 THR Chi-restraints excluded: chain I residue 180 VAL Chi-restraints excluded: chain I residue 239 VAL Chi-restraints excluded: chain I residue 274 SER Chi-restraints excluded: chain J residue 101 LEU Chi-restraints excluded: chain J residue 124 VAL Chi-restraints excluded: chain J residue 149 THR Chi-restraints excluded: chain J residue 174 THR Chi-restraints excluded: chain J residue 199 ILE Chi-restraints excluded: chain J residue 239 VAL Chi-restraints excluded: chain K residue 48 GLN Chi-restraints excluded: chain K residue 149 THR Chi-restraints excluded: chain K residue 174 THR Chi-restraints excluded: chain K residue 180 VAL Chi-restraints excluded: chain K residue 239 VAL Chi-restraints excluded: chain K residue 274 SER Chi-restraints excluded: chain L residue 101 LEU Chi-restraints excluded: chain L residue 124 VAL Chi-restraints excluded: chain L residue 149 THR Chi-restraints excluded: chain L residue 174 THR Chi-restraints excluded: chain L residue 199 ILE Chi-restraints excluded: chain L residue 239 VAL Chi-restraints excluded: chain M residue 80 MET Chi-restraints excluded: chain M residue 101 LEU Chi-restraints excluded: chain M residue 123 LYS Chi-restraints excluded: chain M residue 124 VAL Chi-restraints excluded: chain M residue 199 ILE Chi-restraints excluded: chain M residue 239 VAL Chi-restraints excluded: chain N residue 48 GLN Chi-restraints excluded: chain N residue 80 MET Chi-restraints excluded: chain N residue 101 LEU Chi-restraints excluded: chain N residue 124 VAL Chi-restraints excluded: chain N residue 129 SER Chi-restraints excluded: chain N residue 149 THR Chi-restraints excluded: chain N residue 221 SER Chi-restraints excluded: chain N residue 239 VAL Chi-restraints excluded: chain N residue 312 ASN Chi-restraints excluded: chain N residue 333 LEU Chi-restraints excluded: chain N residue 361 LYS Chi-restraints excluded: chain O residue 80 MET Chi-restraints excluded: chain O residue 101 LEU Chi-restraints excluded: chain O residue 123 LYS Chi-restraints excluded: chain O residue 124 VAL Chi-restraints excluded: chain O residue 199 ILE Chi-restraints excluded: chain O residue 239 VAL Chi-restraints excluded: chain P residue 48 GLN Chi-restraints excluded: chain P residue 80 MET Chi-restraints excluded: chain P residue 101 LEU Chi-restraints excluded: chain P residue 124 VAL Chi-restraints excluded: chain P residue 129 SER Chi-restraints excluded: chain P residue 149 THR Chi-restraints excluded: chain P residue 221 SER Chi-restraints excluded: chain P residue 239 VAL Chi-restraints excluded: chain P residue 312 ASN Chi-restraints excluded: chain P residue 333 LEU Chi-restraints excluded: chain P residue 361 LYS Chi-restraints excluded: chain Q residue 48 GLN Chi-restraints excluded: chain Q residue 51 ASP Chi-restraints excluded: chain Q residue 149 THR Chi-restraints excluded: chain Q residue 174 THR Chi-restraints excluded: chain Q residue 180 VAL Chi-restraints excluded: chain Q residue 239 VAL Chi-restraints excluded: chain Q residue 274 SER Chi-restraints excluded: chain R residue 101 LEU Chi-restraints excluded: chain R residue 124 VAL Chi-restraints excluded: chain R residue 149 THR Chi-restraints excluded: chain R residue 174 THR Chi-restraints excluded: chain R residue 199 ILE Chi-restraints excluded: chain R residue 239 VAL Chi-restraints excluded: chain S residue 101 LEU Chi-restraints excluded: chain S residue 124 VAL Chi-restraints excluded: chain S residue 149 THR Chi-restraints excluded: chain S residue 174 THR Chi-restraints excluded: chain S residue 199 ILE Chi-restraints excluded: chain S residue 239 VAL Chi-restraints excluded: chain T residue 48 GLN Chi-restraints excluded: chain T residue 51 ASP Chi-restraints excluded: chain T residue 149 THR Chi-restraints excluded: chain T residue 174 THR Chi-restraints excluded: chain T residue 180 VAL Chi-restraints excluded: chain T residue 239 VAL Chi-restraints excluded: chain T residue 274 SER Chi-restraints excluded: chain U residue 101 LEU Chi-restraints excluded: chain U residue 124 VAL Chi-restraints excluded: chain U residue 149 THR Chi-restraints excluded: chain U residue 174 THR Chi-restraints excluded: chain U residue 199 ILE Chi-restraints excluded: chain U residue 239 VAL Chi-restraints excluded: chain V residue 48 GLN Chi-restraints excluded: chain V residue 51 ASP Chi-restraints excluded: chain V residue 149 THR Chi-restraints excluded: chain V residue 174 THR Chi-restraints excluded: chain V residue 180 VAL Chi-restraints excluded: chain V residue 239 VAL Chi-restraints excluded: chain V residue 274 SER Chi-restraints excluded: chain W residue 48 GLN Chi-restraints excluded: chain W residue 80 MET Chi-restraints excluded: chain W residue 101 LEU Chi-restraints excluded: chain W residue 124 VAL Chi-restraints excluded: chain W residue 129 SER Chi-restraints excluded: chain W residue 149 THR Chi-restraints excluded: chain W residue 221 SER Chi-restraints excluded: chain W residue 239 VAL Chi-restraints excluded: chain W residue 312 ASN Chi-restraints excluded: chain W residue 333 LEU Chi-restraints excluded: chain W residue 361 LYS Chi-restraints excluded: chain X residue 80 MET Chi-restraints excluded: chain X residue 101 LEU Chi-restraints excluded: chain X residue 123 LYS Chi-restraints excluded: chain X residue 124 VAL Chi-restraints excluded: chain X residue 199 ILE Chi-restraints excluded: chain X residue 239 VAL Chi-restraints excluded: chain Y residue 48 GLN Chi-restraints excluded: chain Y residue 80 MET Chi-restraints excluded: chain Y residue 101 LEU Chi-restraints excluded: chain Y residue 124 VAL Chi-restraints excluded: chain Y residue 129 SER Chi-restraints excluded: chain Y residue 149 THR Chi-restraints excluded: chain Y residue 221 SER Chi-restraints excluded: chain Y residue 239 VAL Chi-restraints excluded: chain Y residue 312 ASN Chi-restraints excluded: chain Y residue 333 LEU Chi-restraints excluded: chain Y residue 361 LYS Chi-restraints excluded: chain Z residue 80 MET Chi-restraints excluded: chain Z residue 101 LEU Chi-restraints excluded: chain Z residue 123 LYS Chi-restraints excluded: chain Z residue 124 VAL Chi-restraints excluded: chain Z residue 199 ILE Chi-restraints excluded: chain Z residue 239 VAL Chi-restraints excluded: chain 1 residue 80 MET Chi-restraints excluded: chain 1 residue 101 LEU Chi-restraints excluded: chain 1 residue 124 VAL Chi-restraints excluded: chain 1 residue 149 THR Chi-restraints excluded: chain 1 residue 174 THR Chi-restraints excluded: chain 1 residue 212 LYS Chi-restraints excluded: chain 1 residue 239 VAL Chi-restraints excluded: chain 1 residue 274 SER Chi-restraints excluded: chain 2 residue 80 MET Chi-restraints excluded: chain 2 residue 101 LEU Chi-restraints excluded: chain 2 residue 124 VAL Chi-restraints excluded: chain 2 residue 149 THR Chi-restraints excluded: chain 2 residue 174 THR Chi-restraints excluded: chain 2 residue 212 LYS Chi-restraints excluded: chain 2 residue 239 VAL Chi-restraints excluded: chain 2 residue 274 SER Chi-restraints excluded: chain 3 residue 80 MET Chi-restraints excluded: chain 3 residue 101 LEU Chi-restraints excluded: chain 3 residue 124 VAL Chi-restraints excluded: chain 3 residue 149 THR Chi-restraints excluded: chain 3 residue 174 THR Chi-restraints excluded: chain 3 residue 212 LYS Chi-restraints excluded: chain 3 residue 239 VAL Chi-restraints excluded: chain 3 residue 274 SER Chi-restraints excluded: chain 4 residue 80 MET Chi-restraints excluded: chain 4 residue 101 LEU Chi-restraints excluded: chain 4 residue 124 VAL Chi-restraints excluded: chain 4 residue 149 THR Chi-restraints excluded: chain 4 residue 174 THR Chi-restraints excluded: chain 4 residue 212 LYS Chi-restraints excluded: chain 4 residue 239 VAL Chi-restraints excluded: chain 4 residue 274 SER Chi-restraints excluded: chain 5 residue 80 MET Chi-restraints excluded: chain 5 residue 101 LEU Chi-restraints excluded: chain 5 residue 124 VAL Chi-restraints excluded: chain 5 residue 149 THR Chi-restraints excluded: chain 5 residue 174 THR Chi-restraints excluded: chain 5 residue 212 LYS Chi-restraints excluded: chain 5 residue 239 VAL Chi-restraints excluded: chain 5 residue 274 SER Chi-restraints excluded: chain 6 residue 80 MET Chi-restraints excluded: chain 6 residue 101 LEU Chi-restraints excluded: chain 6 residue 124 VAL Chi-restraints excluded: chain 6 residue 149 THR Chi-restraints excluded: chain 6 residue 174 THR Chi-restraints excluded: chain 6 residue 212 LYS Chi-restraints excluded: chain 6 residue 239 VAL Chi-restraints excluded: chain 6 residue 274 SER Chi-restraints excluded: chain a residue 48 GLN Chi-restraints excluded: chain a residue 149 THR Chi-restraints excluded: chain a residue 174 THR Chi-restraints excluded: chain a residue 180 VAL Chi-restraints excluded: chain a residue 239 VAL Chi-restraints excluded: chain a residue 274 SER Chi-restraints excluded: chain b residue 80 MET Chi-restraints excluded: chain b residue 101 LEU Chi-restraints excluded: chain b residue 123 LYS Chi-restraints excluded: chain b residue 124 VAL Chi-restraints excluded: chain b residue 199 ILE Chi-restraints excluded: chain b residue 239 VAL Chi-restraints excluded: chain c residue 48 GLN Chi-restraints excluded: chain c residue 101 LEU Chi-restraints excluded: chain c residue 124 VAL Chi-restraints excluded: chain c residue 129 SER Chi-restraints excluded: chain c residue 149 THR Chi-restraints excluded: chain c residue 221 SER Chi-restraints excluded: chain c residue 239 VAL Chi-restraints excluded: chain c residue 312 ASN Chi-restraints excluded: chain c residue 333 LEU Chi-restraints excluded: chain c residue 361 LYS Chi-restraints excluded: chain d residue 48 GLN Chi-restraints excluded: chain d residue 80 MET Chi-restraints excluded: chain d residue 101 LEU Chi-restraints excluded: chain d residue 124 VAL Chi-restraints excluded: chain d residue 129 SER Chi-restraints excluded: chain d residue 149 THR Chi-restraints excluded: chain d residue 221 SER Chi-restraints excluded: chain d residue 239 VAL Chi-restraints excluded: chain d residue 333 LEU Chi-restraints excluded: chain d residue 361 LYS Chi-restraints excluded: chain e residue 48 GLN Chi-restraints excluded: chain e residue 80 MET Chi-restraints excluded: chain e residue 101 LEU Chi-restraints excluded: chain e residue 124 VAL Chi-restraints excluded: chain e residue 129 SER Chi-restraints excluded: chain e residue 149 THR Chi-restraints excluded: chain e residue 239 VAL Chi-restraints excluded: chain e residue 312 ASN Chi-restraints excluded: chain e residue 333 LEU Chi-restraints excluded: chain e residue 361 LYS Chi-restraints excluded: chain f residue 80 MET Chi-restraints excluded: chain f residue 101 LEU Chi-restraints excluded: chain f residue 123 LYS Chi-restraints excluded: chain f residue 124 VAL Chi-restraints excluded: chain f residue 199 ILE Chi-restraints excluded: chain f residue 239 VAL Chi-restraints excluded: chain g residue 48 GLN Chi-restraints excluded: chain g residue 149 THR Chi-restraints excluded: chain g residue 174 THR Chi-restraints excluded: chain g residue 180 VAL Chi-restraints excluded: chain g residue 239 VAL Chi-restraints excluded: chain g residue 274 SER Chi-restraints excluded: chain g residue 279 ARG Chi-restraints excluded: chain h residue 80 MET Chi-restraints excluded: chain h residue 101 LEU Chi-restraints excluded: chain h residue 124 VAL Chi-restraints excluded: chain h residue 149 THR Chi-restraints excluded: chain h residue 174 THR Chi-restraints excluded: chain h residue 212 LYS Chi-restraints excluded: chain h residue 239 VAL Chi-restraints excluded: chain h residue 274 SER Chi-restraints excluded: chain i residue 80 MET Chi-restraints excluded: chain i residue 101 LEU Chi-restraints excluded: chain i residue 123 LYS Chi-restraints excluded: chain i residue 124 VAL Chi-restraints excluded: chain i residue 199 ILE Chi-restraints excluded: chain i residue 239 VAL Chi-restraints excluded: chain j residue 48 GLN Chi-restraints excluded: chain j residue 51 ASP Chi-restraints excluded: chain j residue 149 THR Chi-restraints excluded: chain j residue 174 THR Chi-restraints excluded: chain j residue 180 VAL Chi-restraints excluded: chain j residue 239 VAL Chi-restraints excluded: chain j residue 274 SER Chi-restraints excluded: chain k residue 101 LEU Chi-restraints excluded: chain k residue 124 VAL Chi-restraints excluded: chain k residue 149 THR Chi-restraints excluded: chain k residue 174 THR Chi-restraints excluded: chain k residue 199 ILE Chi-restraints excluded: chain k residue 239 VAL Chi-restraints excluded: chain l residue 101 LEU Chi-restraints excluded: chain l residue 124 VAL Chi-restraints excluded: chain l residue 149 THR Chi-restraints excluded: chain l residue 174 THR Chi-restraints excluded: chain l residue 199 ILE Chi-restraints excluded: chain l residue 239 VAL Chi-restraints excluded: chain m residue 101 LEU Chi-restraints excluded: chain m residue 124 VAL Chi-restraints excluded: chain m residue 149 THR Chi-restraints excluded: chain m residue 174 THR Chi-restraints excluded: chain m residue 199 ILE Chi-restraints excluded: chain m residue 239 VAL Chi-restraints excluded: chain n residue 80 MET Chi-restraints excluded: chain n residue 101 LEU Chi-restraints excluded: chain n residue 123 LYS Chi-restraints excluded: chain n residue 124 VAL Chi-restraints excluded: chain n residue 199 ILE Chi-restraints excluded: chain n residue 239 VAL Chi-restraints excluded: chain o residue 48 GLN Chi-restraints excluded: chain o residue 51 ASP Chi-restraints excluded: chain o residue 149 THR Chi-restraints excluded: chain o residue 174 THR Chi-restraints excluded: chain o residue 180 VAL Chi-restraints excluded: chain o residue 239 VAL Chi-restraints excluded: chain o residue 274 SER Chi-restraints excluded: chain p residue 80 MET Chi-restraints excluded: chain p residue 101 LEU Chi-restraints excluded: chain p residue 124 VAL Chi-restraints excluded: chain p residue 149 THR Chi-restraints excluded: chain p residue 174 THR Chi-restraints excluded: chain p residue 212 LYS Chi-restraints excluded: chain p residue 239 VAL Chi-restraints excluded: chain p residue 274 SER Chi-restraints excluded: chain q residue 80 MET Chi-restraints excluded: chain q residue 101 LEU Chi-restraints excluded: chain q residue 123 LYS Chi-restraints excluded: chain q residue 124 VAL Chi-restraints excluded: chain q residue 199 ILE Chi-restraints excluded: chain q residue 239 VAL Chi-restraints excluded: chain r residue 48 GLN Chi-restraints excluded: chain r residue 149 THR Chi-restraints excluded: chain r residue 174 THR Chi-restraints excluded: chain r residue 180 VAL Chi-restraints excluded: chain r residue 239 VAL Chi-restraints excluded: chain r residue 274 SER Chi-restraints excluded: chain s residue 80 MET Chi-restraints excluded: chain s residue 101 LEU Chi-restraints excluded: chain s residue 124 VAL Chi-restraints excluded: chain s residue 149 THR Chi-restraints excluded: chain s residue 174 THR Chi-restraints excluded: chain s residue 212 LYS Chi-restraints excluded: chain s residue 239 VAL Chi-restraints excluded: chain s residue 274 SER Chi-restraints excluded: chain t residue 101 LEU Chi-restraints excluded: chain t residue 124 VAL Chi-restraints excluded: chain t residue 149 THR Chi-restraints excluded: chain t residue 174 THR Chi-restraints excluded: chain t residue 199 ILE Chi-restraints excluded: chain t residue 239 VAL Chi-restraints excluded: chain u residue 101 LEU Chi-restraints excluded: chain u residue 124 VAL Chi-restraints excluded: chain u residue 149 THR Chi-restraints excluded: chain u residue 174 THR Chi-restraints excluded: chain u residue 199 ILE Chi-restraints excluded: chain u residue 239 VAL Chi-restraints excluded: chain v residue 101 LEU Chi-restraints excluded: chain v residue 124 VAL Chi-restraints excluded: chain v residue 149 THR Chi-restraints excluded: chain v residue 174 THR Chi-restraints excluded: chain v residue 199 ILE Chi-restraints excluded: chain v residue 239 VAL Chi-restraints excluded: chain w residue 80 MET Chi-restraints excluded: chain w residue 101 LEU Chi-restraints excluded: chain w residue 124 VAL Chi-restraints excluded: chain w residue 149 THR Chi-restraints excluded: chain w residue 174 THR Chi-restraints excluded: chain w residue 212 LYS Chi-restraints excluded: chain w residue 239 VAL Chi-restraints excluded: chain w residue 274 SER Chi-restraints excluded: chain x residue 48 GLN Chi-restraints excluded: chain x residue 51 ASP Chi-restraints excluded: chain x residue 149 THR Chi-restraints excluded: chain x residue 174 THR Chi-restraints excluded: chain x residue 180 VAL Chi-restraints excluded: chain x residue 239 VAL Chi-restraints excluded: chain x residue 274 SER Chi-restraints excluded: chain y residue 48 GLN Chi-restraints excluded: chain y residue 68 ASN Chi-restraints excluded: chain y residue 80 MET Chi-restraints excluded: chain y residue 101 LEU Chi-restraints excluded: chain y residue 124 VAL Chi-restraints excluded: chain y residue 129 SER Chi-restraints excluded: chain y residue 149 THR Chi-restraints excluded: chain y residue 221 SER Chi-restraints excluded: chain y residue 239 VAL Chi-restraints excluded: chain y residue 312 ASN Chi-restraints excluded: chain y residue 333 LEU Chi-restraints excluded: chain y residue 361 LYS Chi-restraints excluded: chain z residue 48 GLN Chi-restraints excluded: chain z residue 80 MET Chi-restraints excluded: chain z residue 101 LEU Chi-restraints excluded: chain z residue 124 VAL Chi-restraints excluded: chain z residue 129 SER Chi-restraints excluded: chain z residue 149 THR Chi-restraints excluded: chain z residue 221 SER Chi-restraints excluded: chain z residue 239 VAL Chi-restraints excluded: chain z residue 312 ASN Chi-restraints excluded: chain z residue 333 LEU Chi-restraints excluded: chain z residue 361 LYS Chi-restraints excluded: chain 7 residue 48 GLN Chi-restraints excluded: chain 7 residue 80 MET Chi-restraints excluded: chain 7 residue 101 LEU Chi-restraints excluded: chain 7 residue 124 VAL Chi-restraints excluded: chain 7 residue 129 SER Chi-restraints excluded: chain 7 residue 149 THR Chi-restraints excluded: chain 7 residue 221 SER Chi-restraints excluded: chain 7 residue 239 VAL Chi-restraints excluded: chain 7 residue 312 ASN Chi-restraints excluded: chain 7 residue 333 LEU Chi-restraints excluded: chain 7 residue 361 LYS Chi-restraints excluded: chain 8 residue 80 MET Chi-restraints excluded: chain 8 residue 101 LEU Chi-restraints excluded: chain 8 residue 123 LYS Chi-restraints excluded: chain 8 residue 124 VAL Chi-restraints excluded: chain 8 residue 199 ILE Chi-restraints excluded: chain 8 residue 239 VAL Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1860 random chunks: chunk 1671 optimal weight: 0.6980 chunk 1272 optimal weight: 2.9990 chunk 878 optimal weight: 5.9990 chunk 187 optimal weight: 4.9990 chunk 807 optimal weight: 4.9990 chunk 1136 optimal weight: 0.1980 chunk 1698 optimal weight: 5.9990 chunk 1797 optimal weight: 7.9990 chunk 887 optimal weight: 2.9990 chunk 1609 optimal weight: 2.9990 chunk 484 optimal weight: 9.9990 overall best weight: 1.9786 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 152 ASN ** A 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 312 ASN A 317 ASN B 152 ASN B 317 ASN C 152 ASN ** C 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 152 ASN ** D 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 152 ASN E 213 GLN ** E 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 328 GLN F 152 ASN ** F 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 312 ASN F 317 ASN G 152 ASN G 213 GLN ** G 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 328 GLN H 152 ASN ** H 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 152 ASN ** I 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 317 ASN J 152 ASN J 317 ASN K 152 ASN ** K 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 317 ASN L 152 ASN L 317 ASN M 152 ASN M 213 GLN ** M 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 328 GLN N 152 ASN ** N 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 152 ASN ** O 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 328 GLN P 152 ASN ** P 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 152 ASN ** Q 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 222 HIS ** Q 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 152 ASN R 317 ASN S 152 ASN S 317 ASN T 152 ASN ** T 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 317 ASN U 152 ASN U 317 ASN V 152 ASN ** V 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 152 ASN ** W 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 152 ASN ** X 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 328 GLN Y 152 ASN ** Y 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 152 ASN Z 213 GLN ** Z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 328 GLN 1 152 ASN ** 1 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 312 ASN 1 317 ASN 2 152 ASN ** 2 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 312 ASN 2 317 ASN 3 152 ASN ** 3 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 312 ASN 3 317 ASN 4 152 ASN ** 4 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 312 ASN 4 317 ASN 5 152 ASN ** 5 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 312 ASN 5 317 ASN 6 152 ASN ** 6 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 312 ASN 6 317 ASN a 152 ASN ** a 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 152 ASN b 213 GLN ** b 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 328 GLN c 152 ASN ** c 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 328 GLN d 152 ASN ** d 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 312 ASN e 152 ASN ** e 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 328 GLN f 152 ASN f 213 GLN ** f 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 328 GLN g 152 ASN ** g 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 222 HIS ** g 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 317 ASN h 152 ASN ** h 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 312 ASN h 317 ASN i 152 ASN i 213 GLN ** i 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** i 328 GLN j 152 ASN ** j 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 152 ASN k 317 ASN l 152 ASN l 317 ASN m 152 ASN m 317 ASN n 152 ASN n 213 GLN ** n 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 152 ASN ** o 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 222 HIS ** o 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 317 ASN p 152 ASN ** p 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 312 ASN p 317 ASN q 152 ASN ** q 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 328 GLN r 152 ASN ** r 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 152 ASN ** s 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 312 ASN s 317 ASN t 152 ASN t 317 ASN u 152 ASN u 317 ASN v 152 ASN v 317 ASN w 152 ASN ** w 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 312 ASN w 317 ASN x 152 ASN ** x 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 317 ASN y 152 ASN ** y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 152 ASN ** z 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 152 ASN ** 7 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 152 ASN ** 8 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 126 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8491 moved from start: 0.2612 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.041 155760 Z= 0.308 Angle : 0.600 5.630 211920 Z= 0.325 Chirality : 0.049 0.181 23220 Planarity : 0.004 0.042 27240 Dihedral : 6.428 57.298 20640 Min Nonbonded Distance : 2.024 Molprobity Statistics. All-atom Clashscore : 13.30 Ramachandran Plot: Outliers : 0.32 % Allowed : 5.97 % Favored : 93.71 % Rotamer: Outliers : 4.62 % Allowed : 14.26 % Favored : 81.11 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.18 (0.06), residues: 18780 helix: -2.96 (0.15), residues: 840 sheet: -0.31 (0.06), residues: 6180 loop : -0.86 (0.06), residues: 11760 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.020 0.002 TRP r 211 HIS 0.008 0.001 HIS d 159 PHE 0.017 0.002 PHE 6 301 TYR 0.014 0.002 TYR O 110 ARG 0.009 0.001 ARG e 61 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 37560 Ramachandran restraints generated. 18780 Oldfield, 0 Emsley, 18780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 37560 Ramachandran restraints generated. 18780 Oldfield, 0 Emsley, 18780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3213 residues out of total 16980 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 785 poor density : 2428 time to evaluate : 13.362 Fit side-chains REVERT: B 80 MET cc_start: 0.9066 (ptt) cc_final: 0.8750 (ptt) REVERT: B 364 MET cc_start: 0.8638 (ptp) cc_final: 0.8375 (ptm) REVERT: C 48 GLN cc_start: 0.8458 (OUTLIER) cc_final: 0.8041 (mt0) REVERT: D 48 GLN cc_start: 0.8576 (OUTLIER) cc_final: 0.8306 (mt0) REVERT: E 199 ILE cc_start: 0.9090 (OUTLIER) cc_final: 0.8795 (mt) REVERT: G 199 ILE cc_start: 0.9084 (OUTLIER) cc_final: 0.8788 (mt) REVERT: H 48 GLN cc_start: 0.8578 (OUTLIER) cc_final: 0.8304 (mt0) REVERT: H 294 GLU cc_start: 0.8622 (mt-10) cc_final: 0.8394 (mt-10) REVERT: I 48 GLN cc_start: 0.8457 (OUTLIER) cc_final: 0.8035 (mt0) REVERT: J 80 MET cc_start: 0.9073 (ptt) cc_final: 0.8744 (ptt) REVERT: J 364 MET cc_start: 0.8639 (ptp) cc_final: 0.8373 (ptm) REVERT: K 48 GLN cc_start: 0.8496 (OUTLIER) cc_final: 0.8180 (mt0) REVERT: L 80 MET cc_start: 0.9072 (ptt) cc_final: 0.8751 (ptt) REVERT: L 364 MET cc_start: 0.8653 (ptp) cc_final: 0.8388 (ptm) REVERT: M 199 ILE cc_start: 0.9104 (OUTLIER) cc_final: 0.8816 (mt) REVERT: N 48 GLN cc_start: 0.8576 (OUTLIER) cc_final: 0.8305 (mt0) REVERT: N 294 GLU cc_start: 0.8612 (mt-10) cc_final: 0.8332 (mt-10) REVERT: O 199 ILE cc_start: 0.9107 (OUTLIER) cc_final: 0.8826 (mt) REVERT: P 48 GLN cc_start: 0.8576 (OUTLIER) cc_final: 0.8308 (mt0) REVERT: Q 48 GLN cc_start: 0.8454 (OUTLIER) cc_final: 0.8033 (mt0) REVERT: R 80 MET cc_start: 0.9073 (ptt) cc_final: 0.8751 (ptt) REVERT: R 364 MET cc_start: 0.8634 (ptp) cc_final: 0.8373 (ptm) REVERT: S 80 MET cc_start: 0.9067 (ptt) cc_final: 0.8734 (ptt) REVERT: S 364 MET cc_start: 0.8635 (ptp) cc_final: 0.8371 (ptm) REVERT: T 48 GLN cc_start: 0.8464 (OUTLIER) cc_final: 0.8008 (mt0) REVERT: U 80 MET cc_start: 0.9070 (ptt) cc_final: 0.8756 (ptt) REVERT: U 364 MET cc_start: 0.8660 (ptp) cc_final: 0.8390 (ptm) REVERT: V 48 GLN cc_start: 0.8456 (OUTLIER) cc_final: 0.8037 (mt0) REVERT: W 48 GLN cc_start: 0.8576 (OUTLIER) cc_final: 0.8303 (mt0) REVERT: W 364 MET cc_start: 0.8608 (ptp) cc_final: 0.8378 (ptm) REVERT: X 199 ILE cc_start: 0.9090 (OUTLIER) cc_final: 0.8797 (mt) REVERT: Y 48 GLN cc_start: 0.8591 (OUTLIER) cc_final: 0.8316 (mt0) REVERT: Y 294 GLU cc_start: 0.8619 (mt-10) cc_final: 0.8401 (mt-10) REVERT: Z 199 ILE cc_start: 0.9103 (OUTLIER) cc_final: 0.8811 (mt) REVERT: a 48 GLN cc_start: 0.8491 (OUTLIER) cc_final: 0.8169 (mt0) REVERT: b 199 ILE cc_start: 0.9095 (OUTLIER) cc_final: 0.8810 (mt) REVERT: c 48 GLN cc_start: 0.8573 (OUTLIER) cc_final: 0.8281 (mt0) REVERT: d 48 GLN cc_start: 0.8562 (OUTLIER) cc_final: 0.8291 (mt0) REVERT: d 187 ASP cc_start: 0.8200 (p0) cc_final: 0.7964 (p0) REVERT: e 48 GLN cc_start: 0.8604 (OUTLIER) cc_final: 0.8316 (mt0) REVERT: e 294 GLU cc_start: 0.8612 (mt-10) cc_final: 0.8396 (mt-10) REVERT: f 199 ILE cc_start: 0.9084 (OUTLIER) cc_final: 0.8789 (mt) REVERT: g 48 GLN cc_start: 0.8495 (OUTLIER) cc_final: 0.8178 (mt0) REVERT: i 199 ILE cc_start: 0.9084 (OUTLIER) cc_final: 0.8790 (mt) REVERT: j 48 GLN cc_start: 0.8456 (OUTLIER) cc_final: 0.8034 (mt0) REVERT: k 80 MET cc_start: 0.9069 (ptt) cc_final: 0.8757 (ptt) REVERT: k 286 LYS cc_start: 0.8641 (mtpt) cc_final: 0.8366 (mttt) REVERT: k 364 MET cc_start: 0.8644 (ptp) cc_final: 0.8377 (ptm) REVERT: l 80 MET cc_start: 0.9075 (ptt) cc_final: 0.8737 (ptt) REVERT: l 364 MET cc_start: 0.8631 (ptp) cc_final: 0.8366 (ptm) REVERT: m 80 MET cc_start: 0.9060 (ptt) cc_final: 0.8743 (ptt) REVERT: m 364 MET cc_start: 0.8658 (ptp) cc_final: 0.8395 (ptm) REVERT: n 138 LEU cc_start: 0.6429 (OUTLIER) cc_final: 0.6203 (mm) REVERT: n 199 ILE cc_start: 0.9101 (OUTLIER) cc_final: 0.8814 (mt) REVERT: o 48 GLN cc_start: 0.8451 (OUTLIER) cc_final: 0.8027 (mt0) REVERT: o 279 ARG cc_start: 0.8090 (OUTLIER) cc_final: 0.7889 (mtp-110) REVERT: q 123 LYS cc_start: 0.8299 (OUTLIER) cc_final: 0.8058 (ttpt) REVERT: q 199 ILE cc_start: 0.9097 (OUTLIER) cc_final: 0.8810 (mt) REVERT: r 48 GLN cc_start: 0.8497 (OUTLIER) cc_final: 0.8177 (mt0) REVERT: t 80 MET cc_start: 0.9074 (ptt) cc_final: 0.8754 (ptt) REVERT: t 364 MET cc_start: 0.8637 (ptp) cc_final: 0.8368 (ptm) REVERT: u 80 MET cc_start: 0.9073 (ptt) cc_final: 0.8754 (ptt) REVERT: u 364 MET cc_start: 0.8639 (ptp) cc_final: 0.8369 (ptm) REVERT: v 80 MET cc_start: 0.9077 (ptt) cc_final: 0.8743 (ptt) REVERT: v 364 MET cc_start: 0.8638 (ptp) cc_final: 0.8371 (ptm) REVERT: x 48 GLN cc_start: 0.8449 (OUTLIER) cc_final: 0.8027 (mt0) REVERT: y 48 GLN cc_start: 0.8580 (OUTLIER) cc_final: 0.8307 (mt0) REVERT: y 294 GLU cc_start: 0.8614 (mt-10) cc_final: 0.8380 (mt-10) REVERT: z 48 GLN cc_start: 0.8579 (OUTLIER) cc_final: 0.8304 (mt0) REVERT: 7 48 GLN cc_start: 0.8590 (OUTLIER) cc_final: 0.8312 (mt0) REVERT: 7 294 GLU cc_start: 0.8595 (mt-10) cc_final: 0.8341 (mt-10) REVERT: 7 364 MET cc_start: 0.8621 (ptp) cc_final: 0.8408 (ptm) REVERT: 8 199 ILE cc_start: 0.9093 (OUTLIER) cc_final: 0.8807 (mt) outliers start: 785 outliers final: 413 residues processed: 2910 average time/residue: 2.1505 time to fit residues: 9113.8096 Evaluate side-chains 2734 residues out of total 16980 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 452 poor density : 2282 time to evaluate : 12.879 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 80 MET Chi-restraints excluded: chain A residue 101 LEU Chi-restraints excluded: chain A residue 124 VAL Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 170 VAL Chi-restraints excluded: chain A residue 174 THR Chi-restraints excluded: chain A residue 239 VAL Chi-restraints excluded: chain A residue 274 SER Chi-restraints excluded: chain B residue 101 LEU Chi-restraints excluded: chain B residue 124 VAL Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 174 THR Chi-restraints excluded: chain B residue 199 ILE Chi-restraints excluded: chain B residue 239 VAL Chi-restraints excluded: chain C residue 48 GLN Chi-restraints excluded: chain C residue 68 ASN Chi-restraints excluded: chain C residue 101 LEU Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 174 THR Chi-restraints excluded: chain C residue 180 VAL Chi-restraints excluded: chain C residue 239 VAL Chi-restraints excluded: chain C residue 325 LEU Chi-restraints excluded: chain D residue 48 GLN Chi-restraints excluded: chain D residue 80 MET Chi-restraints excluded: chain D residue 101 LEU Chi-restraints excluded: chain D residue 124 VAL Chi-restraints excluded: chain D residue 129 SER Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 221 SER Chi-restraints excluded: chain D residue 239 VAL Chi-restraints excluded: chain E residue 80 MET Chi-restraints excluded: chain E residue 101 LEU Chi-restraints excluded: chain E residue 124 VAL Chi-restraints excluded: chain E residue 149 THR Chi-restraints excluded: chain E residue 199 ILE Chi-restraints excluded: chain E residue 239 VAL Chi-restraints excluded: chain F residue 80 MET Chi-restraints excluded: chain F residue 101 LEU Chi-restraints excluded: chain F residue 124 VAL Chi-restraints excluded: chain F residue 149 THR Chi-restraints excluded: chain F residue 170 VAL Chi-restraints excluded: chain F residue 174 THR Chi-restraints excluded: chain F residue 239 VAL Chi-restraints excluded: chain F residue 274 SER Chi-restraints excluded: chain G residue 80 MET Chi-restraints excluded: chain G residue 101 LEU Chi-restraints excluded: chain G residue 124 VAL Chi-restraints excluded: chain G residue 149 THR Chi-restraints excluded: chain G residue 199 ILE Chi-restraints excluded: chain G residue 239 VAL Chi-restraints excluded: chain H residue 48 GLN Chi-restraints excluded: chain H residue 80 MET Chi-restraints excluded: chain H residue 101 LEU Chi-restraints excluded: chain H residue 124 VAL Chi-restraints excluded: chain H residue 129 SER Chi-restraints excluded: chain H residue 149 THR Chi-restraints excluded: chain H residue 221 SER Chi-restraints excluded: chain H residue 239 VAL Chi-restraints excluded: chain I residue 48 GLN Chi-restraints excluded: chain I residue 68 ASN Chi-restraints excluded: chain I residue 101 LEU Chi-restraints excluded: chain I residue 149 THR Chi-restraints excluded: chain I residue 174 THR Chi-restraints excluded: chain I residue 180 VAL Chi-restraints excluded: chain I residue 239 VAL Chi-restraints excluded: chain I residue 274 SER Chi-restraints excluded: chain I residue 325 LEU Chi-restraints excluded: chain J residue 101 LEU Chi-restraints excluded: chain J residue 124 VAL Chi-restraints excluded: chain J residue 149 THR Chi-restraints excluded: chain J residue 174 THR Chi-restraints excluded: chain J residue 199 ILE Chi-restraints excluded: chain J residue 239 VAL Chi-restraints excluded: chain K residue 48 GLN Chi-restraints excluded: chain K residue 68 ASN Chi-restraints excluded: chain K residue 101 LEU Chi-restraints excluded: chain K residue 149 THR Chi-restraints excluded: chain K residue 174 THR Chi-restraints excluded: chain K residue 180 VAL Chi-restraints excluded: chain K residue 239 VAL Chi-restraints excluded: chain K residue 274 SER Chi-restraints excluded: chain K residue 325 LEU Chi-restraints excluded: chain L residue 92 CYS Chi-restraints excluded: chain L residue 101 LEU Chi-restraints excluded: chain L residue 124 VAL Chi-restraints excluded: chain L residue 149 THR Chi-restraints excluded: chain L residue 174 THR Chi-restraints excluded: chain L residue 199 ILE Chi-restraints excluded: chain L residue 239 VAL Chi-restraints excluded: chain M residue 80 MET Chi-restraints excluded: chain M residue 101 LEU Chi-restraints excluded: chain M residue 124 VAL Chi-restraints excluded: chain M residue 149 THR Chi-restraints excluded: chain M residue 199 ILE Chi-restraints excluded: chain M residue 239 VAL Chi-restraints excluded: chain N residue 48 GLN Chi-restraints excluded: chain N residue 80 MET Chi-restraints excluded: chain N residue 101 LEU Chi-restraints excluded: chain N residue 124 VAL Chi-restraints excluded: chain N residue 129 SER Chi-restraints excluded: chain N residue 149 THR Chi-restraints excluded: chain N residue 221 SER Chi-restraints excluded: chain N residue 239 VAL Chi-restraints excluded: chain O residue 80 MET Chi-restraints excluded: chain O residue 101 LEU Chi-restraints excluded: chain O residue 124 VAL Chi-restraints excluded: chain O residue 149 THR Chi-restraints excluded: chain O residue 199 ILE Chi-restraints excluded: chain O residue 239 VAL Chi-restraints excluded: chain P residue 48 GLN Chi-restraints excluded: chain P residue 80 MET Chi-restraints excluded: chain P residue 101 LEU Chi-restraints excluded: chain P residue 124 VAL Chi-restraints excluded: chain P residue 129 SER Chi-restraints excluded: chain P residue 149 THR Chi-restraints excluded: chain P residue 221 SER Chi-restraints excluded: chain P residue 239 VAL Chi-restraints excluded: chain P residue 361 LYS Chi-restraints excluded: chain Q residue 48 GLN Chi-restraints excluded: chain Q residue 68 ASN Chi-restraints excluded: chain Q residue 101 LEU Chi-restraints excluded: chain Q residue 149 THR Chi-restraints excluded: chain Q residue 174 THR Chi-restraints excluded: chain Q residue 180 VAL Chi-restraints excluded: chain Q residue 239 VAL Chi-restraints excluded: chain Q residue 274 SER Chi-restraints excluded: chain Q residue 325 LEU Chi-restraints excluded: chain R residue 101 LEU Chi-restraints excluded: chain R residue 124 VAL Chi-restraints excluded: chain R residue 149 THR Chi-restraints excluded: chain R residue 174 THR Chi-restraints excluded: chain R residue 199 ILE Chi-restraints excluded: chain R residue 239 VAL Chi-restraints excluded: chain S residue 101 LEU Chi-restraints excluded: chain S residue 124 VAL Chi-restraints excluded: chain S residue 149 THR Chi-restraints excluded: chain S residue 174 THR Chi-restraints excluded: chain S residue 199 ILE Chi-restraints excluded: chain S residue 239 VAL Chi-restraints excluded: chain T residue 48 GLN Chi-restraints excluded: chain T residue 68 ASN Chi-restraints excluded: chain T residue 101 LEU Chi-restraints excluded: chain T residue 149 THR Chi-restraints excluded: chain T residue 174 THR Chi-restraints excluded: chain T residue 180 VAL Chi-restraints excluded: chain T residue 239 VAL Chi-restraints excluded: chain T residue 274 SER Chi-restraints excluded: chain T residue 325 LEU Chi-restraints excluded: chain U residue 92 CYS Chi-restraints excluded: chain U residue 101 LEU Chi-restraints excluded: chain U residue 124 VAL Chi-restraints excluded: chain U residue 149 THR Chi-restraints excluded: chain U residue 174 THR Chi-restraints excluded: chain U residue 199 ILE Chi-restraints excluded: chain U residue 239 VAL Chi-restraints excluded: chain V residue 48 GLN Chi-restraints excluded: chain V residue 68 ASN Chi-restraints excluded: chain V residue 149 THR Chi-restraints excluded: chain V residue 174 THR Chi-restraints excluded: chain V residue 180 VAL Chi-restraints excluded: chain V residue 239 VAL Chi-restraints excluded: chain V residue 274 SER Chi-restraints excluded: chain V residue 325 LEU Chi-restraints excluded: chain W residue 48 GLN Chi-restraints excluded: chain W residue 80 MET Chi-restraints excluded: chain W residue 101 LEU Chi-restraints excluded: chain W residue 124 VAL Chi-restraints excluded: chain W residue 129 SER Chi-restraints excluded: chain W residue 149 THR Chi-restraints excluded: chain W residue 221 SER Chi-restraints excluded: chain W residue 239 VAL Chi-restraints excluded: chain X residue 80 MET Chi-restraints excluded: chain X residue 101 LEU Chi-restraints excluded: chain X residue 124 VAL Chi-restraints excluded: chain X residue 149 THR Chi-restraints excluded: chain X residue 199 ILE Chi-restraints excluded: chain X residue 239 VAL Chi-restraints excluded: chain Y residue 48 GLN Chi-restraints excluded: chain Y residue 68 ASN Chi-restraints excluded: chain Y residue 80 MET Chi-restraints excluded: chain Y residue 101 LEU Chi-restraints excluded: chain Y residue 124 VAL Chi-restraints excluded: chain Y residue 129 SER Chi-restraints excluded: chain Y residue 149 THR Chi-restraints excluded: chain Y residue 221 SER Chi-restraints excluded: chain Y residue 239 VAL Chi-restraints excluded: chain Z residue 80 MET Chi-restraints excluded: chain Z residue 101 LEU Chi-restraints excluded: chain Z residue 124 VAL Chi-restraints excluded: chain Z residue 149 THR Chi-restraints excluded: chain Z residue 199 ILE Chi-restraints excluded: chain Z residue 239 VAL Chi-restraints excluded: chain 1 residue 80 MET Chi-restraints excluded: chain 1 residue 101 LEU Chi-restraints excluded: chain 1 residue 124 VAL Chi-restraints excluded: chain 1 residue 149 THR Chi-restraints excluded: chain 1 residue 167 LEU Chi-restraints excluded: chain 1 residue 170 VAL Chi-restraints excluded: chain 1 residue 174 THR Chi-restraints excluded: chain 1 residue 239 VAL Chi-restraints excluded: chain 1 residue 274 SER Chi-restraints excluded: chain 2 residue 80 MET Chi-restraints excluded: chain 2 residue 101 LEU Chi-restraints excluded: chain 2 residue 124 VAL Chi-restraints excluded: chain 2 residue 149 THR Chi-restraints excluded: chain 2 residue 170 VAL Chi-restraints excluded: chain 2 residue 174 THR Chi-restraints excluded: chain 2 residue 239 VAL Chi-restraints excluded: chain 2 residue 274 SER Chi-restraints excluded: chain 3 residue 80 MET Chi-restraints excluded: chain 3 residue 101 LEU Chi-restraints excluded: chain 3 residue 124 VAL Chi-restraints excluded: chain 3 residue 149 THR Chi-restraints excluded: chain 3 residue 170 VAL Chi-restraints excluded: chain 3 residue 174 THR Chi-restraints excluded: chain 3 residue 239 VAL Chi-restraints excluded: chain 3 residue 274 SER Chi-restraints excluded: chain 4 residue 80 MET Chi-restraints excluded: chain 4 residue 101 LEU Chi-restraints excluded: chain 4 residue 124 VAL Chi-restraints excluded: chain 4 residue 149 THR Chi-restraints excluded: chain 4 residue 170 VAL Chi-restraints excluded: chain 4 residue 174 THR Chi-restraints excluded: chain 4 residue 239 VAL Chi-restraints excluded: chain 4 residue 274 SER Chi-restraints excluded: chain 5 residue 80 MET Chi-restraints excluded: chain 5 residue 101 LEU Chi-restraints excluded: chain 5 residue 124 VAL Chi-restraints excluded: chain 5 residue 149 THR Chi-restraints excluded: chain 5 residue 167 LEU Chi-restraints excluded: chain 5 residue 170 VAL Chi-restraints excluded: chain 5 residue 174 THR Chi-restraints excluded: chain 5 residue 239 VAL Chi-restraints excluded: chain 5 residue 274 SER Chi-restraints excluded: chain 6 residue 80 MET Chi-restraints excluded: chain 6 residue 101 LEU Chi-restraints excluded: chain 6 residue 124 VAL Chi-restraints excluded: chain 6 residue 149 THR Chi-restraints excluded: chain 6 residue 167 LEU Chi-restraints excluded: chain 6 residue 174 THR Chi-restraints excluded: chain 6 residue 239 VAL Chi-restraints excluded: chain 6 residue 274 SER Chi-restraints excluded: chain a residue 48 GLN Chi-restraints excluded: chain a residue 68 ASN Chi-restraints excluded: chain a residue 101 LEU Chi-restraints excluded: chain a residue 149 THR Chi-restraints excluded: chain a residue 174 THR Chi-restraints excluded: chain a residue 180 VAL Chi-restraints excluded: chain a residue 239 VAL Chi-restraints excluded: chain a residue 274 SER Chi-restraints excluded: chain a residue 325 LEU Chi-restraints excluded: chain b residue 80 MET Chi-restraints excluded: chain b residue 101 LEU Chi-restraints excluded: chain b residue 124 VAL Chi-restraints excluded: chain b residue 149 THR Chi-restraints excluded: chain b residue 199 ILE Chi-restraints excluded: chain b residue 239 VAL Chi-restraints excluded: chain b residue 340 LYS Chi-restraints excluded: chain c residue 48 GLN Chi-restraints excluded: chain c residue 101 LEU Chi-restraints excluded: chain c residue 124 VAL Chi-restraints excluded: chain c residue 129 SER Chi-restraints excluded: chain c residue 149 THR Chi-restraints excluded: chain c residue 221 SER Chi-restraints excluded: chain c residue 239 VAL Chi-restraints excluded: chain d residue 48 GLN Chi-restraints excluded: chain d residue 80 MET Chi-restraints excluded: chain d residue 101 LEU Chi-restraints excluded: chain d residue 124 VAL Chi-restraints excluded: chain d residue 129 SER Chi-restraints excluded: chain d residue 149 THR Chi-restraints excluded: chain d residue 221 SER Chi-restraints excluded: chain d residue 239 VAL Chi-restraints excluded: chain e residue 48 GLN Chi-restraints excluded: chain e residue 68 ASN Chi-restraints excluded: chain e residue 80 MET Chi-restraints excluded: chain e residue 101 LEU Chi-restraints excluded: chain e residue 124 VAL Chi-restraints excluded: chain e residue 129 SER Chi-restraints excluded: chain e residue 149 THR Chi-restraints excluded: chain e residue 239 VAL Chi-restraints excluded: chain e residue 361 LYS Chi-restraints excluded: chain f residue 80 MET Chi-restraints excluded: chain f residue 101 LEU Chi-restraints excluded: chain f residue 124 VAL Chi-restraints excluded: chain f residue 149 THR Chi-restraints excluded: chain f residue 199 ILE Chi-restraints excluded: chain f residue 239 VAL Chi-restraints excluded: chain g residue 48 GLN Chi-restraints excluded: chain g residue 68 ASN Chi-restraints excluded: chain g residue 101 LEU Chi-restraints excluded: chain g residue 149 THR Chi-restraints excluded: chain g residue 174 THR Chi-restraints excluded: chain g residue 180 VAL Chi-restraints excluded: chain g residue 239 VAL Chi-restraints excluded: chain g residue 274 SER Chi-restraints excluded: chain g residue 325 LEU Chi-restraints excluded: chain h residue 80 MET Chi-restraints excluded: chain h residue 101 LEU Chi-restraints excluded: chain h residue 124 VAL Chi-restraints excluded: chain h residue 149 THR Chi-restraints excluded: chain h residue 170 VAL Chi-restraints excluded: chain h residue 174 THR Chi-restraints excluded: chain h residue 239 VAL Chi-restraints excluded: chain h residue 274 SER Chi-restraints excluded: chain i residue 80 MET Chi-restraints excluded: chain i residue 101 LEU Chi-restraints excluded: chain i residue 124 VAL Chi-restraints excluded: chain i residue 149 THR Chi-restraints excluded: chain i residue 199 ILE Chi-restraints excluded: chain i residue 239 VAL Chi-restraints excluded: chain j residue 48 GLN Chi-restraints excluded: chain j residue 68 ASN Chi-restraints excluded: chain j residue 101 LEU Chi-restraints excluded: chain j residue 149 THR Chi-restraints excluded: chain j residue 174 THR Chi-restraints excluded: chain j residue 180 VAL Chi-restraints excluded: chain j residue 239 VAL Chi-restraints excluded: chain j residue 274 SER Chi-restraints excluded: chain j residue 325 LEU Chi-restraints excluded: chain k residue 101 LEU Chi-restraints excluded: chain k residue 124 VAL Chi-restraints excluded: chain k residue 149 THR Chi-restraints excluded: chain k residue 174 THR Chi-restraints excluded: chain k residue 199 ILE Chi-restraints excluded: chain k residue 239 VAL Chi-restraints excluded: chain l residue 92 CYS Chi-restraints excluded: chain l residue 101 LEU Chi-restraints excluded: chain l residue 124 VAL Chi-restraints excluded: chain l residue 149 THR Chi-restraints excluded: chain l residue 174 THR Chi-restraints excluded: chain l residue 199 ILE Chi-restraints excluded: chain l residue 239 VAL Chi-restraints excluded: chain m residue 101 LEU Chi-restraints excluded: chain m residue 124 VAL Chi-restraints excluded: chain m residue 149 THR Chi-restraints excluded: chain m residue 174 THR Chi-restraints excluded: chain m residue 199 ILE Chi-restraints excluded: chain m residue 239 VAL Chi-restraints excluded: chain n residue 80 MET Chi-restraints excluded: chain n residue 101 LEU Chi-restraints excluded: chain n residue 124 VAL Chi-restraints excluded: chain n residue 138 LEU Chi-restraints excluded: chain n residue 149 THR Chi-restraints excluded: chain n residue 199 ILE Chi-restraints excluded: chain n residue 239 VAL Chi-restraints excluded: chain o residue 48 GLN Chi-restraints excluded: chain o residue 68 ASN Chi-restraints excluded: chain o residue 149 THR Chi-restraints excluded: chain o residue 174 THR Chi-restraints excluded: chain o residue 180 VAL Chi-restraints excluded: chain o residue 239 VAL Chi-restraints excluded: chain o residue 274 SER Chi-restraints excluded: chain o residue 279 ARG Chi-restraints excluded: chain o residue 325 LEU Chi-restraints excluded: chain p residue 80 MET Chi-restraints excluded: chain p residue 101 LEU Chi-restraints excluded: chain p residue 124 VAL Chi-restraints excluded: chain p residue 149 THR Chi-restraints excluded: chain p residue 174 THR Chi-restraints excluded: chain p residue 239 VAL Chi-restraints excluded: chain p residue 274 SER Chi-restraints excluded: chain q residue 80 MET Chi-restraints excluded: chain q residue 101 LEU Chi-restraints excluded: chain q residue 123 LYS Chi-restraints excluded: chain q residue 124 VAL Chi-restraints excluded: chain q residue 149 THR Chi-restraints excluded: chain q residue 199 ILE Chi-restraints excluded: chain q residue 239 VAL Chi-restraints excluded: chain r residue 48 GLN Chi-restraints excluded: chain r residue 68 ASN Chi-restraints excluded: chain r residue 101 LEU Chi-restraints excluded: chain r residue 149 THR Chi-restraints excluded: chain r residue 174 THR Chi-restraints excluded: chain r residue 180 VAL Chi-restraints excluded: chain r residue 239 VAL Chi-restraints excluded: chain r residue 274 SER Chi-restraints excluded: chain r residue 325 LEU Chi-restraints excluded: chain s residue 80 MET Chi-restraints excluded: chain s residue 101 LEU Chi-restraints excluded: chain s residue 124 VAL Chi-restraints excluded: chain s residue 149 THR Chi-restraints excluded: chain s residue 170 VAL Chi-restraints excluded: chain s residue 174 THR Chi-restraints excluded: chain s residue 239 VAL Chi-restraints excluded: chain s residue 274 SER Chi-restraints excluded: chain t residue 92 CYS Chi-restraints excluded: chain t residue 101 LEU Chi-restraints excluded: chain t residue 124 VAL Chi-restraints excluded: chain t residue 149 THR Chi-restraints excluded: chain t residue 174 THR Chi-restraints excluded: chain t residue 199 ILE Chi-restraints excluded: chain t residue 239 VAL Chi-restraints excluded: chain u residue 101 LEU Chi-restraints excluded: chain u residue 124 VAL Chi-restraints excluded: chain u residue 149 THR Chi-restraints excluded: chain u residue 174 THR Chi-restraints excluded: chain u residue 199 ILE Chi-restraints excluded: chain u residue 239 VAL Chi-restraints excluded: chain v residue 101 LEU Chi-restraints excluded: chain v residue 124 VAL Chi-restraints excluded: chain v residue 149 THR Chi-restraints excluded: chain v residue 174 THR Chi-restraints excluded: chain v residue 199 ILE Chi-restraints excluded: chain v residue 239 VAL Chi-restraints excluded: chain w residue 80 MET Chi-restraints excluded: chain w residue 101 LEU Chi-restraints excluded: chain w residue 124 VAL Chi-restraints excluded: chain w residue 149 THR Chi-restraints excluded: chain w residue 167 LEU Chi-restraints excluded: chain w residue 174 THR Chi-restraints excluded: chain w residue 239 VAL Chi-restraints excluded: chain w residue 274 SER Chi-restraints excluded: chain x residue 48 GLN Chi-restraints excluded: chain x residue 68 ASN Chi-restraints excluded: chain x residue 101 LEU Chi-restraints excluded: chain x residue 149 THR Chi-restraints excluded: chain x residue 174 THR Chi-restraints excluded: chain x residue 180 VAL Chi-restraints excluded: chain x residue 239 VAL Chi-restraints excluded: chain x residue 274 SER Chi-restraints excluded: chain x residue 325 LEU Chi-restraints excluded: chain y residue 48 GLN Chi-restraints excluded: chain y residue 80 MET Chi-restraints excluded: chain y residue 101 LEU Chi-restraints excluded: chain y residue 124 VAL Chi-restraints excluded: chain y residue 129 SER Chi-restraints excluded: chain y residue 149 THR Chi-restraints excluded: chain y residue 221 SER Chi-restraints excluded: chain y residue 239 VAL Chi-restraints excluded: chain z residue 48 GLN Chi-restraints excluded: chain z residue 80 MET Chi-restraints excluded: chain z residue 101 LEU Chi-restraints excluded: chain z residue 124 VAL Chi-restraints excluded: chain z residue 129 SER Chi-restraints excluded: chain z residue 149 THR Chi-restraints excluded: chain z residue 221 SER Chi-restraints excluded: chain z residue 239 VAL Chi-restraints excluded: chain 7 residue 48 GLN Chi-restraints excluded: chain 7 residue 80 MET Chi-restraints excluded: chain 7 residue 101 LEU Chi-restraints excluded: chain 7 residue 124 VAL Chi-restraints excluded: chain 7 residue 129 SER Chi-restraints excluded: chain 7 residue 149 THR Chi-restraints excluded: chain 7 residue 221 SER Chi-restraints excluded: chain 7 residue 239 VAL Chi-restraints excluded: chain 8 residue 80 MET Chi-restraints excluded: chain 8 residue 101 LEU Chi-restraints excluded: chain 8 residue 124 VAL Chi-restraints excluded: chain 8 residue 149 THR Chi-restraints excluded: chain 8 residue 199 ILE Chi-restraints excluded: chain 8 residue 239 VAL Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1860 random chunks: chunk 1497 optimal weight: 7.9990 chunk 1020 optimal weight: 0.0170 chunk 26 optimal weight: 0.0980 chunk 1338 optimal weight: 8.9990 chunk 741 optimal weight: 7.9990 chunk 1534 optimal weight: 5.9990 chunk 1242 optimal weight: 7.9990 chunk 2 optimal weight: 8.9990 chunk 918 optimal weight: 6.9990 chunk 1613 optimal weight: 6.9990 chunk 453 optimal weight: 2.9990 overall best weight: 3.2224 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 152 ASN ** A 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 317 ASN B 152 ASN ** B 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 236 ASN B 317 ASN C 152 ASN ** C 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 152 ASN ** D 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 312 ASN E 152 ASN E 213 GLN ** E 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 152 ASN F 317 ASN G 152 ASN G 213 GLN ** G 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 152 ASN ** H 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 312 ASN I 152 ASN ** I 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 152 ASN ** J 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 317 ASN K 152 ASN ** K 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 152 ASN ** L 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 236 ASN L 317 ASN M 152 ASN M 213 GLN ** M 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 152 ASN ** N 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 312 ASN O 152 ASN O 213 GLN ** O 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 152 ASN ** P 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 312 ASN Q 152 ASN ** Q 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 152 ASN ** R 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** R 317 ASN S 152 ASN ** S 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** S 317 ASN T 152 ASN ** T 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 152 ASN ** U 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** U 236 ASN U 317 ASN V 152 ASN ** V 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 152 ASN ** W 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 312 ASN X 152 ASN X 213 GLN ** X 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 152 ASN ** Y 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 312 ASN Z 152 ASN Z 213 GLN ** Z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 152 ASN ** 1 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 317 ASN 2 152 ASN ** 2 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 317 ASN 3 152 ASN 3 317 ASN 4 152 ASN ** 4 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 317 ASN 5 152 ASN ** 5 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 317 ASN 6 152 ASN ** 6 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 317 ASN a 152 ASN ** a 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 152 ASN b 213 GLN ** b 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 152 ASN ** c 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 312 ASN c 328 GLN d 152 ASN ** d 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 152 ASN ** e 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 312 ASN e 328 GLN f 152 ASN f 213 GLN ** f 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 152 ASN ** g 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 152 ASN ** h 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 317 ASN i 152 ASN i 213 GLN ** i 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 152 ASN ** j 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 152 ASN ** k 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** k 236 ASN k 317 ASN l 152 ASN ** l 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** l 317 ASN m 152 ASN ** m 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** m 236 ASN m 317 ASN n 152 ASN n 213 GLN ** n 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 152 ASN ** o 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 152 ASN p 317 ASN q 152 ASN q 213 GLN ** q 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 152 ASN ** r 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 152 ASN s 317 ASN t 152 ASN ** t 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** t 236 ASN t 317 ASN u 152 ASN ** u 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** u 317 ASN v 152 ASN ** v 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** v 317 ASN w 152 ASN ** w 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 317 ASN x 152 ASN ** x 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 152 ASN ** y 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 312 ASN z 152 ASN ** z 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 312 ASN 7 152 ASN ** 7 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 312 ASN 8 152 ASN 8 213 GLN ** 8 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 115 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8546 moved from start: 0.2674 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.007 0.057 155760 Z= 0.445 Angle : 0.659 7.693 211920 Z= 0.358 Chirality : 0.052 0.190 23220 Planarity : 0.004 0.044 27240 Dihedral : 6.676 58.737 20640 Min Nonbonded Distance : 2.052 Molprobity Statistics. All-atom Clashscore : 13.78 Ramachandran Plot: Outliers : 0.01 % Allowed : 6.74 % Favored : 93.26 % Rotamer: Outliers : 5.87 % Allowed : 13.66 % Favored : 80.48 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.19 (0.06), residues: 18780 helix: -2.88 (0.15), residues: 840 sheet: -0.42 (0.06), residues: 6180 loop : -0.81 (0.06), residues: 11760 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.018 0.002 TRP r 211 HIS 0.006 0.001 HIS D 159 PHE 0.021 0.003 PHE q 285 TYR 0.014 0.002 TYR J 210 ARG 0.010 0.001 ARG D 61 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 37560 Ramachandran restraints generated. 18780 Oldfield, 0 Emsley, 18780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 37560 Ramachandran restraints generated. 18780 Oldfield, 0 Emsley, 18780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3407 residues out of total 16980 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 996 poor density : 2411 time to evaluate : 13.198 Fit side-chains REVERT: B 80 MET cc_start: 0.9153 (ptt) cc_final: 0.8815 (ptt) REVERT: B 364 MET cc_start: 0.8691 (ptp) cc_final: 0.8364 (ptm) REVERT: C 48 GLN cc_start: 0.8513 (OUTLIER) cc_final: 0.8104 (mt0) REVERT: C 123 LYS cc_start: 0.8405 (OUTLIER) cc_final: 0.7968 (tptm) REVERT: D 48 GLN cc_start: 0.8694 (OUTLIER) cc_final: 0.8337 (mt0) REVERT: D 167 LEU cc_start: 0.9092 (OUTLIER) cc_final: 0.8632 (mt) REVERT: E 199 ILE cc_start: 0.9210 (OUTLIER) cc_final: 0.8895 (mt) REVERT: G 199 ILE cc_start: 0.9205 (OUTLIER) cc_final: 0.8888 (mt) REVERT: H 48 GLN cc_start: 0.8691 (OUTLIER) cc_final: 0.8336 (mt0) REVERT: H 167 LEU cc_start: 0.9097 (OUTLIER) cc_final: 0.8635 (mt) REVERT: I 48 GLN cc_start: 0.8512 (OUTLIER) cc_final: 0.8099 (mt0) REVERT: I 123 LYS cc_start: 0.8407 (OUTLIER) cc_final: 0.7974 (tptm) REVERT: J 80 MET cc_start: 0.9173 (ptt) cc_final: 0.8843 (ptt) REVERT: K 48 GLN cc_start: 0.8504 (OUTLIER) cc_final: 0.8109 (mt0) REVERT: K 123 LYS cc_start: 0.8419 (OUTLIER) cc_final: 0.7970 (tptm) REVERT: L 80 MET cc_start: 0.9159 (ptt) cc_final: 0.8817 (ptt) REVERT: M 199 ILE cc_start: 0.9200 (OUTLIER) cc_final: 0.8910 (mt) REVERT: N 48 GLN cc_start: 0.8692 (OUTLIER) cc_final: 0.8340 (mt0) REVERT: N 167 LEU cc_start: 0.9093 (OUTLIER) cc_final: 0.8635 (mt) REVERT: O 123 LYS cc_start: 0.8362 (OUTLIER) cc_final: 0.8122 (ttpt) REVERT: O 199 ILE cc_start: 0.9201 (OUTLIER) cc_final: 0.8910 (mt) REVERT: P 48 GLN cc_start: 0.8692 (OUTLIER) cc_final: 0.8337 (mt0) REVERT: P 167 LEU cc_start: 0.9092 (OUTLIER) cc_final: 0.8635 (mt) REVERT: Q 48 GLN cc_start: 0.8505 (OUTLIER) cc_final: 0.8097 (mt0) REVERT: Q 123 LYS cc_start: 0.8409 (OUTLIER) cc_final: 0.7968 (tptm) REVERT: R 80 MET cc_start: 0.9159 (ptt) cc_final: 0.8815 (ptt) REVERT: R 364 MET cc_start: 0.8685 (ptp) cc_final: 0.8368 (ptm) REVERT: S 80 MET cc_start: 0.9167 (ptt) cc_final: 0.8834 (ptt) REVERT: T 48 GLN cc_start: 0.8517 (OUTLIER) cc_final: 0.8112 (mt0) REVERT: T 123 LYS cc_start: 0.8407 (OUTLIER) cc_final: 0.7964 (tptm) REVERT: U 80 MET cc_start: 0.9151 (ptt) cc_final: 0.8832 (ptt) REVERT: V 48 GLN cc_start: 0.8507 (OUTLIER) cc_final: 0.8095 (mt0) REVERT: V 123 LYS cc_start: 0.8414 (OUTLIER) cc_final: 0.7975 (tptm) REVERT: W 48 GLN cc_start: 0.8692 (OUTLIER) cc_final: 0.8338 (mt0) REVERT: W 167 LEU cc_start: 0.9092 (OUTLIER) cc_final: 0.8639 (mt) REVERT: X 199 ILE cc_start: 0.9207 (OUTLIER) cc_final: 0.8893 (mt) REVERT: Y 48 GLN cc_start: 0.8699 (OUTLIER) cc_final: 0.8361 (mt0) REVERT: Y 167 LEU cc_start: 0.9089 (OUTLIER) cc_final: 0.8650 (mt) REVERT: Z 199 ILE cc_start: 0.9206 (OUTLIER) cc_final: 0.8892 (mt) REVERT: a 48 GLN cc_start: 0.8501 (OUTLIER) cc_final: 0.8101 (mt0) REVERT: a 89 ARG cc_start: 0.8418 (OUTLIER) cc_final: 0.8164 (ttm170) REVERT: a 123 LYS cc_start: 0.8399 (OUTLIER) cc_final: 0.7968 (tptm) REVERT: b 199 ILE cc_start: 0.9195 (OUTLIER) cc_final: 0.8900 (mt) REVERT: c 48 GLN cc_start: 0.8700 (OUTLIER) cc_final: 0.8357 (mt0) REVERT: c 167 LEU cc_start: 0.9099 (OUTLIER) cc_final: 0.8650 (mt) REVERT: d 48 GLN cc_start: 0.8678 (OUTLIER) cc_final: 0.8340 (mt0) REVERT: d 167 LEU cc_start: 0.9094 (OUTLIER) cc_final: 0.8631 (mt) REVERT: e 48 GLN cc_start: 0.8699 (OUTLIER) cc_final: 0.8376 (mt0) REVERT: f 199 ILE cc_start: 0.9205 (OUTLIER) cc_final: 0.8888 (mt) REVERT: g 48 GLN cc_start: 0.8504 (OUTLIER) cc_final: 0.8108 (mt0) REVERT: g 123 LYS cc_start: 0.8404 (OUTLIER) cc_final: 0.7958 (tptm) REVERT: i 199 ILE cc_start: 0.9205 (OUTLIER) cc_final: 0.8888 (mt) REVERT: j 48 GLN cc_start: 0.8512 (OUTLIER) cc_final: 0.8098 (mt0) REVERT: j 123 LYS cc_start: 0.8410 (OUTLIER) cc_final: 0.7973 (tptm) REVERT: k 80 MET cc_start: 0.9156 (ptt) cc_final: 0.8827 (ptt) REVERT: k 286 LYS cc_start: 0.8640 (mtpt) cc_final: 0.8414 (mtmt) REVERT: l 80 MET cc_start: 0.9175 (ptt) cc_final: 0.8836 (ptt) REVERT: l 364 MET cc_start: 0.8684 (ptp) cc_final: 0.8420 (ptm) REVERT: m 80 MET cc_start: 0.9155 (ptt) cc_final: 0.8823 (ptt) REVERT: n 138 LEU cc_start: 0.6408 (OUTLIER) cc_final: 0.6176 (mm) REVERT: n 199 ILE cc_start: 0.9196 (OUTLIER) cc_final: 0.8905 (mt) REVERT: o 48 GLN cc_start: 0.8503 (OUTLIER) cc_final: 0.8089 (mt0) REVERT: o 123 LYS cc_start: 0.8395 (OUTLIER) cc_final: 0.7963 (tptm) REVERT: q 199 ILE cc_start: 0.9207 (OUTLIER) cc_final: 0.8893 (mt) REVERT: r 48 GLN cc_start: 0.8503 (OUTLIER) cc_final: 0.8107 (mt0) REVERT: r 123 LYS cc_start: 0.8424 (OUTLIER) cc_final: 0.7979 (tptm) REVERT: t 80 MET cc_start: 0.9154 (ptt) cc_final: 0.8823 (ptt) REVERT: t 364 MET cc_start: 0.8690 (ptp) cc_final: 0.8426 (ptm) REVERT: u 80 MET cc_start: 0.9159 (ptt) cc_final: 0.8816 (ptt) REVERT: u 364 MET cc_start: 0.8691 (ptp) cc_final: 0.8425 (ptm) REVERT: v 80 MET cc_start: 0.9176 (ptt) cc_final: 0.8839 (ptt) REVERT: x 48 GLN cc_start: 0.8504 (OUTLIER) cc_final: 0.8090 (mt0) REVERT: x 123 LYS cc_start: 0.8404 (OUTLIER) cc_final: 0.7961 (tptm) REVERT: y 48 GLN cc_start: 0.8694 (OUTLIER) cc_final: 0.8341 (mt0) REVERT: y 167 LEU cc_start: 0.9092 (OUTLIER) cc_final: 0.8639 (mt) REVERT: z 48 GLN cc_start: 0.8696 (OUTLIER) cc_final: 0.8337 (mt0) REVERT: z 167 LEU cc_start: 0.9095 (OUTLIER) cc_final: 0.8640 (mt) REVERT: 7 48 GLN cc_start: 0.8699 (OUTLIER) cc_final: 0.8370 (mt0) REVERT: 7 167 LEU cc_start: 0.9093 (OUTLIER) cc_final: 0.8651 (mt) REVERT: 8 199 ILE cc_start: 0.9201 (OUTLIER) cc_final: 0.8910 (mt) outliers start: 996 outliers final: 535 residues processed: 3112 average time/residue: 2.1010 time to fit residues: 9542.6832 Evaluate side-chains 2906 residues out of total 16980 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 597 poor density : 2309 time to evaluate : 13.014 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 80 MET Chi-restraints excluded: chain A residue 92 CYS Chi-restraints excluded: chain A residue 101 LEU Chi-restraints excluded: chain A residue 124 VAL Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 152 ASN Chi-restraints excluded: chain A residue 163 ASP Chi-restraints excluded: chain A residue 170 VAL Chi-restraints excluded: chain A residue 174 THR Chi-restraints excluded: chain A residue 239 VAL Chi-restraints excluded: chain A residue 274 SER Chi-restraints excluded: chain B residue 48 GLN Chi-restraints excluded: chain B residue 92 CYS Chi-restraints excluded: chain B residue 101 LEU Chi-restraints excluded: chain B residue 124 VAL Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 174 THR Chi-restraints excluded: chain B residue 199 ILE Chi-restraints excluded: chain B residue 239 VAL Chi-restraints excluded: chain B residue 263 VAL Chi-restraints excluded: chain C residue 48 GLN Chi-restraints excluded: chain C residue 123 LYS Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 157 MET Chi-restraints excluded: chain C residue 174 THR Chi-restraints excluded: chain C residue 180 VAL Chi-restraints excluded: chain C residue 182 SER Chi-restraints excluded: chain C residue 239 VAL Chi-restraints excluded: chain C residue 274 SER Chi-restraints excluded: chain C residue 312 ASN Chi-restraints excluded: chain C residue 325 LEU Chi-restraints excluded: chain D residue 48 GLN Chi-restraints excluded: chain D residue 68 ASN Chi-restraints excluded: chain D residue 80 MET Chi-restraints excluded: chain D residue 92 CYS Chi-restraints excluded: chain D residue 124 VAL Chi-restraints excluded: chain D residue 129 SER Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 167 LEU Chi-restraints excluded: chain D residue 221 SER Chi-restraints excluded: chain D residue 239 VAL Chi-restraints excluded: chain D residue 263 VAL Chi-restraints excluded: chain E residue 80 MET Chi-restraints excluded: chain E residue 92 CYS Chi-restraints excluded: chain E residue 124 VAL Chi-restraints excluded: chain E residue 149 THR Chi-restraints excluded: chain E residue 168 SER Chi-restraints excluded: chain E residue 199 ILE Chi-restraints excluded: chain E residue 239 VAL Chi-restraints excluded: chain E residue 340 LYS Chi-restraints excluded: chain F residue 80 MET Chi-restraints excluded: chain F residue 92 CYS Chi-restraints excluded: chain F residue 101 LEU Chi-restraints excluded: chain F residue 124 VAL Chi-restraints excluded: chain F residue 149 THR Chi-restraints excluded: chain F residue 167 LEU Chi-restraints excluded: chain F residue 170 VAL Chi-restraints excluded: chain F residue 174 THR Chi-restraints excluded: chain F residue 239 VAL Chi-restraints excluded: chain F residue 274 SER Chi-restraints excluded: chain G residue 80 MET Chi-restraints excluded: chain G residue 92 CYS Chi-restraints excluded: chain G residue 124 VAL Chi-restraints excluded: chain G residue 149 THR Chi-restraints excluded: chain G residue 168 SER Chi-restraints excluded: chain G residue 199 ILE Chi-restraints excluded: chain G residue 239 VAL Chi-restraints excluded: chain G residue 340 LYS Chi-restraints excluded: chain H residue 48 GLN Chi-restraints excluded: chain H residue 68 ASN Chi-restraints excluded: chain H residue 80 MET Chi-restraints excluded: chain H residue 92 CYS Chi-restraints excluded: chain H residue 124 VAL Chi-restraints excluded: chain H residue 129 SER Chi-restraints excluded: chain H residue 149 THR Chi-restraints excluded: chain H residue 167 LEU Chi-restraints excluded: chain H residue 221 SER Chi-restraints excluded: chain H residue 239 VAL Chi-restraints excluded: chain H residue 263 VAL Chi-restraints excluded: chain I residue 48 GLN Chi-restraints excluded: chain I residue 123 LYS Chi-restraints excluded: chain I residue 149 THR Chi-restraints excluded: chain I residue 157 MET Chi-restraints excluded: chain I residue 174 THR Chi-restraints excluded: chain I residue 180 VAL Chi-restraints excluded: chain I residue 182 SER Chi-restraints excluded: chain I residue 239 VAL Chi-restraints excluded: chain I residue 312 ASN Chi-restraints excluded: chain I residue 325 LEU Chi-restraints excluded: chain J residue 48 GLN Chi-restraints excluded: chain J residue 92 CYS Chi-restraints excluded: chain J residue 101 LEU Chi-restraints excluded: chain J residue 124 VAL Chi-restraints excluded: chain J residue 149 THR Chi-restraints excluded: chain J residue 174 THR Chi-restraints excluded: chain J residue 199 ILE Chi-restraints excluded: chain J residue 239 VAL Chi-restraints excluded: chain J residue 263 VAL Chi-restraints excluded: chain K residue 48 GLN Chi-restraints excluded: chain K residue 123 LYS Chi-restraints excluded: chain K residue 149 THR Chi-restraints excluded: chain K residue 157 MET Chi-restraints excluded: chain K residue 174 THR Chi-restraints excluded: chain K residue 180 VAL Chi-restraints excluded: chain K residue 182 SER Chi-restraints excluded: chain K residue 239 VAL Chi-restraints excluded: chain K residue 274 SER Chi-restraints excluded: chain K residue 312 ASN Chi-restraints excluded: chain K residue 325 LEU Chi-restraints excluded: chain L residue 48 GLN Chi-restraints excluded: chain L residue 92 CYS Chi-restraints excluded: chain L residue 101 LEU Chi-restraints excluded: chain L residue 124 VAL Chi-restraints excluded: chain L residue 149 THR Chi-restraints excluded: chain L residue 174 THR Chi-restraints excluded: chain L residue 199 ILE Chi-restraints excluded: chain L residue 239 VAL Chi-restraints excluded: chain L residue 263 VAL Chi-restraints excluded: chain M residue 80 MET Chi-restraints excluded: chain M residue 92 CYS Chi-restraints excluded: chain M residue 124 VAL Chi-restraints excluded: chain M residue 149 THR Chi-restraints excluded: chain M residue 168 SER Chi-restraints excluded: chain M residue 199 ILE Chi-restraints excluded: chain M residue 239 VAL Chi-restraints excluded: chain M residue 340 LYS Chi-restraints excluded: chain N residue 48 GLN Chi-restraints excluded: chain N residue 68 ASN Chi-restraints excluded: chain N residue 80 MET Chi-restraints excluded: chain N residue 92 CYS Chi-restraints excluded: chain N residue 124 VAL Chi-restraints excluded: chain N residue 129 SER Chi-restraints excluded: chain N residue 149 THR Chi-restraints excluded: chain N residue 167 LEU Chi-restraints excluded: chain N residue 221 SER Chi-restraints excluded: chain N residue 239 VAL Chi-restraints excluded: chain N residue 263 VAL Chi-restraints excluded: chain O residue 80 MET Chi-restraints excluded: chain O residue 92 CYS Chi-restraints excluded: chain O residue 123 LYS Chi-restraints excluded: chain O residue 124 VAL Chi-restraints excluded: chain O residue 149 THR Chi-restraints excluded: chain O residue 168 SER Chi-restraints excluded: chain O residue 199 ILE Chi-restraints excluded: chain O residue 239 VAL Chi-restraints excluded: chain O residue 340 LYS Chi-restraints excluded: chain P residue 48 GLN Chi-restraints excluded: chain P residue 68 ASN Chi-restraints excluded: chain P residue 80 MET Chi-restraints excluded: chain P residue 92 CYS Chi-restraints excluded: chain P residue 124 VAL Chi-restraints excluded: chain P residue 129 SER Chi-restraints excluded: chain P residue 149 THR Chi-restraints excluded: chain P residue 167 LEU Chi-restraints excluded: chain P residue 221 SER Chi-restraints excluded: chain P residue 239 VAL Chi-restraints excluded: chain P residue 263 VAL Chi-restraints excluded: chain P residue 361 LYS Chi-restraints excluded: chain Q residue 48 GLN Chi-restraints excluded: chain Q residue 123 LYS Chi-restraints excluded: chain Q residue 149 THR Chi-restraints excluded: chain Q residue 157 MET Chi-restraints excluded: chain Q residue 174 THR Chi-restraints excluded: chain Q residue 180 VAL Chi-restraints excluded: chain Q residue 182 SER Chi-restraints excluded: chain Q residue 239 VAL Chi-restraints excluded: chain Q residue 274 SER Chi-restraints excluded: chain Q residue 312 ASN Chi-restraints excluded: chain Q residue 325 LEU Chi-restraints excluded: chain R residue 48 GLN Chi-restraints excluded: chain R residue 92 CYS Chi-restraints excluded: chain R residue 101 LEU Chi-restraints excluded: chain R residue 124 VAL Chi-restraints excluded: chain R residue 149 THR Chi-restraints excluded: chain R residue 174 THR Chi-restraints excluded: chain R residue 199 ILE Chi-restraints excluded: chain R residue 239 VAL Chi-restraints excluded: chain R residue 263 VAL Chi-restraints excluded: chain S residue 48 GLN Chi-restraints excluded: chain S residue 92 CYS Chi-restraints excluded: chain S residue 101 LEU Chi-restraints excluded: chain S residue 124 VAL Chi-restraints excluded: chain S residue 149 THR Chi-restraints excluded: chain S residue 174 THR Chi-restraints excluded: chain S residue 199 ILE Chi-restraints excluded: chain S residue 239 VAL Chi-restraints excluded: chain S residue 263 VAL Chi-restraints excluded: chain T residue 48 GLN Chi-restraints excluded: chain T residue 123 LYS Chi-restraints excluded: chain T residue 149 THR Chi-restraints excluded: chain T residue 157 MET Chi-restraints excluded: chain T residue 174 THR Chi-restraints excluded: chain T residue 180 VAL Chi-restraints excluded: chain T residue 182 SER Chi-restraints excluded: chain T residue 239 VAL Chi-restraints excluded: chain T residue 274 SER Chi-restraints excluded: chain T residue 312 ASN Chi-restraints excluded: chain T residue 325 LEU Chi-restraints excluded: chain U residue 48 GLN Chi-restraints excluded: chain U residue 92 CYS Chi-restraints excluded: chain U residue 101 LEU Chi-restraints excluded: chain U residue 124 VAL Chi-restraints excluded: chain U residue 149 THR Chi-restraints excluded: chain U residue 174 THR Chi-restraints excluded: chain U residue 199 ILE Chi-restraints excluded: chain U residue 239 VAL Chi-restraints excluded: chain U residue 263 VAL Chi-restraints excluded: chain V residue 48 GLN Chi-restraints excluded: chain V residue 101 LEU Chi-restraints excluded: chain V residue 123 LYS Chi-restraints excluded: chain V residue 149 THR Chi-restraints excluded: chain V residue 157 MET Chi-restraints excluded: chain V residue 174 THR Chi-restraints excluded: chain V residue 180 VAL Chi-restraints excluded: chain V residue 182 SER Chi-restraints excluded: chain V residue 239 VAL Chi-restraints excluded: chain V residue 274 SER Chi-restraints excluded: chain V residue 312 ASN Chi-restraints excluded: chain V residue 325 LEU Chi-restraints excluded: chain W residue 48 GLN Chi-restraints excluded: chain W residue 68 ASN Chi-restraints excluded: chain W residue 80 MET Chi-restraints excluded: chain W residue 92 CYS Chi-restraints excluded: chain W residue 124 VAL Chi-restraints excluded: chain W residue 129 SER Chi-restraints excluded: chain W residue 149 THR Chi-restraints excluded: chain W residue 167 LEU Chi-restraints excluded: chain W residue 221 SER Chi-restraints excluded: chain W residue 239 VAL Chi-restraints excluded: chain W residue 263 VAL Chi-restraints excluded: chain X residue 80 MET Chi-restraints excluded: chain X residue 92 CYS Chi-restraints excluded: chain X residue 124 VAL Chi-restraints excluded: chain X residue 149 THR Chi-restraints excluded: chain X residue 168 SER Chi-restraints excluded: chain X residue 199 ILE Chi-restraints excluded: chain X residue 239 VAL Chi-restraints excluded: chain X residue 340 LYS Chi-restraints excluded: chain Y residue 48 GLN Chi-restraints excluded: chain Y residue 68 ASN Chi-restraints excluded: chain Y residue 80 MET Chi-restraints excluded: chain Y residue 92 CYS Chi-restraints excluded: chain Y residue 124 VAL Chi-restraints excluded: chain Y residue 129 SER Chi-restraints excluded: chain Y residue 149 THR Chi-restraints excluded: chain Y residue 167 LEU Chi-restraints excluded: chain Y residue 221 SER Chi-restraints excluded: chain Y residue 239 VAL Chi-restraints excluded: chain Z residue 80 MET Chi-restraints excluded: chain Z residue 92 CYS Chi-restraints excluded: chain Z residue 124 VAL Chi-restraints excluded: chain Z residue 149 THR Chi-restraints excluded: chain Z residue 168 SER Chi-restraints excluded: chain Z residue 199 ILE Chi-restraints excluded: chain Z residue 239 VAL Chi-restraints excluded: chain Z residue 340 LYS Chi-restraints excluded: chain 1 residue 80 MET Chi-restraints excluded: chain 1 residue 92 CYS Chi-restraints excluded: chain 1 residue 101 LEU Chi-restraints excluded: chain 1 residue 124 VAL Chi-restraints excluded: chain 1 residue 149 THR Chi-restraints excluded: chain 1 residue 152 ASN Chi-restraints excluded: chain 1 residue 163 ASP Chi-restraints excluded: chain 1 residue 167 LEU Chi-restraints excluded: chain 1 residue 170 VAL Chi-restraints excluded: chain 1 residue 174 THR Chi-restraints excluded: chain 1 residue 239 VAL Chi-restraints excluded: chain 1 residue 263 VAL Chi-restraints excluded: chain 1 residue 274 SER Chi-restraints excluded: chain 2 residue 80 MET Chi-restraints excluded: chain 2 residue 92 CYS Chi-restraints excluded: chain 2 residue 101 LEU Chi-restraints excluded: chain 2 residue 124 VAL Chi-restraints excluded: chain 2 residue 149 THR Chi-restraints excluded: chain 2 residue 163 ASP Chi-restraints excluded: chain 2 residue 167 LEU Chi-restraints excluded: chain 2 residue 170 VAL Chi-restraints excluded: chain 2 residue 174 THR Chi-restraints excluded: chain 2 residue 239 VAL Chi-restraints excluded: chain 2 residue 274 SER Chi-restraints excluded: chain 3 residue 80 MET Chi-restraints excluded: chain 3 residue 92 CYS Chi-restraints excluded: chain 3 residue 101 LEU Chi-restraints excluded: chain 3 residue 124 VAL Chi-restraints excluded: chain 3 residue 149 THR Chi-restraints excluded: chain 3 residue 163 ASP Chi-restraints excluded: chain 3 residue 167 LEU Chi-restraints excluded: chain 3 residue 170 VAL Chi-restraints excluded: chain 3 residue 174 THR Chi-restraints excluded: chain 3 residue 239 VAL Chi-restraints excluded: chain 3 residue 274 SER Chi-restraints excluded: chain 4 residue 80 MET Chi-restraints excluded: chain 4 residue 92 CYS Chi-restraints excluded: chain 4 residue 101 LEU Chi-restraints excluded: chain 4 residue 124 VAL Chi-restraints excluded: chain 4 residue 149 THR Chi-restraints excluded: chain 4 residue 163 ASP Chi-restraints excluded: chain 4 residue 167 LEU Chi-restraints excluded: chain 4 residue 170 VAL Chi-restraints excluded: chain 4 residue 174 THR Chi-restraints excluded: chain 4 residue 239 VAL Chi-restraints excluded: chain 4 residue 274 SER Chi-restraints excluded: chain 5 residue 80 MET Chi-restraints excluded: chain 5 residue 92 CYS Chi-restraints excluded: chain 5 residue 101 LEU Chi-restraints excluded: chain 5 residue 124 VAL Chi-restraints excluded: chain 5 residue 149 THR Chi-restraints excluded: chain 5 residue 152 ASN Chi-restraints excluded: chain 5 residue 167 LEU Chi-restraints excluded: chain 5 residue 170 VAL Chi-restraints excluded: chain 5 residue 174 THR Chi-restraints excluded: chain 5 residue 239 VAL Chi-restraints excluded: chain 5 residue 274 SER Chi-restraints excluded: chain 6 residue 80 MET Chi-restraints excluded: chain 6 residue 92 CYS Chi-restraints excluded: chain 6 residue 101 LEU Chi-restraints excluded: chain 6 residue 124 VAL Chi-restraints excluded: chain 6 residue 149 THR Chi-restraints excluded: chain 6 residue 167 LEU Chi-restraints excluded: chain 6 residue 174 THR Chi-restraints excluded: chain 6 residue 239 VAL Chi-restraints excluded: chain 6 residue 263 VAL Chi-restraints excluded: chain 6 residue 274 SER Chi-restraints excluded: chain a residue 48 GLN Chi-restraints excluded: chain a residue 89 ARG Chi-restraints excluded: chain a residue 123 LYS Chi-restraints excluded: chain a residue 149 THR Chi-restraints excluded: chain a residue 157 MET Chi-restraints excluded: chain a residue 174 THR Chi-restraints excluded: chain a residue 180 VAL Chi-restraints excluded: chain a residue 182 SER Chi-restraints excluded: chain a residue 239 VAL Chi-restraints excluded: chain a residue 274 SER Chi-restraints excluded: chain a residue 312 ASN Chi-restraints excluded: chain a residue 325 LEU Chi-restraints excluded: chain b residue 80 MET Chi-restraints excluded: chain b residue 92 CYS Chi-restraints excluded: chain b residue 124 VAL Chi-restraints excluded: chain b residue 149 THR Chi-restraints excluded: chain b residue 168 SER Chi-restraints excluded: chain b residue 199 ILE Chi-restraints excluded: chain b residue 239 VAL Chi-restraints excluded: chain b residue 340 LYS Chi-restraints excluded: chain c residue 48 GLN Chi-restraints excluded: chain c residue 80 MET Chi-restraints excluded: chain c residue 92 CYS Chi-restraints excluded: chain c residue 124 VAL Chi-restraints excluded: chain c residue 129 SER Chi-restraints excluded: chain c residue 149 THR Chi-restraints excluded: chain c residue 167 LEU Chi-restraints excluded: chain c residue 221 SER Chi-restraints excluded: chain c residue 239 VAL Chi-restraints excluded: chain d residue 48 GLN Chi-restraints excluded: chain d residue 68 ASN Chi-restraints excluded: chain d residue 80 MET Chi-restraints excluded: chain d residue 92 CYS Chi-restraints excluded: chain d residue 124 VAL Chi-restraints excluded: chain d residue 129 SER Chi-restraints excluded: chain d residue 149 THR Chi-restraints excluded: chain d residue 167 LEU Chi-restraints excluded: chain d residue 221 SER Chi-restraints excluded: chain d residue 239 VAL Chi-restraints excluded: chain d residue 263 VAL Chi-restraints excluded: chain e residue 48 GLN Chi-restraints excluded: chain e residue 68 ASN Chi-restraints excluded: chain e residue 80 MET Chi-restraints excluded: chain e residue 92 CYS Chi-restraints excluded: chain e residue 124 VAL Chi-restraints excluded: chain e residue 129 SER Chi-restraints excluded: chain e residue 149 THR Chi-restraints excluded: chain e residue 239 VAL Chi-restraints excluded: chain e residue 263 VAL Chi-restraints excluded: chain e residue 361 LYS Chi-restraints excluded: chain f residue 80 MET Chi-restraints excluded: chain f residue 92 CYS Chi-restraints excluded: chain f residue 124 VAL Chi-restraints excluded: chain f residue 149 THR Chi-restraints excluded: chain f residue 168 SER Chi-restraints excluded: chain f residue 199 ILE Chi-restraints excluded: chain f residue 239 VAL Chi-restraints excluded: chain f residue 340 LYS Chi-restraints excluded: chain g residue 48 GLN Chi-restraints excluded: chain g residue 123 LYS Chi-restraints excluded: chain g residue 149 THR Chi-restraints excluded: chain g residue 157 MET Chi-restraints excluded: chain g residue 174 THR Chi-restraints excluded: chain g residue 180 VAL Chi-restraints excluded: chain g residue 182 SER Chi-restraints excluded: chain g residue 239 VAL Chi-restraints excluded: chain g residue 274 SER Chi-restraints excluded: chain g residue 312 ASN Chi-restraints excluded: chain g residue 325 LEU Chi-restraints excluded: chain h residue 80 MET Chi-restraints excluded: chain h residue 92 CYS Chi-restraints excluded: chain h residue 101 LEU Chi-restraints excluded: chain h residue 124 VAL Chi-restraints excluded: chain h residue 149 THR Chi-restraints excluded: chain h residue 152 ASN Chi-restraints excluded: chain h residue 167 LEU Chi-restraints excluded: chain h residue 170 VAL Chi-restraints excluded: chain h residue 174 THR Chi-restraints excluded: chain h residue 239 VAL Chi-restraints excluded: chain h residue 263 VAL Chi-restraints excluded: chain h residue 274 SER Chi-restraints excluded: chain i residue 80 MET Chi-restraints excluded: chain i residue 92 CYS Chi-restraints excluded: chain i residue 124 VAL Chi-restraints excluded: chain i residue 149 THR Chi-restraints excluded: chain i residue 168 SER Chi-restraints excluded: chain i residue 199 ILE Chi-restraints excluded: chain i residue 239 VAL Chi-restraints excluded: chain i residue 340 LYS Chi-restraints excluded: chain j residue 48 GLN Chi-restraints excluded: chain j residue 123 LYS Chi-restraints excluded: chain j residue 149 THR Chi-restraints excluded: chain j residue 157 MET Chi-restraints excluded: chain j residue 174 THR Chi-restraints excluded: chain j residue 180 VAL Chi-restraints excluded: chain j residue 182 SER Chi-restraints excluded: chain j residue 239 VAL Chi-restraints excluded: chain j residue 274 SER Chi-restraints excluded: chain j residue 312 ASN Chi-restraints excluded: chain j residue 325 LEU Chi-restraints excluded: chain k residue 48 GLN Chi-restraints excluded: chain k residue 92 CYS Chi-restraints excluded: chain k residue 101 LEU Chi-restraints excluded: chain k residue 124 VAL Chi-restraints excluded: chain k residue 149 THR Chi-restraints excluded: chain k residue 174 THR Chi-restraints excluded: chain k residue 199 ILE Chi-restraints excluded: chain k residue 239 VAL Chi-restraints excluded: chain k residue 263 VAL Chi-restraints excluded: chain l residue 48 GLN Chi-restraints excluded: chain l residue 92 CYS Chi-restraints excluded: chain l residue 101 LEU Chi-restraints excluded: chain l residue 124 VAL Chi-restraints excluded: chain l residue 149 THR Chi-restraints excluded: chain l residue 174 THR Chi-restraints excluded: chain l residue 199 ILE Chi-restraints excluded: chain l residue 239 VAL Chi-restraints excluded: chain l residue 263 VAL Chi-restraints excluded: chain m residue 48 GLN Chi-restraints excluded: chain m residue 92 CYS Chi-restraints excluded: chain m residue 101 LEU Chi-restraints excluded: chain m residue 124 VAL Chi-restraints excluded: chain m residue 149 THR Chi-restraints excluded: chain m residue 174 THR Chi-restraints excluded: chain m residue 199 ILE Chi-restraints excluded: chain m residue 239 VAL Chi-restraints excluded: chain m residue 263 VAL Chi-restraints excluded: chain n residue 80 MET Chi-restraints excluded: chain n residue 92 CYS Chi-restraints excluded: chain n residue 124 VAL Chi-restraints excluded: chain n residue 138 LEU Chi-restraints excluded: chain n residue 149 THR Chi-restraints excluded: chain n residue 168 SER Chi-restraints excluded: chain n residue 199 ILE Chi-restraints excluded: chain n residue 239 VAL Chi-restraints excluded: chain n residue 340 LYS Chi-restraints excluded: chain o residue 48 GLN Chi-restraints excluded: chain o residue 101 LEU Chi-restraints excluded: chain o residue 123 LYS Chi-restraints excluded: chain o residue 149 THR Chi-restraints excluded: chain o residue 157 MET Chi-restraints excluded: chain o residue 174 THR Chi-restraints excluded: chain o residue 180 VAL Chi-restraints excluded: chain o residue 182 SER Chi-restraints excluded: chain o residue 239 VAL Chi-restraints excluded: chain o residue 312 ASN Chi-restraints excluded: chain o residue 325 LEU Chi-restraints excluded: chain p residue 80 MET Chi-restraints excluded: chain p residue 92 CYS Chi-restraints excluded: chain p residue 101 LEU Chi-restraints excluded: chain p residue 124 VAL Chi-restraints excluded: chain p residue 149 THR Chi-restraints excluded: chain p residue 152 ASN Chi-restraints excluded: chain p residue 167 LEU Chi-restraints excluded: chain p residue 174 THR Chi-restraints excluded: chain p residue 239 VAL Chi-restraints excluded: chain p residue 274 SER Chi-restraints excluded: chain q residue 80 MET Chi-restraints excluded: chain q residue 92 CYS Chi-restraints excluded: chain q residue 124 VAL Chi-restraints excluded: chain q residue 149 THR Chi-restraints excluded: chain q residue 168 SER Chi-restraints excluded: chain q residue 199 ILE Chi-restraints excluded: chain q residue 239 VAL Chi-restraints excluded: chain q residue 340 LYS Chi-restraints excluded: chain r residue 48 GLN Chi-restraints excluded: chain r residue 123 LYS Chi-restraints excluded: chain r residue 149 THR Chi-restraints excluded: chain r residue 157 MET Chi-restraints excluded: chain r residue 174 THR Chi-restraints excluded: chain r residue 180 VAL Chi-restraints excluded: chain r residue 182 SER Chi-restraints excluded: chain r residue 239 VAL Chi-restraints excluded: chain r residue 274 SER Chi-restraints excluded: chain r residue 312 ASN Chi-restraints excluded: chain r residue 325 LEU Chi-restraints excluded: chain s residue 80 MET Chi-restraints excluded: chain s residue 92 CYS Chi-restraints excluded: chain s residue 101 LEU Chi-restraints excluded: chain s residue 124 VAL Chi-restraints excluded: chain s residue 149 THR Chi-restraints excluded: chain s residue 152 ASN Chi-restraints excluded: chain s residue 167 LEU Chi-restraints excluded: chain s residue 170 VAL Chi-restraints excluded: chain s residue 174 THR Chi-restraints excluded: chain s residue 239 VAL Chi-restraints excluded: chain s residue 274 SER Chi-restraints excluded: chain t residue 48 GLN Chi-restraints excluded: chain t residue 92 CYS Chi-restraints excluded: chain t residue 101 LEU Chi-restraints excluded: chain t residue 124 VAL Chi-restraints excluded: chain t residue 149 THR Chi-restraints excluded: chain t residue 174 THR Chi-restraints excluded: chain t residue 199 ILE Chi-restraints excluded: chain t residue 239 VAL Chi-restraints excluded: chain t residue 263 VAL Chi-restraints excluded: chain u residue 48 GLN Chi-restraints excluded: chain u residue 92 CYS Chi-restraints excluded: chain u residue 101 LEU Chi-restraints excluded: chain u residue 124 VAL Chi-restraints excluded: chain u residue 149 THR Chi-restraints excluded: chain u residue 174 THR Chi-restraints excluded: chain u residue 199 ILE Chi-restraints excluded: chain u residue 239 VAL Chi-restraints excluded: chain u residue 263 VAL Chi-restraints excluded: chain v residue 48 GLN Chi-restraints excluded: chain v residue 92 CYS Chi-restraints excluded: chain v residue 101 LEU Chi-restraints excluded: chain v residue 124 VAL Chi-restraints excluded: chain v residue 149 THR Chi-restraints excluded: chain v residue 174 THR Chi-restraints excluded: chain v residue 199 ILE Chi-restraints excluded: chain v residue 239 VAL Chi-restraints excluded: chain v residue 263 VAL Chi-restraints excluded: chain w residue 80 MET Chi-restraints excluded: chain w residue 92 CYS Chi-restraints excluded: chain w residue 101 LEU Chi-restraints excluded: chain w residue 124 VAL Chi-restraints excluded: chain w residue 149 THR Chi-restraints excluded: chain w residue 152 ASN Chi-restraints excluded: chain w residue 167 LEU Chi-restraints excluded: chain w residue 174 THR Chi-restraints excluded: chain w residue 239 VAL Chi-restraints excluded: chain w residue 274 SER Chi-restraints excluded: chain x residue 48 GLN Chi-restraints excluded: chain x residue 123 LYS Chi-restraints excluded: chain x residue 149 THR Chi-restraints excluded: chain x residue 157 MET Chi-restraints excluded: chain x residue 174 THR Chi-restraints excluded: chain x residue 180 VAL Chi-restraints excluded: chain x residue 182 SER Chi-restraints excluded: chain x residue 239 VAL Chi-restraints excluded: chain x residue 274 SER Chi-restraints excluded: chain x residue 312 ASN Chi-restraints excluded: chain x residue 325 LEU Chi-restraints excluded: chain y residue 48 GLN Chi-restraints excluded: chain y residue 68 ASN Chi-restraints excluded: chain y residue 80 MET Chi-restraints excluded: chain y residue 92 CYS Chi-restraints excluded: chain y residue 124 VAL Chi-restraints excluded: chain y residue 129 SER Chi-restraints excluded: chain y residue 149 THR Chi-restraints excluded: chain y residue 167 LEU Chi-restraints excluded: chain y residue 221 SER Chi-restraints excluded: chain y residue 239 VAL Chi-restraints excluded: chain z residue 48 GLN Chi-restraints excluded: chain z residue 68 ASN Chi-restraints excluded: chain z residue 80 MET Chi-restraints excluded: chain z residue 92 CYS Chi-restraints excluded: chain z residue 124 VAL Chi-restraints excluded: chain z residue 129 SER Chi-restraints excluded: chain z residue 149 THR Chi-restraints excluded: chain z residue 167 LEU Chi-restraints excluded: chain z residue 221 SER Chi-restraints excluded: chain z residue 239 VAL Chi-restraints excluded: chain z residue 263 VAL Chi-restraints excluded: chain 7 residue 48 GLN Chi-restraints excluded: chain 7 residue 68 ASN Chi-restraints excluded: chain 7 residue 80 MET Chi-restraints excluded: chain 7 residue 92 CYS Chi-restraints excluded: chain 7 residue 124 VAL Chi-restraints excluded: chain 7 residue 129 SER Chi-restraints excluded: chain 7 residue 149 THR Chi-restraints excluded: chain 7 residue 167 LEU Chi-restraints excluded: chain 7 residue 221 SER Chi-restraints excluded: chain 7 residue 239 VAL Chi-restraints excluded: chain 8 residue 80 MET Chi-restraints excluded: chain 8 residue 92 CYS Chi-restraints excluded: chain 8 residue 124 VAL Chi-restraints excluded: chain 8 residue 149 THR Chi-restraints excluded: chain 8 residue 168 SER Chi-restraints excluded: chain 8 residue 199 ILE Chi-restraints excluded: chain 8 residue 239 VAL Chi-restraints excluded: chain 8 residue 340 LYS Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1860 random chunks: chunk 604 optimal weight: 0.6980 chunk 1619 optimal weight: 0.8980 chunk 355 optimal weight: 4.9990 chunk 1055 optimal weight: 1.9990 chunk 443 optimal weight: 6.9990 chunk 1799 optimal weight: 2.9990 chunk 1493 optimal weight: 6.9990 chunk 833 optimal weight: 3.9990 chunk 149 optimal weight: 2.9990 chunk 595 optimal weight: 7.9990 chunk 944 optimal weight: 4.9990 overall best weight: 1.9186 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 152 ASN A 197 ASN ** A 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 317 ASN A 328 GLN B 152 ASN B 317 ASN C 152 ASN ** C 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 290 GLN D 152 ASN ** D 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 152 ASN ** E 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 152 ASN F 197 ASN ** F 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 317 ASN F 328 GLN G 152 ASN ** G 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 152 ASN ** H 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 152 ASN ** I 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 290 GLN J 106 HIS J 152 ASN ** J 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 317 ASN K 152 ASN ** K 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 290 GLN L 106 HIS L 152 ASN ** L 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 317 ASN M 152 ASN ** M 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 152 ASN ** N 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 152 ASN O 213 GLN ** O 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 152 ASN ** P 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 152 ASN ** Q 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 290 GLN R 152 ASN ** R 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** R 317 ASN S 152 ASN ** S 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** S 317 ASN T 152 ASN ** T 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** T 290 GLN U 106 HIS U 152 ASN ** U 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** U 317 ASN V 152 ASN ** V 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** V 290 GLN W 152 ASN ** W 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 152 ASN X 213 GLN ** X 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 152 ASN ** Y 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 152 ASN ** Z 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 152 ASN 1 197 ASN ** 1 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 317 ASN 1 328 GLN 2 152 ASN 2 197 ASN ** 2 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 317 ASN 2 328 GLN 3 152 ASN 3 197 ASN ** 3 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 317 ASN 3 328 GLN 4 152 ASN 4 197 ASN ** 4 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 317 ASN 4 328 GLN 5 152 ASN 5 197 ASN ** 5 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 317 ASN 5 328 GLN 6 152 ASN 6 197 ASN ** 6 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 317 ASN 6 328 GLN a 152 ASN ** a 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 290 GLN b 152 ASN ** b 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 152 ASN ** c 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 152 ASN ** d 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 152 ASN ** e 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 328 GLN f 152 ASN ** f 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 152 ASN ** g 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 290 GLN h 152 ASN h 197 ASN ** h 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 317 ASN h 328 GLN i 152 ASN ** i 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 152 ASN ** j 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 290 GLN k 152 ASN k 317 ASN l 106 HIS l 152 ASN l 317 ASN m 152 ASN m 317 ASN n 152 ASN n 213 GLN ** n 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 152 ASN ** o 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 290 GLN p 152 ASN p 197 ASN ** p 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 317 ASN p 328 GLN q 152 ASN q 213 GLN ** q 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 290 GLN r 152 ASN ** r 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 290 GLN s 152 ASN s 197 ASN ** s 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 317 ASN s 328 GLN t 106 HIS t 152 ASN ** t 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** t 317 ASN u 152 ASN u 317 ASN v 106 HIS v 152 ASN ** v 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** v 317 ASN w 152 ASN w 197 ASN ** w 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 317 ASN w 328 GLN x 152 ASN ** x 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 290 GLN ** y 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 152 ASN ** z 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 152 ASN ** 7 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 152 ASN 8 213 GLN ** 8 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 132 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8505 moved from start: 0.2821 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.040 155760 Z= 0.302 Angle : 0.595 5.858 211920 Z= 0.322 Chirality : 0.049 0.179 23220 Planarity : 0.004 0.045 27240 Dihedral : 6.440 58.752 20640 Min Nonbonded Distance : 2.063 Molprobity Statistics. All-atom Clashscore : 13.27 Ramachandran Plot: Outliers : 0.00 % Allowed : 6.52 % Favored : 93.48 % Rotamer: Outliers : 5.65 % Allowed : 14.10 % Favored : 80.24 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.15 (0.06), residues: 18780 helix: -2.75 (0.15), residues: 840 sheet: -0.42 (0.06), residues: 6180 loop : -0.77 (0.06), residues: 11760 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.015 0.001 TRP r 211 HIS 0.007 0.001 HIS 7 159 PHE 0.023 0.002 PHE C 285 TYR 0.013 0.002 TYR l 110 ARG 0.010 0.000 ARG y 61 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 37560 Ramachandran restraints generated. 18780 Oldfield, 0 Emsley, 18780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 37560 Ramachandran restraints generated. 18780 Oldfield, 0 Emsley, 18780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3371 residues out of total 16980 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 960 poor density : 2411 time to evaluate : 13.367 Fit side-chains REVERT: B 80 MET cc_start: 0.9145 (ptt) cc_final: 0.8768 (ptt) REVERT: B 364 MET cc_start: 0.8688 (ptp) cc_final: 0.8349 (ptm) REVERT: C 48 GLN cc_start: 0.8465 (OUTLIER) cc_final: 0.8047 (mt0) REVERT: C 123 LYS cc_start: 0.8301 (OUTLIER) cc_final: 0.7850 (tptm) REVERT: D 48 GLN cc_start: 0.8631 (OUTLIER) cc_final: 0.8332 (mt0) REVERT: D 167 LEU cc_start: 0.9029 (OUTLIER) cc_final: 0.8673 (mt) REVERT: E 123 LYS cc_start: 0.8356 (OUTLIER) cc_final: 0.8108 (tttt) REVERT: E 199 ILE cc_start: 0.9065 (OUTLIER) cc_final: 0.8763 (mt) REVERT: G 123 LYS cc_start: 0.8354 (OUTLIER) cc_final: 0.8109 (tttt) REVERT: G 199 ILE cc_start: 0.9059 (OUTLIER) cc_final: 0.8754 (mt) REVERT: H 48 GLN cc_start: 0.8631 (OUTLIER) cc_final: 0.8332 (mt0) REVERT: H 167 LEU cc_start: 0.9032 (OUTLIER) cc_final: 0.8682 (mt) REVERT: I 48 GLN cc_start: 0.8461 (OUTLIER) cc_final: 0.8039 (mt0) REVERT: I 123 LYS cc_start: 0.8300 (OUTLIER) cc_final: 0.7851 (tptm) REVERT: J 80 MET cc_start: 0.9151 (ptt) cc_final: 0.8802 (ptt) REVERT: J 364 MET cc_start: 0.8688 (ptp) cc_final: 0.8428 (ptm) REVERT: K 48 GLN cc_start: 0.8437 (OUTLIER) cc_final: 0.8040 (mt0) REVERT: K 123 LYS cc_start: 0.8312 (OUTLIER) cc_final: 0.7860 (tptm) REVERT: L 80 MET cc_start: 0.9152 (ptt) cc_final: 0.8774 (ptt) REVERT: L 364 MET cc_start: 0.8669 (ptp) cc_final: 0.8392 (ptm) REVERT: M 123 LYS cc_start: 0.8357 (OUTLIER) cc_final: 0.8110 (tttt) REVERT: M 199 ILE cc_start: 0.9091 (OUTLIER) cc_final: 0.8794 (mt) REVERT: N 48 GLN cc_start: 0.8629 (OUTLIER) cc_final: 0.8330 (mt0) REVERT: N 167 LEU cc_start: 0.9030 (OUTLIER) cc_final: 0.8679 (mt) REVERT: O 123 LYS cc_start: 0.8328 (OUTLIER) cc_final: 0.8076 (ttpt) REVERT: O 199 ILE cc_start: 0.9092 (OUTLIER) cc_final: 0.8795 (mt) REVERT: P 48 GLN cc_start: 0.8629 (OUTLIER) cc_final: 0.8332 (mt0) REVERT: P 167 LEU cc_start: 0.9028 (OUTLIER) cc_final: 0.8678 (mt) REVERT: P 263 VAL cc_start: 0.8268 (OUTLIER) cc_final: 0.7739 (m) REVERT: P 362 MET cc_start: 0.8774 (mtp) cc_final: 0.8192 (mtp) REVERT: Q 48 GLN cc_start: 0.8435 (OUTLIER) cc_final: 0.8031 (mt0) REVERT: Q 123 LYS cc_start: 0.8345 (OUTLIER) cc_final: 0.7887 (tptm) REVERT: R 80 MET cc_start: 0.9149 (ptt) cc_final: 0.8799 (ptt) REVERT: R 364 MET cc_start: 0.8686 (ptp) cc_final: 0.8346 (ptm) REVERT: S 80 MET cc_start: 0.9147 (ptt) cc_final: 0.8792 (ptt) REVERT: S 364 MET cc_start: 0.8685 (ptp) cc_final: 0.8429 (ptm) REVERT: T 48 GLN cc_start: 0.8467 (OUTLIER) cc_final: 0.8049 (mt0) REVERT: T 123 LYS cc_start: 0.8304 (OUTLIER) cc_final: 0.7854 (tptm) REVERT: U 80 MET cc_start: 0.9153 (ptt) cc_final: 0.8780 (ptt) REVERT: U 364 MET cc_start: 0.8674 (ptp) cc_final: 0.8394 (ptm) REVERT: V 48 GLN cc_start: 0.8436 (OUTLIER) cc_final: 0.8029 (mt0) REVERT: V 123 LYS cc_start: 0.8305 (OUTLIER) cc_final: 0.7854 (tptm) REVERT: W 48 GLN cc_start: 0.8630 (OUTLIER) cc_final: 0.8333 (mt0) REVERT: W 167 LEU cc_start: 0.9035 (OUTLIER) cc_final: 0.8684 (mt) REVERT: X 123 LYS cc_start: 0.8372 (OUTLIER) cc_final: 0.8120 (tttt) REVERT: X 199 ILE cc_start: 0.9070 (OUTLIER) cc_final: 0.8773 (mt) REVERT: Y 48 GLN cc_start: 0.8628 (OUTLIER) cc_final: 0.8329 (mt0) REVERT: Y 167 LEU cc_start: 0.9039 (OUTLIER) cc_final: 0.8679 (mt) REVERT: Z 123 LYS cc_start: 0.8368 (OUTLIER) cc_final: 0.8112 (tttt) REVERT: Z 199 ILE cc_start: 0.9085 (OUTLIER) cc_final: 0.8793 (mt) REVERT: a 48 GLN cc_start: 0.8435 (OUTLIER) cc_final: 0.8036 (mt0) REVERT: a 123 LYS cc_start: 0.8292 (OUTLIER) cc_final: 0.7843 (tptm) REVERT: b 199 ILE cc_start: 0.9066 (OUTLIER) cc_final: 0.8784 (mt) REVERT: c 48 GLN cc_start: 0.8645 (OUTLIER) cc_final: 0.8327 (mt0) REVERT: c 167 LEU cc_start: 0.9053 (OUTLIER) cc_final: 0.8684 (mt) REVERT: d 48 GLN cc_start: 0.8626 (OUTLIER) cc_final: 0.8320 (mt0) REVERT: d 167 LEU cc_start: 0.9029 (OUTLIER) cc_final: 0.8677 (mt) REVERT: e 48 GLN cc_start: 0.8628 (OUTLIER) cc_final: 0.8330 (mt0) REVERT: e 167 LEU cc_start: 0.9055 (OUTLIER) cc_final: 0.8657 (mt) REVERT: e 362 MET cc_start: 0.8779 (mtp) cc_final: 0.8197 (mtp) REVERT: f 123 LYS cc_start: 0.8354 (OUTLIER) cc_final: 0.8111 (tttt) REVERT: f 199 ILE cc_start: 0.9058 (OUTLIER) cc_final: 0.8760 (mt) REVERT: g 48 GLN cc_start: 0.8438 (OUTLIER) cc_final: 0.8039 (mt0) REVERT: g 123 LYS cc_start: 0.8300 (OUTLIER) cc_final: 0.7851 (tptm) REVERT: i 123 LYS cc_start: 0.8356 (OUTLIER) cc_final: 0.8106 (tttt) REVERT: i 199 ILE cc_start: 0.9057 (OUTLIER) cc_final: 0.8753 (mt) REVERT: j 48 GLN cc_start: 0.8462 (OUTLIER) cc_final: 0.8040 (mt0) REVERT: j 123 LYS cc_start: 0.8303 (OUTLIER) cc_final: 0.7850 (tptm) REVERT: k 80 MET cc_start: 0.9148 (ptt) cc_final: 0.8775 (ptt) REVERT: k 286 LYS cc_start: 0.8599 (mtpt) cc_final: 0.8375 (mtmt) REVERT: k 364 MET cc_start: 0.8692 (ptp) cc_final: 0.8406 (ptm) REVERT: l 80 MET cc_start: 0.9153 (ptt) cc_final: 0.8795 (ptt) REVERT: l 364 MET cc_start: 0.8680 (ptp) cc_final: 0.8421 (ptm) REVERT: m 80 MET cc_start: 0.9147 (ptt) cc_final: 0.8805 (ptt) REVERT: m 364 MET cc_start: 0.8671 (ptp) cc_final: 0.8394 (ptm) REVERT: n 123 LYS cc_start: 0.8365 (OUTLIER) cc_final: 0.8113 (tttt) REVERT: n 199 ILE cc_start: 0.9083 (OUTLIER) cc_final: 0.8799 (mt) REVERT: o 48 GLN cc_start: 0.8430 (OUTLIER) cc_final: 0.8022 (mt0) REVERT: o 123 LYS cc_start: 0.8310 (OUTLIER) cc_final: 0.7858 (tptm) REVERT: q 199 ILE cc_start: 0.9068 (OUTLIER) cc_final: 0.8769 (mt) REVERT: r 48 GLN cc_start: 0.8438 (OUTLIER) cc_final: 0.8041 (mt0) REVERT: r 123 LYS cc_start: 0.8313 (OUTLIER) cc_final: 0.7865 (tptm) REVERT: t 80 MET cc_start: 0.9155 (ptt) cc_final: 0.8776 (ptt) REVERT: t 364 MET cc_start: 0.8688 (ptp) cc_final: 0.8424 (ptm) REVERT: u 80 MET cc_start: 0.9152 (ptt) cc_final: 0.8774 (ptt) REVERT: u 364 MET cc_start: 0.8690 (ptp) cc_final: 0.8426 (ptm) REVERT: v 80 MET cc_start: 0.9156 (ptt) cc_final: 0.8796 (ptt) REVERT: v 364 MET cc_start: 0.8689 (ptp) cc_final: 0.8426 (ptm) REVERT: x 48 GLN cc_start: 0.8430 (OUTLIER) cc_final: 0.8019 (mt0) REVERT: x 123 LYS cc_start: 0.8300 (OUTLIER) cc_final: 0.7851 (tptm) REVERT: y 48 GLN cc_start: 0.8630 (OUTLIER) cc_final: 0.8336 (mt0) REVERT: y 167 LEU cc_start: 0.9033 (OUTLIER) cc_final: 0.8687 (mt) REVERT: z 48 GLN cc_start: 0.8635 (OUTLIER) cc_final: 0.8334 (mt0) REVERT: z 167 LEU cc_start: 0.9035 (OUTLIER) cc_final: 0.8686 (mt) REVERT: 7 48 GLN cc_start: 0.8626 (OUTLIER) cc_final: 0.8324 (mt0) REVERT: 7 167 LEU cc_start: 0.9042 (OUTLIER) cc_final: 0.8679 (mt) REVERT: 8 123 LYS cc_start: 0.8373 (OUTLIER) cc_final: 0.8119 (tttt) REVERT: 8 199 ILE cc_start: 0.9093 (OUTLIER) cc_final: 0.8797 (mt) outliers start: 960 outliers final: 582 residues processed: 3078 average time/residue: 2.0731 time to fit residues: 9370.2164 Evaluate side-chains 3058 residues out of total 16980 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 653 poor density : 2405 time to evaluate : 13.123 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 80 MET Chi-restraints excluded: chain A residue 92 CYS Chi-restraints excluded: chain A residue 101 LEU Chi-restraints excluded: chain A residue 124 VAL Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 167 LEU Chi-restraints excluded: chain A residue 170 VAL Chi-restraints excluded: chain A residue 174 THR Chi-restraints excluded: chain A residue 239 VAL Chi-restraints excluded: chain A residue 263 VAL Chi-restraints excluded: chain A residue 274 SER Chi-restraints excluded: chain B residue 48 GLN Chi-restraints excluded: chain B residue 92 CYS Chi-restraints excluded: chain B residue 101 LEU Chi-restraints excluded: chain B residue 124 VAL Chi-restraints excluded: chain B residue 128 LEU Chi-restraints excluded: chain B residue 148 THR Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 174 THR Chi-restraints excluded: chain B residue 199 ILE Chi-restraints excluded: chain B residue 239 VAL Chi-restraints excluded: chain B residue 243 ASN Chi-restraints excluded: chain B residue 263 VAL Chi-restraints excluded: chain C residue 48 GLN Chi-restraints excluded: chain C residue 68 ASN Chi-restraints excluded: chain C residue 123 LYS Chi-restraints excluded: chain C residue 148 THR Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 157 MET Chi-restraints excluded: chain C residue 174 THR Chi-restraints excluded: chain C residue 180 VAL Chi-restraints excluded: chain C residue 239 VAL Chi-restraints excluded: chain C residue 274 SER Chi-restraints excluded: chain C residue 312 ASN Chi-restraints excluded: chain C residue 325 LEU Chi-restraints excluded: chain D residue 48 GLN Chi-restraints excluded: chain D residue 68 ASN Chi-restraints excluded: chain D residue 80 MET Chi-restraints excluded: chain D residue 92 CYS Chi-restraints excluded: chain D residue 124 VAL Chi-restraints excluded: chain D residue 129 SER Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 167 LEU Chi-restraints excluded: chain D residue 221 SER Chi-restraints excluded: chain D residue 239 VAL Chi-restraints excluded: chain E residue 80 MET Chi-restraints excluded: chain E residue 92 CYS Chi-restraints excluded: chain E residue 101 LEU Chi-restraints excluded: chain E residue 123 LYS Chi-restraints excluded: chain E residue 124 VAL Chi-restraints excluded: chain E residue 148 THR Chi-restraints excluded: chain E residue 149 THR Chi-restraints excluded: chain E residue 168 SER Chi-restraints excluded: chain E residue 199 ILE Chi-restraints excluded: chain E residue 239 VAL Chi-restraints excluded: chain F residue 80 MET Chi-restraints excluded: chain F residue 92 CYS Chi-restraints excluded: chain F residue 101 LEU Chi-restraints excluded: chain F residue 124 VAL Chi-restraints excluded: chain F residue 149 THR Chi-restraints excluded: chain F residue 152 ASN Chi-restraints excluded: chain F residue 170 VAL Chi-restraints excluded: chain F residue 174 THR Chi-restraints excluded: chain F residue 239 VAL Chi-restraints excluded: chain F residue 263 VAL Chi-restraints excluded: chain F residue 274 SER Chi-restraints excluded: chain G residue 80 MET Chi-restraints excluded: chain G residue 92 CYS Chi-restraints excluded: chain G residue 101 LEU Chi-restraints excluded: chain G residue 123 LYS Chi-restraints excluded: chain G residue 124 VAL Chi-restraints excluded: chain G residue 148 THR Chi-restraints excluded: chain G residue 149 THR Chi-restraints excluded: chain G residue 168 SER Chi-restraints excluded: chain G residue 199 ILE Chi-restraints excluded: chain G residue 239 VAL Chi-restraints excluded: chain H residue 48 GLN Chi-restraints excluded: chain H residue 68 ASN Chi-restraints excluded: chain H residue 80 MET Chi-restraints excluded: chain H residue 92 CYS Chi-restraints excluded: chain H residue 124 VAL Chi-restraints excluded: chain H residue 129 SER Chi-restraints excluded: chain H residue 149 THR Chi-restraints excluded: chain H residue 167 LEU Chi-restraints excluded: chain H residue 221 SER Chi-restraints excluded: chain H residue 239 VAL Chi-restraints excluded: chain H residue 263 VAL Chi-restraints excluded: chain I residue 48 GLN Chi-restraints excluded: chain I residue 68 ASN Chi-restraints excluded: chain I residue 101 LEU Chi-restraints excluded: chain I residue 123 LYS Chi-restraints excluded: chain I residue 148 THR Chi-restraints excluded: chain I residue 149 THR Chi-restraints excluded: chain I residue 157 MET Chi-restraints excluded: chain I residue 174 THR Chi-restraints excluded: chain I residue 180 VAL Chi-restraints excluded: chain I residue 239 VAL Chi-restraints excluded: chain I residue 274 SER Chi-restraints excluded: chain I residue 312 ASN Chi-restraints excluded: chain I residue 325 LEU Chi-restraints excluded: chain J residue 48 GLN Chi-restraints excluded: chain J residue 92 CYS Chi-restraints excluded: chain J residue 101 LEU Chi-restraints excluded: chain J residue 124 VAL Chi-restraints excluded: chain J residue 128 LEU Chi-restraints excluded: chain J residue 148 THR Chi-restraints excluded: chain J residue 149 THR Chi-restraints excluded: chain J residue 174 THR Chi-restraints excluded: chain J residue 199 ILE Chi-restraints excluded: chain J residue 239 VAL Chi-restraints excluded: chain J residue 243 ASN Chi-restraints excluded: chain J residue 263 VAL Chi-restraints excluded: chain K residue 48 GLN Chi-restraints excluded: chain K residue 68 ASN Chi-restraints excluded: chain K residue 123 LYS Chi-restraints excluded: chain K residue 148 THR Chi-restraints excluded: chain K residue 149 THR Chi-restraints excluded: chain K residue 157 MET Chi-restraints excluded: chain K residue 174 THR Chi-restraints excluded: chain K residue 180 VAL Chi-restraints excluded: chain K residue 239 VAL Chi-restraints excluded: chain K residue 312 ASN Chi-restraints excluded: chain K residue 325 LEU Chi-restraints excluded: chain L residue 48 GLN Chi-restraints excluded: chain L residue 92 CYS Chi-restraints excluded: chain L residue 101 LEU Chi-restraints excluded: chain L residue 124 VAL Chi-restraints excluded: chain L residue 128 LEU Chi-restraints excluded: chain L residue 148 THR Chi-restraints excluded: chain L residue 149 THR Chi-restraints excluded: chain L residue 174 THR Chi-restraints excluded: chain L residue 199 ILE Chi-restraints excluded: chain L residue 239 VAL Chi-restraints excluded: chain L residue 263 VAL Chi-restraints excluded: chain M residue 80 MET Chi-restraints excluded: chain M residue 92 CYS Chi-restraints excluded: chain M residue 123 LYS Chi-restraints excluded: chain M residue 124 VAL Chi-restraints excluded: chain M residue 148 THR Chi-restraints excluded: chain M residue 149 THR Chi-restraints excluded: chain M residue 168 SER Chi-restraints excluded: chain M residue 199 ILE Chi-restraints excluded: chain M residue 239 VAL Chi-restraints excluded: chain N residue 48 GLN Chi-restraints excluded: chain N residue 68 ASN Chi-restraints excluded: chain N residue 80 MET Chi-restraints excluded: chain N residue 92 CYS Chi-restraints excluded: chain N residue 124 VAL Chi-restraints excluded: chain N residue 129 SER Chi-restraints excluded: chain N residue 149 THR Chi-restraints excluded: chain N residue 167 LEU Chi-restraints excluded: chain N residue 221 SER Chi-restraints excluded: chain N residue 239 VAL Chi-restraints excluded: chain N residue 263 VAL Chi-restraints excluded: chain O residue 80 MET Chi-restraints excluded: chain O residue 92 CYS Chi-restraints excluded: chain O residue 101 LEU Chi-restraints excluded: chain O residue 123 LYS Chi-restraints excluded: chain O residue 124 VAL Chi-restraints excluded: chain O residue 148 THR Chi-restraints excluded: chain O residue 149 THR Chi-restraints excluded: chain O residue 168 SER Chi-restraints excluded: chain O residue 199 ILE Chi-restraints excluded: chain O residue 239 VAL Chi-restraints excluded: chain P residue 48 GLN Chi-restraints excluded: chain P residue 68 ASN Chi-restraints excluded: chain P residue 80 MET Chi-restraints excluded: chain P residue 92 CYS Chi-restraints excluded: chain P residue 124 VAL Chi-restraints excluded: chain P residue 129 SER Chi-restraints excluded: chain P residue 149 THR Chi-restraints excluded: chain P residue 167 LEU Chi-restraints excluded: chain P residue 221 SER Chi-restraints excluded: chain P residue 239 VAL Chi-restraints excluded: chain P residue 263 VAL Chi-restraints excluded: chain P residue 361 LYS Chi-restraints excluded: chain Q residue 48 GLN Chi-restraints excluded: chain Q residue 68 ASN Chi-restraints excluded: chain Q residue 101 LEU Chi-restraints excluded: chain Q residue 123 LYS Chi-restraints excluded: chain Q residue 148 THR Chi-restraints excluded: chain Q residue 149 THR Chi-restraints excluded: chain Q residue 157 MET Chi-restraints excluded: chain Q residue 174 THR Chi-restraints excluded: chain Q residue 180 VAL Chi-restraints excluded: chain Q residue 239 VAL Chi-restraints excluded: chain Q residue 312 ASN Chi-restraints excluded: chain Q residue 325 LEU Chi-restraints excluded: chain R residue 48 GLN Chi-restraints excluded: chain R residue 92 CYS Chi-restraints excluded: chain R residue 101 LEU Chi-restraints excluded: chain R residue 124 VAL Chi-restraints excluded: chain R residue 128 LEU Chi-restraints excluded: chain R residue 148 THR Chi-restraints excluded: chain R residue 149 THR Chi-restraints excluded: chain R residue 174 THR Chi-restraints excluded: chain R residue 199 ILE Chi-restraints excluded: chain R residue 239 VAL Chi-restraints excluded: chain R residue 243 ASN Chi-restraints excluded: chain R residue 263 VAL Chi-restraints excluded: chain S residue 48 GLN Chi-restraints excluded: chain S residue 92 CYS Chi-restraints excluded: chain S residue 101 LEU Chi-restraints excluded: chain S residue 124 VAL Chi-restraints excluded: chain S residue 128 LEU Chi-restraints excluded: chain S residue 148 THR Chi-restraints excluded: chain S residue 149 THR Chi-restraints excluded: chain S residue 174 THR Chi-restraints excluded: chain S residue 199 ILE Chi-restraints excluded: chain S residue 239 VAL Chi-restraints excluded: chain S residue 243 ASN Chi-restraints excluded: chain S residue 263 VAL Chi-restraints excluded: chain T residue 48 GLN Chi-restraints excluded: chain T residue 68 ASN Chi-restraints excluded: chain T residue 101 LEU Chi-restraints excluded: chain T residue 123 LYS Chi-restraints excluded: chain T residue 148 THR Chi-restraints excluded: chain T residue 149 THR Chi-restraints excluded: chain T residue 157 MET Chi-restraints excluded: chain T residue 174 THR Chi-restraints excluded: chain T residue 180 VAL Chi-restraints excluded: chain T residue 239 VAL Chi-restraints excluded: chain T residue 312 ASN Chi-restraints excluded: chain T residue 325 LEU Chi-restraints excluded: chain U residue 48 GLN Chi-restraints excluded: chain U residue 92 CYS Chi-restraints excluded: chain U residue 101 LEU Chi-restraints excluded: chain U residue 124 VAL Chi-restraints excluded: chain U residue 128 LEU Chi-restraints excluded: chain U residue 148 THR Chi-restraints excluded: chain U residue 149 THR Chi-restraints excluded: chain U residue 174 THR Chi-restraints excluded: chain U residue 199 ILE Chi-restraints excluded: chain U residue 239 VAL Chi-restraints excluded: chain U residue 263 VAL Chi-restraints excluded: chain V residue 48 GLN Chi-restraints excluded: chain V residue 68 ASN Chi-restraints excluded: chain V residue 101 LEU Chi-restraints excluded: chain V residue 123 LYS Chi-restraints excluded: chain V residue 148 THR Chi-restraints excluded: chain V residue 149 THR Chi-restraints excluded: chain V residue 157 MET Chi-restraints excluded: chain V residue 174 THR Chi-restraints excluded: chain V residue 180 VAL Chi-restraints excluded: chain V residue 239 VAL Chi-restraints excluded: chain V residue 312 ASN Chi-restraints excluded: chain V residue 325 LEU Chi-restraints excluded: chain W residue 48 GLN Chi-restraints excluded: chain W residue 68 ASN Chi-restraints excluded: chain W residue 80 MET Chi-restraints excluded: chain W residue 92 CYS Chi-restraints excluded: chain W residue 124 VAL Chi-restraints excluded: chain W residue 129 SER Chi-restraints excluded: chain W residue 149 THR Chi-restraints excluded: chain W residue 167 LEU Chi-restraints excluded: chain W residue 221 SER Chi-restraints excluded: chain W residue 239 VAL Chi-restraints excluded: chain W residue 263 VAL Chi-restraints excluded: chain X residue 80 MET Chi-restraints excluded: chain X residue 92 CYS Chi-restraints excluded: chain X residue 101 LEU Chi-restraints excluded: chain X residue 123 LYS Chi-restraints excluded: chain X residue 124 VAL Chi-restraints excluded: chain X residue 148 THR Chi-restraints excluded: chain X residue 149 THR Chi-restraints excluded: chain X residue 168 SER Chi-restraints excluded: chain X residue 199 ILE Chi-restraints excluded: chain X residue 239 VAL Chi-restraints excluded: chain Y residue 48 GLN Chi-restraints excluded: chain Y residue 68 ASN Chi-restraints excluded: chain Y residue 80 MET Chi-restraints excluded: chain Y residue 92 CYS Chi-restraints excluded: chain Y residue 124 VAL Chi-restraints excluded: chain Y residue 129 SER Chi-restraints excluded: chain Y residue 149 THR Chi-restraints excluded: chain Y residue 167 LEU Chi-restraints excluded: chain Y residue 221 SER Chi-restraints excluded: chain Y residue 239 VAL Chi-restraints excluded: chain Y residue 263 VAL Chi-restraints excluded: chain Z residue 80 MET Chi-restraints excluded: chain Z residue 92 CYS Chi-restraints excluded: chain Z residue 123 LYS Chi-restraints excluded: chain Z residue 124 VAL Chi-restraints excluded: chain Z residue 148 THR Chi-restraints excluded: chain Z residue 149 THR Chi-restraints excluded: chain Z residue 168 SER Chi-restraints excluded: chain Z residue 199 ILE Chi-restraints excluded: chain Z residue 239 VAL Chi-restraints excluded: chain Z residue 340 LYS Chi-restraints excluded: chain 1 residue 80 MET Chi-restraints excluded: chain 1 residue 92 CYS Chi-restraints excluded: chain 1 residue 101 LEU Chi-restraints excluded: chain 1 residue 124 VAL Chi-restraints excluded: chain 1 residue 149 THR Chi-restraints excluded: chain 1 residue 167 LEU Chi-restraints excluded: chain 1 residue 170 VAL Chi-restraints excluded: chain 1 residue 174 THR Chi-restraints excluded: chain 1 residue 239 VAL Chi-restraints excluded: chain 1 residue 274 SER Chi-restraints excluded: chain 2 residue 80 MET Chi-restraints excluded: chain 2 residue 92 CYS Chi-restraints excluded: chain 2 residue 101 LEU Chi-restraints excluded: chain 2 residue 124 VAL Chi-restraints excluded: chain 2 residue 149 THR Chi-restraints excluded: chain 2 residue 152 ASN Chi-restraints excluded: chain 2 residue 170 VAL Chi-restraints excluded: chain 2 residue 174 THR Chi-restraints excluded: chain 2 residue 239 VAL Chi-restraints excluded: chain 2 residue 263 VAL Chi-restraints excluded: chain 2 residue 274 SER Chi-restraints excluded: chain 3 residue 80 MET Chi-restraints excluded: chain 3 residue 92 CYS Chi-restraints excluded: chain 3 residue 101 LEU Chi-restraints excluded: chain 3 residue 124 VAL Chi-restraints excluded: chain 3 residue 149 THR Chi-restraints excluded: chain 3 residue 152 ASN Chi-restraints excluded: chain 3 residue 170 VAL Chi-restraints excluded: chain 3 residue 174 THR Chi-restraints excluded: chain 3 residue 239 VAL Chi-restraints excluded: chain 3 residue 263 VAL Chi-restraints excluded: chain 3 residue 274 SER Chi-restraints excluded: chain 4 residue 80 MET Chi-restraints excluded: chain 4 residue 92 CYS Chi-restraints excluded: chain 4 residue 101 LEU Chi-restraints excluded: chain 4 residue 124 VAL Chi-restraints excluded: chain 4 residue 149 THR Chi-restraints excluded: chain 4 residue 152 ASN Chi-restraints excluded: chain 4 residue 170 VAL Chi-restraints excluded: chain 4 residue 174 THR Chi-restraints excluded: chain 4 residue 239 VAL Chi-restraints excluded: chain 4 residue 263 VAL Chi-restraints excluded: chain 4 residue 274 SER Chi-restraints excluded: chain 5 residue 80 MET Chi-restraints excluded: chain 5 residue 92 CYS Chi-restraints excluded: chain 5 residue 101 LEU Chi-restraints excluded: chain 5 residue 124 VAL Chi-restraints excluded: chain 5 residue 149 THR Chi-restraints excluded: chain 5 residue 167 LEU Chi-restraints excluded: chain 5 residue 170 VAL Chi-restraints excluded: chain 5 residue 174 THR Chi-restraints excluded: chain 5 residue 239 VAL Chi-restraints excluded: chain 5 residue 263 VAL Chi-restraints excluded: chain 5 residue 274 SER Chi-restraints excluded: chain 6 residue 80 MET Chi-restraints excluded: chain 6 residue 92 CYS Chi-restraints excluded: chain 6 residue 101 LEU Chi-restraints excluded: chain 6 residue 124 VAL Chi-restraints excluded: chain 6 residue 149 THR Chi-restraints excluded: chain 6 residue 152 ASN Chi-restraints excluded: chain 6 residue 167 LEU Chi-restraints excluded: chain 6 residue 174 THR Chi-restraints excluded: chain 6 residue 239 VAL Chi-restraints excluded: chain 6 residue 274 SER Chi-restraints excluded: chain a residue 48 GLN Chi-restraints excluded: chain a residue 68 ASN Chi-restraints excluded: chain a residue 101 LEU Chi-restraints excluded: chain a residue 123 LYS Chi-restraints excluded: chain a residue 148 THR Chi-restraints excluded: chain a residue 149 THR Chi-restraints excluded: chain a residue 157 MET Chi-restraints excluded: chain a residue 174 THR Chi-restraints excluded: chain a residue 180 VAL Chi-restraints excluded: chain a residue 239 VAL Chi-restraints excluded: chain a residue 312 ASN Chi-restraints excluded: chain a residue 325 LEU Chi-restraints excluded: chain b residue 80 MET Chi-restraints excluded: chain b residue 92 CYS Chi-restraints excluded: chain b residue 124 VAL Chi-restraints excluded: chain b residue 148 THR Chi-restraints excluded: chain b residue 149 THR Chi-restraints excluded: chain b residue 168 SER Chi-restraints excluded: chain b residue 199 ILE Chi-restraints excluded: chain b residue 239 VAL Chi-restraints excluded: chain c residue 48 GLN Chi-restraints excluded: chain c residue 80 MET Chi-restraints excluded: chain c residue 92 CYS Chi-restraints excluded: chain c residue 124 VAL Chi-restraints excluded: chain c residue 129 SER Chi-restraints excluded: chain c residue 149 THR Chi-restraints excluded: chain c residue 167 LEU Chi-restraints excluded: chain c residue 221 SER Chi-restraints excluded: chain c residue 239 VAL Chi-restraints excluded: chain c residue 263 VAL Chi-restraints excluded: chain d residue 48 GLN Chi-restraints excluded: chain d residue 68 ASN Chi-restraints excluded: chain d residue 80 MET Chi-restraints excluded: chain d residue 92 CYS Chi-restraints excluded: chain d residue 124 VAL Chi-restraints excluded: chain d residue 129 SER Chi-restraints excluded: chain d residue 149 THR Chi-restraints excluded: chain d residue 167 LEU Chi-restraints excluded: chain d residue 221 SER Chi-restraints excluded: chain d residue 239 VAL Chi-restraints excluded: chain e residue 48 GLN Chi-restraints excluded: chain e residue 68 ASN Chi-restraints excluded: chain e residue 80 MET Chi-restraints excluded: chain e residue 92 CYS Chi-restraints excluded: chain e residue 124 VAL Chi-restraints excluded: chain e residue 129 SER Chi-restraints excluded: chain e residue 149 THR Chi-restraints excluded: chain e residue 167 LEU Chi-restraints excluded: chain e residue 239 VAL Chi-restraints excluded: chain e residue 263 VAL Chi-restraints excluded: chain e residue 361 LYS Chi-restraints excluded: chain f residue 80 MET Chi-restraints excluded: chain f residue 92 CYS Chi-restraints excluded: chain f residue 123 LYS Chi-restraints excluded: chain f residue 124 VAL Chi-restraints excluded: chain f residue 148 THR Chi-restraints excluded: chain f residue 149 THR Chi-restraints excluded: chain f residue 168 SER Chi-restraints excluded: chain f residue 199 ILE Chi-restraints excluded: chain f residue 239 VAL Chi-restraints excluded: chain g residue 48 GLN Chi-restraints excluded: chain g residue 68 ASN Chi-restraints excluded: chain g residue 101 LEU Chi-restraints excluded: chain g residue 123 LYS Chi-restraints excluded: chain g residue 148 THR Chi-restraints excluded: chain g residue 149 THR Chi-restraints excluded: chain g residue 157 MET Chi-restraints excluded: chain g residue 174 THR Chi-restraints excluded: chain g residue 180 VAL Chi-restraints excluded: chain g residue 239 VAL Chi-restraints excluded: chain g residue 312 ASN Chi-restraints excluded: chain g residue 325 LEU Chi-restraints excluded: chain h residue 80 MET Chi-restraints excluded: chain h residue 92 CYS Chi-restraints excluded: chain h residue 101 LEU Chi-restraints excluded: chain h residue 124 VAL Chi-restraints excluded: chain h residue 149 THR Chi-restraints excluded: chain h residue 170 VAL Chi-restraints excluded: chain h residue 174 THR Chi-restraints excluded: chain h residue 239 VAL Chi-restraints excluded: chain h residue 274 SER Chi-restraints excluded: chain i residue 80 MET Chi-restraints excluded: chain i residue 92 CYS Chi-restraints excluded: chain i residue 101 LEU Chi-restraints excluded: chain i residue 123 LYS Chi-restraints excluded: chain i residue 124 VAL Chi-restraints excluded: chain i residue 148 THR Chi-restraints excluded: chain i residue 149 THR Chi-restraints excluded: chain i residue 168 SER Chi-restraints excluded: chain i residue 199 ILE Chi-restraints excluded: chain i residue 239 VAL Chi-restraints excluded: chain j residue 48 GLN Chi-restraints excluded: chain j residue 68 ASN Chi-restraints excluded: chain j residue 101 LEU Chi-restraints excluded: chain j residue 123 LYS Chi-restraints excluded: chain j residue 148 THR Chi-restraints excluded: chain j residue 149 THR Chi-restraints excluded: chain j residue 157 MET Chi-restraints excluded: chain j residue 174 THR Chi-restraints excluded: chain j residue 180 VAL Chi-restraints excluded: chain j residue 239 VAL Chi-restraints excluded: chain j residue 312 ASN Chi-restraints excluded: chain j residue 325 LEU Chi-restraints excluded: chain k residue 48 GLN Chi-restraints excluded: chain k residue 92 CYS Chi-restraints excluded: chain k residue 101 LEU Chi-restraints excluded: chain k residue 124 VAL Chi-restraints excluded: chain k residue 128 LEU Chi-restraints excluded: chain k residue 148 THR Chi-restraints excluded: chain k residue 149 THR Chi-restraints excluded: chain k residue 174 THR Chi-restraints excluded: chain k residue 199 ILE Chi-restraints excluded: chain k residue 239 VAL Chi-restraints excluded: chain k residue 243 ASN Chi-restraints excluded: chain k residue 263 VAL Chi-restraints excluded: chain l residue 48 GLN Chi-restraints excluded: chain l residue 92 CYS Chi-restraints excluded: chain l residue 101 LEU Chi-restraints excluded: chain l residue 124 VAL Chi-restraints excluded: chain l residue 128 LEU Chi-restraints excluded: chain l residue 148 THR Chi-restraints excluded: chain l residue 149 THR Chi-restraints excluded: chain l residue 174 THR Chi-restraints excluded: chain l residue 199 ILE Chi-restraints excluded: chain l residue 239 VAL Chi-restraints excluded: chain l residue 243 ASN Chi-restraints excluded: chain l residue 263 VAL Chi-restraints excluded: chain m residue 48 GLN Chi-restraints excluded: chain m residue 92 CYS Chi-restraints excluded: chain m residue 101 LEU Chi-restraints excluded: chain m residue 124 VAL Chi-restraints excluded: chain m residue 128 LEU Chi-restraints excluded: chain m residue 148 THR Chi-restraints excluded: chain m residue 149 THR Chi-restraints excluded: chain m residue 174 THR Chi-restraints excluded: chain m residue 199 ILE Chi-restraints excluded: chain m residue 239 VAL Chi-restraints excluded: chain m residue 263 VAL Chi-restraints excluded: chain n residue 80 MET Chi-restraints excluded: chain n residue 92 CYS Chi-restraints excluded: chain n residue 101 LEU Chi-restraints excluded: chain n residue 123 LYS Chi-restraints excluded: chain n residue 124 VAL Chi-restraints excluded: chain n residue 148 THR Chi-restraints excluded: chain n residue 149 THR Chi-restraints excluded: chain n residue 168 SER Chi-restraints excluded: chain n residue 199 ILE Chi-restraints excluded: chain n residue 239 VAL Chi-restraints excluded: chain n residue 340 LYS Chi-restraints excluded: chain o residue 48 GLN Chi-restraints excluded: chain o residue 68 ASN Chi-restraints excluded: chain o residue 101 LEU Chi-restraints excluded: chain o residue 123 LYS Chi-restraints excluded: chain o residue 148 THR Chi-restraints excluded: chain o residue 149 THR Chi-restraints excluded: chain o residue 157 MET Chi-restraints excluded: chain o residue 174 THR Chi-restraints excluded: chain o residue 180 VAL Chi-restraints excluded: chain o residue 239 VAL Chi-restraints excluded: chain o residue 274 SER Chi-restraints excluded: chain o residue 312 ASN Chi-restraints excluded: chain o residue 325 LEU Chi-restraints excluded: chain p residue 80 MET Chi-restraints excluded: chain p residue 92 CYS Chi-restraints excluded: chain p residue 101 LEU Chi-restraints excluded: chain p residue 124 VAL Chi-restraints excluded: chain p residue 149 THR Chi-restraints excluded: chain p residue 174 THR Chi-restraints excluded: chain p residue 239 VAL Chi-restraints excluded: chain p residue 263 VAL Chi-restraints excluded: chain p residue 274 SER Chi-restraints excluded: chain q residue 80 MET Chi-restraints excluded: chain q residue 92 CYS Chi-restraints excluded: chain q residue 101 LEU Chi-restraints excluded: chain q residue 124 VAL Chi-restraints excluded: chain q residue 148 THR Chi-restraints excluded: chain q residue 149 THR Chi-restraints excluded: chain q residue 168 SER Chi-restraints excluded: chain q residue 199 ILE Chi-restraints excluded: chain q residue 239 VAL Chi-restraints excluded: chain r residue 48 GLN Chi-restraints excluded: chain r residue 68 ASN Chi-restraints excluded: chain r residue 101 LEU Chi-restraints excluded: chain r residue 123 LYS Chi-restraints excluded: chain r residue 148 THR Chi-restraints excluded: chain r residue 149 THR Chi-restraints excluded: chain r residue 157 MET Chi-restraints excluded: chain r residue 174 THR Chi-restraints excluded: chain r residue 180 VAL Chi-restraints excluded: chain r residue 239 VAL Chi-restraints excluded: chain r residue 312 ASN Chi-restraints excluded: chain r residue 325 LEU Chi-restraints excluded: chain s residue 80 MET Chi-restraints excluded: chain s residue 92 CYS Chi-restraints excluded: chain s residue 101 LEU Chi-restraints excluded: chain s residue 124 VAL Chi-restraints excluded: chain s residue 149 THR Chi-restraints excluded: chain s residue 170 VAL Chi-restraints excluded: chain s residue 174 THR Chi-restraints excluded: chain s residue 239 VAL Chi-restraints excluded: chain s residue 263 VAL Chi-restraints excluded: chain s residue 274 SER Chi-restraints excluded: chain t residue 48 GLN Chi-restraints excluded: chain t residue 92 CYS Chi-restraints excluded: chain t residue 101 LEU Chi-restraints excluded: chain t residue 124 VAL Chi-restraints excluded: chain t residue 128 LEU Chi-restraints excluded: chain t residue 148 THR Chi-restraints excluded: chain t residue 149 THR Chi-restraints excluded: chain t residue 174 THR Chi-restraints excluded: chain t residue 199 ILE Chi-restraints excluded: chain t residue 239 VAL Chi-restraints excluded: chain t residue 263 VAL Chi-restraints excluded: chain u residue 48 GLN Chi-restraints excluded: chain u residue 92 CYS Chi-restraints excluded: chain u residue 101 LEU Chi-restraints excluded: chain u residue 124 VAL Chi-restraints excluded: chain u residue 128 LEU Chi-restraints excluded: chain u residue 148 THR Chi-restraints excluded: chain u residue 149 THR Chi-restraints excluded: chain u residue 174 THR Chi-restraints excluded: chain u residue 199 ILE Chi-restraints excluded: chain u residue 239 VAL Chi-restraints excluded: chain u residue 263 VAL Chi-restraints excluded: chain v residue 48 GLN Chi-restraints excluded: chain v residue 92 CYS Chi-restraints excluded: chain v residue 101 LEU Chi-restraints excluded: chain v residue 124 VAL Chi-restraints excluded: chain v residue 128 LEU Chi-restraints excluded: chain v residue 148 THR Chi-restraints excluded: chain v residue 149 THR Chi-restraints excluded: chain v residue 174 THR Chi-restraints excluded: chain v residue 199 ILE Chi-restraints excluded: chain v residue 239 VAL Chi-restraints excluded: chain v residue 263 VAL Chi-restraints excluded: chain w residue 80 MET Chi-restraints excluded: chain w residue 92 CYS Chi-restraints excluded: chain w residue 101 LEU Chi-restraints excluded: chain w residue 124 VAL Chi-restraints excluded: chain w residue 149 THR Chi-restraints excluded: chain w residue 167 LEU Chi-restraints excluded: chain w residue 174 THR Chi-restraints excluded: chain w residue 239 VAL Chi-restraints excluded: chain w residue 263 VAL Chi-restraints excluded: chain w residue 274 SER Chi-restraints excluded: chain x residue 48 GLN Chi-restraints excluded: chain x residue 68 ASN Chi-restraints excluded: chain x residue 101 LEU Chi-restraints excluded: chain x residue 123 LYS Chi-restraints excluded: chain x residue 148 THR Chi-restraints excluded: chain x residue 149 THR Chi-restraints excluded: chain x residue 157 MET Chi-restraints excluded: chain x residue 174 THR Chi-restraints excluded: chain x residue 180 VAL Chi-restraints excluded: chain x residue 239 VAL Chi-restraints excluded: chain x residue 312 ASN Chi-restraints excluded: chain x residue 325 LEU Chi-restraints excluded: chain y residue 48 GLN Chi-restraints excluded: chain y residue 68 ASN Chi-restraints excluded: chain y residue 80 MET Chi-restraints excluded: chain y residue 92 CYS Chi-restraints excluded: chain y residue 124 VAL Chi-restraints excluded: chain y residue 129 SER Chi-restraints excluded: chain y residue 149 THR Chi-restraints excluded: chain y residue 167 LEU Chi-restraints excluded: chain y residue 221 SER Chi-restraints excluded: chain y residue 239 VAL Chi-restraints excluded: chain y residue 263 VAL Chi-restraints excluded: chain z residue 48 GLN Chi-restraints excluded: chain z residue 68 ASN Chi-restraints excluded: chain z residue 80 MET Chi-restraints excluded: chain z residue 92 CYS Chi-restraints excluded: chain z residue 124 VAL Chi-restraints excluded: chain z residue 129 SER Chi-restraints excluded: chain z residue 149 THR Chi-restraints excluded: chain z residue 167 LEU Chi-restraints excluded: chain z residue 221 SER Chi-restraints excluded: chain z residue 239 VAL Chi-restraints excluded: chain z residue 263 VAL Chi-restraints excluded: chain 7 residue 48 GLN Chi-restraints excluded: chain 7 residue 68 ASN Chi-restraints excluded: chain 7 residue 80 MET Chi-restraints excluded: chain 7 residue 92 CYS Chi-restraints excluded: chain 7 residue 124 VAL Chi-restraints excluded: chain 7 residue 129 SER Chi-restraints excluded: chain 7 residue 149 THR Chi-restraints excluded: chain 7 residue 167 LEU Chi-restraints excluded: chain 7 residue 221 SER Chi-restraints excluded: chain 7 residue 239 VAL Chi-restraints excluded: chain 7 residue 263 VAL Chi-restraints excluded: chain 8 residue 80 MET Chi-restraints excluded: chain 8 residue 92 CYS Chi-restraints excluded: chain 8 residue 123 LYS Chi-restraints excluded: chain 8 residue 124 VAL Chi-restraints excluded: chain 8 residue 148 THR Chi-restraints excluded: chain 8 residue 149 THR Chi-restraints excluded: chain 8 residue 168 SER Chi-restraints excluded: chain 8 residue 199 ILE Chi-restraints excluded: chain 8 residue 239 VAL Chi-restraints excluded: chain 8 residue 340 LYS Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1860 random chunks: chunk 1735 optimal weight: 3.9990 chunk 202 optimal weight: 8.9990 chunk 1025 optimal weight: 7.9990 chunk 1314 optimal weight: 3.9990 chunk 1018 optimal weight: 0.8980 chunk 1514 optimal weight: 0.5980 chunk 1004 optimal weight: 4.9990 chunk 1792 optimal weight: 4.9990 chunk 1121 optimal weight: 4.9990 chunk 1092 optimal weight: 2.9990 chunk 827 optimal weight: 5.9990 overall best weight: 2.4986 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 152 ASN A 317 ASN A 328 GLN B 152 ASN ** B 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 317 ASN C 152 ASN ** C 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 328 GLN D 152 ASN D 213 GLN D 236 ASN D 328 GLN E 152 ASN E 213 GLN ** E 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 152 ASN ** F 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 317 ASN F 328 GLN G 152 ASN G 213 GLN ** G 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 152 ASN H 213 GLN ** H 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 328 GLN I 152 ASN ** I 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 328 GLN J 106 HIS J 152 ASN ** J 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 236 ASN J 317 ASN K 152 ASN ** K 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 328 GLN L 106 HIS L 152 ASN ** L 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 241 GLN L 317 ASN M 152 ASN M 213 GLN ** M 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 152 ASN N 213 GLN N 236 ASN N 328 GLN O 152 ASN O 213 GLN ** O 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 152 ASN P 213 GLN P 328 GLN Q 152 ASN ** Q 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 328 GLN R 152 ASN ** R 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** R 317 ASN S 152 ASN ** S 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** S 317 ASN T 152 ASN ** T 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 328 GLN U 106 HIS U 152 ASN ** U 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** U 241 GLN U 317 ASN V 152 ASN ** V 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 328 GLN W 152 ASN ** W 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** W 213 GLN W 328 GLN X 152 ASN X 213 GLN ** X 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 152 ASN ** Y 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Y 213 GLN Y 328 GLN Z 152 ASN Z 213 GLN ** Z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 152 ASN ** 1 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 317 ASN 1 328 GLN 2 152 ASN 2 317 ASN 2 328 GLN 3 152 ASN 3 317 ASN 3 328 GLN 4 152 ASN ** 4 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 317 ASN 4 328 GLN 5 152 ASN 5 317 ASN 5 328 GLN 6 152 ASN ** 6 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 317 ASN 6 328 GLN a 152 ASN ** a 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 328 GLN b 152 ASN b 213 GLN ** b 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 152 ASN ** c 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** c 213 GLN c 284 GLN c 328 GLN d 152 ASN ** d 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** d 213 GLN ** d 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 328 GLN e 152 ASN e 159 HIS e 213 GLN ** e 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 328 GLN f 152 ASN f 213 GLN ** f 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 152 ASN ** g 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 328 GLN h 152 ASN h 317 ASN h 328 GLN i 152 ASN i 213 GLN ** i 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 152 ASN ** j 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 328 GLN k 152 ASN ** k 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** k 317 ASN l 106 HIS l 152 ASN ** l 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** l 236 ASN l 317 ASN m 152 ASN ** m 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** m 241 GLN m 317 ASN n 152 ASN n 213 GLN ** n 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 152 ASN ** o 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 328 GLN p 152 ASN ** p 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 317 ASN p 328 GLN q 152 ASN q 213 GLN ** q 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 152 ASN ** r 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 328 GLN s 152 ASN ** s 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 317 ASN s 328 GLN t 106 HIS t 152 ASN ** t 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** t 241 GLN t 317 ASN u 152 ASN ** u 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** u 241 GLN u 317 ASN v 106 HIS v 152 ASN ** v 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** v 241 GLN v 317 ASN w 152 ASN ** w 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 317 ASN w 328 GLN x 152 ASN ** x 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 328 GLN y 213 GLN ** y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 328 GLN z 152 ASN z 213 GLN z 236 ASN z 328 GLN 7 152 ASN 7 213 GLN 7 328 GLN 8 152 ASN 8 213 GLN ** 8 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 162 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8529 moved from start: 0.2867 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.006 0.048 155760 Z= 0.367 Angle : 0.622 7.970 211920 Z= 0.338 Chirality : 0.050 0.179 23220 Planarity : 0.004 0.046 27240 Dihedral : 6.497 58.729 20640 Min Nonbonded Distance : 2.070 Molprobity Statistics. All-atom Clashscore : 13.05 Ramachandran Plot: Outliers : 0.00 % Allowed : 6.63 % Favored : 93.37 % Rotamer: Outliers : 5.48 % Allowed : 14.52 % Favored : 80.01 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.13 (0.06), residues: 18780 helix: -2.71 (0.15), residues: 840 sheet: -0.46 (0.07), residues: 6180 loop : -0.72 (0.06), residues: 11760 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.014 0.002 TRP g 211 HIS 0.006 0.001 HIS 7 159 PHE 0.026 0.003 PHE V 285 TYR 0.013 0.002 TYR m 171 ARG 0.010 0.001 ARG H 61 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 37560 Ramachandran restraints generated. 18780 Oldfield, 0 Emsley, 18780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 37560 Ramachandran restraints generated. 18780 Oldfield, 0 Emsley, 18780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3411 residues out of total 16980 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 930 poor density : 2481 time to evaluate : 13.428 Fit side-chains REVERT: A 123 LYS cc_start: 0.8283 (tptm) cc_final: 0.8074 (tptm) REVERT: B 51 ASP cc_start: 0.8315 (t70) cc_final: 0.8112 (t70) REVERT: B 80 MET cc_start: 0.9143 (ptt) cc_final: 0.8780 (ptt) REVERT: B 328 GLN cc_start: 0.8774 (OUTLIER) cc_final: 0.7425 (mp10) REVERT: B 364 MET cc_start: 0.8690 (ptp) cc_final: 0.8411 (ptm) REVERT: C 48 GLN cc_start: 0.8502 (OUTLIER) cc_final: 0.8103 (mt0) REVERT: C 123 LYS cc_start: 0.8367 (OUTLIER) cc_final: 0.7947 (tptm) REVERT: D 48 GLN cc_start: 0.8660 (OUTLIER) cc_final: 0.8342 (mt0) REVERT: D 167 LEU cc_start: 0.9076 (OUTLIER) cc_final: 0.8684 (mt) REVERT: D 236 ASN cc_start: 0.8143 (OUTLIER) cc_final: 0.7939 (p0) REVERT: E 123 LYS cc_start: 0.8306 (OUTLIER) cc_final: 0.8052 (tttt) REVERT: E 199 ILE cc_start: 0.9192 (OUTLIER) cc_final: 0.8890 (mt) REVERT: F 123 LYS cc_start: 0.8290 (tptm) cc_final: 0.8080 (tptm) REVERT: G 123 LYS cc_start: 0.8306 (OUTLIER) cc_final: 0.8053 (tttt) REVERT: G 199 ILE cc_start: 0.9187 (OUTLIER) cc_final: 0.8883 (mt) REVERT: G 233 ASP cc_start: 0.8244 (t0) cc_final: 0.7935 (t70) REVERT: H 48 GLN cc_start: 0.8662 (OUTLIER) cc_final: 0.8339 (mt0) REVERT: H 167 LEU cc_start: 0.9080 (OUTLIER) cc_final: 0.8694 (mt) REVERT: H 362 MET cc_start: 0.8833 (mtp) cc_final: 0.8356 (mtp) REVERT: I 48 GLN cc_start: 0.8486 (OUTLIER) cc_final: 0.8076 (mt0) REVERT: I 123 LYS cc_start: 0.8367 (OUTLIER) cc_final: 0.7949 (tptm) REVERT: J 51 ASP cc_start: 0.8344 (t70) cc_final: 0.8143 (t70) REVERT: J 364 MET cc_start: 0.8689 (ptp) cc_final: 0.8424 (ptm) REVERT: K 48 GLN cc_start: 0.8506 (OUTLIER) cc_final: 0.8095 (mt0) REVERT: K 123 LYS cc_start: 0.8341 (OUTLIER) cc_final: 0.7917 (tptm) REVERT: L 80 MET cc_start: 0.9149 (ptt) cc_final: 0.8782 (ptt) REVERT: L 364 MET cc_start: 0.8668 (ptp) cc_final: 0.8442 (ptm) REVERT: M 123 LYS cc_start: 0.8305 (OUTLIER) cc_final: 0.8051 (tttt) REVERT: M 199 ILE cc_start: 0.9184 (OUTLIER) cc_final: 0.8888 (mt) REVERT: N 48 GLN cc_start: 0.8660 (OUTLIER) cc_final: 0.8342 (mt0) REVERT: N 167 LEU cc_start: 0.9083 (OUTLIER) cc_final: 0.8696 (mt) REVERT: N 236 ASN cc_start: 0.8141 (OUTLIER) cc_final: 0.7940 (p0) REVERT: O 123 LYS cc_start: 0.8295 (OUTLIER) cc_final: 0.8041 (ttpt) REVERT: O 199 ILE cc_start: 0.9186 (OUTLIER) cc_final: 0.8888 (mt) REVERT: P 48 GLN cc_start: 0.8661 (OUTLIER) cc_final: 0.8341 (mt0) REVERT: P 167 LEU cc_start: 0.9081 (OUTLIER) cc_final: 0.8692 (mt) REVERT: Q 48 GLN cc_start: 0.8489 (OUTLIER) cc_final: 0.8064 (mt0) REVERT: Q 123 LYS cc_start: 0.8370 (OUTLIER) cc_final: 0.7943 (tptm) REVERT: R 51 ASP cc_start: 0.8317 (t70) cc_final: 0.8116 (t70) REVERT: R 80 MET cc_start: 0.9149 (ptt) cc_final: 0.8780 (ptt) REVERT: R 328 GLN cc_start: 0.8766 (OUTLIER) cc_final: 0.7402 (mp10) REVERT: R 364 MET cc_start: 0.8684 (ptp) cc_final: 0.8407 (ptm) REVERT: S 51 ASP cc_start: 0.8336 (t70) cc_final: 0.8133 (t70) REVERT: S 364 MET cc_start: 0.8683 (ptp) cc_final: 0.8423 (ptm) REVERT: T 48 GLN cc_start: 0.8518 (OUTLIER) cc_final: 0.8117 (mt0) REVERT: T 123 LYS cc_start: 0.8362 (OUTLIER) cc_final: 0.7939 (tptm) REVERT: U 51 ASP cc_start: 0.8341 (t70) cc_final: 0.8140 (t70) REVERT: U 80 MET cc_start: 0.9149 (ptt) cc_final: 0.8792 (ptt) REVERT: U 364 MET cc_start: 0.8674 (ptp) cc_final: 0.8444 (ptm) REVERT: V 48 GLN cc_start: 0.8488 (OUTLIER) cc_final: 0.8063 (mt0) REVERT: V 123 LYS cc_start: 0.8327 (OUTLIER) cc_final: 0.7921 (tptm) REVERT: W 48 GLN cc_start: 0.8662 (OUTLIER) cc_final: 0.8343 (mt0) REVERT: W 167 LEU cc_start: 0.9084 (OUTLIER) cc_final: 0.8694 (mt) REVERT: X 123 LYS cc_start: 0.8317 (OUTLIER) cc_final: 0.8057 (tttt) REVERT: X 199 ILE cc_start: 0.9176 (OUTLIER) cc_final: 0.8884 (mt) REVERT: Y 48 GLN cc_start: 0.8661 (OUTLIER) cc_final: 0.8347 (mt0) REVERT: Y 167 LEU cc_start: 0.9079 (OUTLIER) cc_final: 0.8691 (mt) REVERT: Z 123 LYS cc_start: 0.8316 (OUTLIER) cc_final: 0.8054 (tttt) REVERT: Z 199 ILE cc_start: 0.9172 (OUTLIER) cc_final: 0.8882 (mt) REVERT: 1 123 LYS cc_start: 0.8287 (tptm) cc_final: 0.8082 (tptm) REVERT: 2 123 LYS cc_start: 0.8292 (tptm) cc_final: 0.8081 (tptm) REVERT: 3 123 LYS cc_start: 0.8284 (tptm) cc_final: 0.8074 (tptm) REVERT: 4 123 LYS cc_start: 0.8279 (tptm) cc_final: 0.8072 (tptm) REVERT: 5 123 LYS cc_start: 0.8291 (tptm) cc_final: 0.8086 (tptm) REVERT: 6 123 LYS cc_start: 0.8303 (tptm) cc_final: 0.8088 (tptm) REVERT: a 48 GLN cc_start: 0.8504 (OUTLIER) cc_final: 0.8088 (mt0) REVERT: a 89 ARG cc_start: 0.8321 (OUTLIER) cc_final: 0.8045 (ttm170) REVERT: a 123 LYS cc_start: 0.8355 (OUTLIER) cc_final: 0.7944 (tptm) REVERT: b 199 ILE cc_start: 0.9185 (OUTLIER) cc_final: 0.8882 (mt) REVERT: c 48 GLN cc_start: 0.8675 (OUTLIER) cc_final: 0.8352 (mt0) REVERT: c 167 LEU cc_start: 0.9077 (OUTLIER) cc_final: 0.8682 (mt) REVERT: c 362 MET cc_start: 0.8833 (mtp) cc_final: 0.8357 (mtp) REVERT: d 48 GLN cc_start: 0.8653 (OUTLIER) cc_final: 0.8335 (mt0) REVERT: d 167 LEU cc_start: 0.9077 (OUTLIER) cc_final: 0.8688 (mt) REVERT: d 362 MET cc_start: 0.8841 (mtp) cc_final: 0.8351 (mtp) REVERT: e 48 GLN cc_start: 0.8643 (OUTLIER) cc_final: 0.8333 (mt0) REVERT: e 167 LEU cc_start: 0.9091 (OUTLIER) cc_final: 0.8698 (mt) REVERT: f 123 LYS cc_start: 0.8317 (OUTLIER) cc_final: 0.8067 (tttt) REVERT: f 199 ILE cc_start: 0.9183 (OUTLIER) cc_final: 0.8876 (mt) REVERT: f 233 ASP cc_start: 0.8147 (t0) cc_final: 0.7924 (t70) REVERT: g 48 GLN cc_start: 0.8507 (OUTLIER) cc_final: 0.8094 (mt0) REVERT: g 123 LYS cc_start: 0.8370 (OUTLIER) cc_final: 0.7941 (tptm) REVERT: h 123 LYS cc_start: 0.8292 (tptm) cc_final: 0.8083 (tptm) REVERT: i 123 LYS cc_start: 0.8303 (OUTLIER) cc_final: 0.8048 (tttt) REVERT: i 199 ILE cc_start: 0.9188 (OUTLIER) cc_final: 0.8883 (mt) REVERT: j 48 GLN cc_start: 0.8499 (OUTLIER) cc_final: 0.8096 (mt0) REVERT: j 123 LYS cc_start: 0.8366 (OUTLIER) cc_final: 0.7948 (tptm) REVERT: k 80 MET cc_start: 0.9146 (ptt) cc_final: 0.8788 (ptt) REVERT: k 286 LYS cc_start: 0.8613 (mtpt) cc_final: 0.8374 (mtmt) REVERT: k 328 GLN cc_start: 0.8767 (OUTLIER) cc_final: 0.7415 (mp10) REVERT: k 364 MET cc_start: 0.8693 (ptp) cc_final: 0.8413 (ptm) REVERT: l 51 ASP cc_start: 0.8319 (t70) cc_final: 0.8097 (t70) REVERT: l 364 MET cc_start: 0.8681 (ptp) cc_final: 0.8418 (ptm) REVERT: m 51 ASP cc_start: 0.8336 (t70) cc_final: 0.8135 (t70) REVERT: m 80 MET cc_start: 0.9142 (ptt) cc_final: 0.8811 (ptt) REVERT: m 364 MET cc_start: 0.8673 (ptp) cc_final: 0.8442 (ptm) REVERT: n 123 LYS cc_start: 0.8314 (OUTLIER) cc_final: 0.8054 (tttt) REVERT: n 199 ILE cc_start: 0.9175 (OUTLIER) cc_final: 0.8881 (mt) REVERT: o 48 GLN cc_start: 0.8483 (OUTLIER) cc_final: 0.8057 (mt0) REVERT: o 123 LYS cc_start: 0.8364 (OUTLIER) cc_final: 0.7942 (tptm) REVERT: p 123 LYS cc_start: 0.8298 (tptm) cc_final: 0.8088 (tptm) REVERT: q 199 ILE cc_start: 0.9177 (OUTLIER) cc_final: 0.8883 (mt) REVERT: r 48 GLN cc_start: 0.8506 (OUTLIER) cc_final: 0.8093 (mt0) REVERT: r 123 LYS cc_start: 0.8385 (OUTLIER) cc_final: 0.7956 (tptm) REVERT: s 123 LYS cc_start: 0.8290 (tptm) cc_final: 0.8085 (tptm) REVERT: t 51 ASP cc_start: 0.8339 (t70) cc_final: 0.8132 (t70) REVERT: t 80 MET cc_start: 0.9152 (ptt) cc_final: 0.8785 (ptt) REVERT: t 364 MET cc_start: 0.8686 (ptp) cc_final: 0.8423 (ptm) REVERT: u 51 ASP cc_start: 0.8334 (t70) cc_final: 0.8124 (t70) REVERT: u 80 MET cc_start: 0.9151 (ptt) cc_final: 0.8783 (ptt) REVERT: u 364 MET cc_start: 0.8688 (ptp) cc_final: 0.8426 (ptm) REVERT: v 51 ASP cc_start: 0.8341 (t70) cc_final: 0.8133 (t70) REVERT: v 364 MET cc_start: 0.8686 (ptp) cc_final: 0.8426 (ptm) REVERT: w 123 LYS cc_start: 0.8292 (tptm) cc_final: 0.8084 (tptm) REVERT: x 48 GLN cc_start: 0.8483 (OUTLIER) cc_final: 0.8057 (mt0) REVERT: x 123 LYS cc_start: 0.8322 (OUTLIER) cc_final: 0.7908 (tptm) REVERT: y 48 GLN cc_start: 0.8659 (OUTLIER) cc_final: 0.8344 (mt0) REVERT: y 167 LEU cc_start: 0.9083 (OUTLIER) cc_final: 0.8697 (mt) REVERT: z 48 GLN cc_start: 0.8664 (OUTLIER) cc_final: 0.8342 (mt0) REVERT: z 167 LEU cc_start: 0.9087 (OUTLIER) cc_final: 0.8698 (mt) REVERT: z 236 ASN cc_start: 0.8137 (OUTLIER) cc_final: 0.7934 (p0) REVERT: 7 48 GLN cc_start: 0.8661 (OUTLIER) cc_final: 0.8346 (mt0) REVERT: 7 167 LEU cc_start: 0.9081 (OUTLIER) cc_final: 0.8693 (mt) REVERT: 8 123 LYS cc_start: 0.8332 (OUTLIER) cc_final: 0.8071 (tttt) REVERT: 8 199 ILE cc_start: 0.9182 (OUTLIER) cc_final: 0.8886 (mt) outliers start: 930 outliers final: 585 residues processed: 3119 average time/residue: 2.0994 time to fit residues: 9586.0787 Evaluate side-chains 3028 residues out of total 16980 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 662 poor density : 2366 time to evaluate : 13.109 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 80 MET Chi-restraints excluded: chain A residue 92 CYS Chi-restraints excluded: chain A residue 124 VAL Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 163 ASP Chi-restraints excluded: chain A residue 167 LEU Chi-restraints excluded: chain A residue 170 VAL Chi-restraints excluded: chain A residue 174 THR Chi-restraints excluded: chain A residue 207 LYS Chi-restraints excluded: chain A residue 239 VAL Chi-restraints excluded: chain A residue 263 VAL Chi-restraints excluded: chain A residue 274 SER Chi-restraints excluded: chain B residue 48 GLN Chi-restraints excluded: chain B residue 92 CYS Chi-restraints excluded: chain B residue 101 LEU Chi-restraints excluded: chain B residue 124 VAL Chi-restraints excluded: chain B residue 148 THR Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 174 THR Chi-restraints excluded: chain B residue 199 ILE Chi-restraints excluded: chain B residue 239 VAL Chi-restraints excluded: chain B residue 243 ASN Chi-restraints excluded: chain B residue 263 VAL Chi-restraints excluded: chain B residue 328 GLN Chi-restraints excluded: chain C residue 48 GLN Chi-restraints excluded: chain C residue 68 ASN Chi-restraints excluded: chain C residue 101 LEU Chi-restraints excluded: chain C residue 123 LYS Chi-restraints excluded: chain C residue 148 THR Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 174 THR Chi-restraints excluded: chain C residue 180 VAL Chi-restraints excluded: chain C residue 239 VAL Chi-restraints excluded: chain C residue 274 SER Chi-restraints excluded: chain C residue 312 ASN Chi-restraints excluded: chain C residue 325 LEU Chi-restraints excluded: chain D residue 48 GLN Chi-restraints excluded: chain D residue 68 ASN Chi-restraints excluded: chain D residue 80 MET Chi-restraints excluded: chain D residue 92 CYS Chi-restraints excluded: chain D residue 124 VAL Chi-restraints excluded: chain D residue 129 SER Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 167 LEU Chi-restraints excluded: chain D residue 221 SER Chi-restraints excluded: chain D residue 236 ASN Chi-restraints excluded: chain D residue 239 VAL Chi-restraints excluded: chain D residue 263 VAL Chi-restraints excluded: chain E residue 80 MET Chi-restraints excluded: chain E residue 92 CYS Chi-restraints excluded: chain E residue 123 LYS Chi-restraints excluded: chain E residue 124 VAL Chi-restraints excluded: chain E residue 148 THR Chi-restraints excluded: chain E residue 149 THR Chi-restraints excluded: chain E residue 168 SER Chi-restraints excluded: chain E residue 199 ILE Chi-restraints excluded: chain E residue 239 VAL Chi-restraints excluded: chain F residue 80 MET Chi-restraints excluded: chain F residue 92 CYS Chi-restraints excluded: chain F residue 124 VAL Chi-restraints excluded: chain F residue 149 THR Chi-restraints excluded: chain F residue 167 LEU Chi-restraints excluded: chain F residue 170 VAL Chi-restraints excluded: chain F residue 174 THR Chi-restraints excluded: chain F residue 207 LYS Chi-restraints excluded: chain F residue 239 VAL Chi-restraints excluded: chain F residue 263 VAL Chi-restraints excluded: chain F residue 274 SER Chi-restraints excluded: chain G residue 80 MET Chi-restraints excluded: chain G residue 92 CYS Chi-restraints excluded: chain G residue 123 LYS Chi-restraints excluded: chain G residue 124 VAL Chi-restraints excluded: chain G residue 148 THR Chi-restraints excluded: chain G residue 149 THR Chi-restraints excluded: chain G residue 168 SER Chi-restraints excluded: chain G residue 199 ILE Chi-restraints excluded: chain G residue 239 VAL Chi-restraints excluded: chain H residue 48 GLN Chi-restraints excluded: chain H residue 68 ASN Chi-restraints excluded: chain H residue 80 MET Chi-restraints excluded: chain H residue 92 CYS Chi-restraints excluded: chain H residue 124 VAL Chi-restraints excluded: chain H residue 129 SER Chi-restraints excluded: chain H residue 149 THR Chi-restraints excluded: chain H residue 167 LEU Chi-restraints excluded: chain H residue 221 SER Chi-restraints excluded: chain H residue 239 VAL Chi-restraints excluded: chain H residue 263 VAL Chi-restraints excluded: chain I residue 48 GLN Chi-restraints excluded: chain I residue 68 ASN Chi-restraints excluded: chain I residue 101 LEU Chi-restraints excluded: chain I residue 123 LYS Chi-restraints excluded: chain I residue 148 THR Chi-restraints excluded: chain I residue 149 THR Chi-restraints excluded: chain I residue 174 THR Chi-restraints excluded: chain I residue 180 VAL Chi-restraints excluded: chain I residue 239 VAL Chi-restraints excluded: chain I residue 274 SER Chi-restraints excluded: chain I residue 312 ASN Chi-restraints excluded: chain I residue 325 LEU Chi-restraints excluded: chain J residue 48 GLN Chi-restraints excluded: chain J residue 92 CYS Chi-restraints excluded: chain J residue 101 LEU Chi-restraints excluded: chain J residue 124 VAL Chi-restraints excluded: chain J residue 148 THR Chi-restraints excluded: chain J residue 149 THR Chi-restraints excluded: chain J residue 174 THR Chi-restraints excluded: chain J residue 199 ILE Chi-restraints excluded: chain J residue 239 VAL Chi-restraints excluded: chain J residue 243 ASN Chi-restraints excluded: chain J residue 263 VAL Chi-restraints excluded: chain K residue 48 GLN Chi-restraints excluded: chain K residue 68 ASN Chi-restraints excluded: chain K residue 101 LEU Chi-restraints excluded: chain K residue 123 LYS Chi-restraints excluded: chain K residue 148 THR Chi-restraints excluded: chain K residue 149 THR Chi-restraints excluded: chain K residue 174 THR Chi-restraints excluded: chain K residue 180 VAL Chi-restraints excluded: chain K residue 239 VAL Chi-restraints excluded: chain K residue 274 SER Chi-restraints excluded: chain K residue 312 ASN Chi-restraints excluded: chain K residue 325 LEU Chi-restraints excluded: chain L residue 48 GLN Chi-restraints excluded: chain L residue 92 CYS Chi-restraints excluded: chain L residue 101 LEU Chi-restraints excluded: chain L residue 124 VAL Chi-restraints excluded: chain L residue 148 THR Chi-restraints excluded: chain L residue 149 THR Chi-restraints excluded: chain L residue 174 THR Chi-restraints excluded: chain L residue 199 ILE Chi-restraints excluded: chain L residue 239 VAL Chi-restraints excluded: chain L residue 263 VAL Chi-restraints excluded: chain M residue 80 MET Chi-restraints excluded: chain M residue 92 CYS Chi-restraints excluded: chain M residue 123 LYS Chi-restraints excluded: chain M residue 124 VAL Chi-restraints excluded: chain M residue 148 THR Chi-restraints excluded: chain M residue 149 THR Chi-restraints excluded: chain M residue 168 SER Chi-restraints excluded: chain M residue 199 ILE Chi-restraints excluded: chain M residue 239 VAL Chi-restraints excluded: chain N residue 48 GLN Chi-restraints excluded: chain N residue 68 ASN Chi-restraints excluded: chain N residue 80 MET Chi-restraints excluded: chain N residue 92 CYS Chi-restraints excluded: chain N residue 124 VAL Chi-restraints excluded: chain N residue 129 SER Chi-restraints excluded: chain N residue 149 THR Chi-restraints excluded: chain N residue 167 LEU Chi-restraints excluded: chain N residue 221 SER Chi-restraints excluded: chain N residue 236 ASN Chi-restraints excluded: chain N residue 239 VAL Chi-restraints excluded: chain N residue 263 VAL Chi-restraints excluded: chain O residue 80 MET Chi-restraints excluded: chain O residue 92 CYS Chi-restraints excluded: chain O residue 123 LYS Chi-restraints excluded: chain O residue 124 VAL Chi-restraints excluded: chain O residue 148 THR Chi-restraints excluded: chain O residue 149 THR Chi-restraints excluded: chain O residue 168 SER Chi-restraints excluded: chain O residue 199 ILE Chi-restraints excluded: chain O residue 239 VAL Chi-restraints excluded: chain O residue 340 LYS Chi-restraints excluded: chain P residue 48 GLN Chi-restraints excluded: chain P residue 68 ASN Chi-restraints excluded: chain P residue 80 MET Chi-restraints excluded: chain P residue 92 CYS Chi-restraints excluded: chain P residue 124 VAL Chi-restraints excluded: chain P residue 129 SER Chi-restraints excluded: chain P residue 149 THR Chi-restraints excluded: chain P residue 167 LEU Chi-restraints excluded: chain P residue 221 SER Chi-restraints excluded: chain P residue 239 VAL Chi-restraints excluded: chain P residue 263 VAL Chi-restraints excluded: chain P residue 361 LYS Chi-restraints excluded: chain Q residue 48 GLN Chi-restraints excluded: chain Q residue 68 ASN Chi-restraints excluded: chain Q residue 101 LEU Chi-restraints excluded: chain Q residue 123 LYS Chi-restraints excluded: chain Q residue 148 THR Chi-restraints excluded: chain Q residue 149 THR Chi-restraints excluded: chain Q residue 174 THR Chi-restraints excluded: chain Q residue 180 VAL Chi-restraints excluded: chain Q residue 239 VAL Chi-restraints excluded: chain Q residue 274 SER Chi-restraints excluded: chain Q residue 312 ASN Chi-restraints excluded: chain Q residue 325 LEU Chi-restraints excluded: chain R residue 48 GLN Chi-restraints excluded: chain R residue 92 CYS Chi-restraints excluded: chain R residue 101 LEU Chi-restraints excluded: chain R residue 124 VAL Chi-restraints excluded: chain R residue 148 THR Chi-restraints excluded: chain R residue 149 THR Chi-restraints excluded: chain R residue 174 THR Chi-restraints excluded: chain R residue 199 ILE Chi-restraints excluded: chain R residue 239 VAL Chi-restraints excluded: chain R residue 243 ASN Chi-restraints excluded: chain R residue 263 VAL Chi-restraints excluded: chain R residue 328 GLN Chi-restraints excluded: chain S residue 48 GLN Chi-restraints excluded: chain S residue 92 CYS Chi-restraints excluded: chain S residue 101 LEU Chi-restraints excluded: chain S residue 124 VAL Chi-restraints excluded: chain S residue 148 THR Chi-restraints excluded: chain S residue 149 THR Chi-restraints excluded: chain S residue 174 THR Chi-restraints excluded: chain S residue 199 ILE Chi-restraints excluded: chain S residue 239 VAL Chi-restraints excluded: chain S residue 243 ASN Chi-restraints excluded: chain S residue 263 VAL Chi-restraints excluded: chain T residue 48 GLN Chi-restraints excluded: chain T residue 68 ASN Chi-restraints excluded: chain T residue 101 LEU Chi-restraints excluded: chain T residue 123 LYS Chi-restraints excluded: chain T residue 148 THR Chi-restraints excluded: chain T residue 149 THR Chi-restraints excluded: chain T residue 174 THR Chi-restraints excluded: chain T residue 180 VAL Chi-restraints excluded: chain T residue 239 VAL Chi-restraints excluded: chain T residue 274 SER Chi-restraints excluded: chain T residue 312 ASN Chi-restraints excluded: chain T residue 325 LEU Chi-restraints excluded: chain U residue 48 GLN Chi-restraints excluded: chain U residue 92 CYS Chi-restraints excluded: chain U residue 101 LEU Chi-restraints excluded: chain U residue 124 VAL Chi-restraints excluded: chain U residue 148 THR Chi-restraints excluded: chain U residue 149 THR Chi-restraints excluded: chain U residue 174 THR Chi-restraints excluded: chain U residue 199 ILE Chi-restraints excluded: chain U residue 239 VAL Chi-restraints excluded: chain U residue 263 VAL Chi-restraints excluded: chain V residue 48 GLN Chi-restraints excluded: chain V residue 68 ASN Chi-restraints excluded: chain V residue 101 LEU Chi-restraints excluded: chain V residue 123 LYS Chi-restraints excluded: chain V residue 148 THR Chi-restraints excluded: chain V residue 149 THR Chi-restraints excluded: chain V residue 174 THR Chi-restraints excluded: chain V residue 180 VAL Chi-restraints excluded: chain V residue 239 VAL Chi-restraints excluded: chain V residue 274 SER Chi-restraints excluded: chain V residue 312 ASN Chi-restraints excluded: chain V residue 325 LEU Chi-restraints excluded: chain W residue 48 GLN Chi-restraints excluded: chain W residue 68 ASN Chi-restraints excluded: chain W residue 80 MET Chi-restraints excluded: chain W residue 92 CYS Chi-restraints excluded: chain W residue 124 VAL Chi-restraints excluded: chain W residue 129 SER Chi-restraints excluded: chain W residue 149 THR Chi-restraints excluded: chain W residue 167 LEU Chi-restraints excluded: chain W residue 221 SER Chi-restraints excluded: chain W residue 239 VAL Chi-restraints excluded: chain W residue 263 VAL Chi-restraints excluded: chain X residue 80 MET Chi-restraints excluded: chain X residue 92 CYS Chi-restraints excluded: chain X residue 123 LYS Chi-restraints excluded: chain X residue 124 VAL Chi-restraints excluded: chain X residue 148 THR Chi-restraints excluded: chain X residue 149 THR Chi-restraints excluded: chain X residue 168 SER Chi-restraints excluded: chain X residue 199 ILE Chi-restraints excluded: chain X residue 239 VAL Chi-restraints excluded: chain Y residue 48 GLN Chi-restraints excluded: chain Y residue 68 ASN Chi-restraints excluded: chain Y residue 80 MET Chi-restraints excluded: chain Y residue 92 CYS Chi-restraints excluded: chain Y residue 124 VAL Chi-restraints excluded: chain Y residue 129 SER Chi-restraints excluded: chain Y residue 149 THR Chi-restraints excluded: chain Y residue 167 LEU Chi-restraints excluded: chain Y residue 221 SER Chi-restraints excluded: chain Y residue 239 VAL Chi-restraints excluded: chain Y residue 263 VAL Chi-restraints excluded: chain Z residue 80 MET Chi-restraints excluded: chain Z residue 92 CYS Chi-restraints excluded: chain Z residue 123 LYS Chi-restraints excluded: chain Z residue 124 VAL Chi-restraints excluded: chain Z residue 148 THR Chi-restraints excluded: chain Z residue 149 THR Chi-restraints excluded: chain Z residue 168 SER Chi-restraints excluded: chain Z residue 199 ILE Chi-restraints excluded: chain Z residue 239 VAL Chi-restraints excluded: chain 1 residue 80 MET Chi-restraints excluded: chain 1 residue 92 CYS Chi-restraints excluded: chain 1 residue 101 LEU Chi-restraints excluded: chain 1 residue 124 VAL Chi-restraints excluded: chain 1 residue 149 THR Chi-restraints excluded: chain 1 residue 163 ASP Chi-restraints excluded: chain 1 residue 167 LEU Chi-restraints excluded: chain 1 residue 170 VAL Chi-restraints excluded: chain 1 residue 174 THR Chi-restraints excluded: chain 1 residue 207 LYS Chi-restraints excluded: chain 1 residue 239 VAL Chi-restraints excluded: chain 1 residue 263 VAL Chi-restraints excluded: chain 1 residue 274 SER Chi-restraints excluded: chain 2 residue 80 MET Chi-restraints excluded: chain 2 residue 92 CYS Chi-restraints excluded: chain 2 residue 124 VAL Chi-restraints excluded: chain 2 residue 149 THR Chi-restraints excluded: chain 2 residue 163 ASP Chi-restraints excluded: chain 2 residue 167 LEU Chi-restraints excluded: chain 2 residue 170 VAL Chi-restraints excluded: chain 2 residue 174 THR Chi-restraints excluded: chain 2 residue 207 LYS Chi-restraints excluded: chain 2 residue 239 VAL Chi-restraints excluded: chain 2 residue 263 VAL Chi-restraints excluded: chain 2 residue 274 SER Chi-restraints excluded: chain 3 residue 80 MET Chi-restraints excluded: chain 3 residue 92 CYS Chi-restraints excluded: chain 3 residue 124 VAL Chi-restraints excluded: chain 3 residue 149 THR Chi-restraints excluded: chain 3 residue 163 ASP Chi-restraints excluded: chain 3 residue 167 LEU Chi-restraints excluded: chain 3 residue 170 VAL Chi-restraints excluded: chain 3 residue 174 THR Chi-restraints excluded: chain 3 residue 207 LYS Chi-restraints excluded: chain 3 residue 239 VAL Chi-restraints excluded: chain 3 residue 263 VAL Chi-restraints excluded: chain 3 residue 274 SER Chi-restraints excluded: chain 4 residue 80 MET Chi-restraints excluded: chain 4 residue 92 CYS Chi-restraints excluded: chain 4 residue 124 VAL Chi-restraints excluded: chain 4 residue 149 THR Chi-restraints excluded: chain 4 residue 163 ASP Chi-restraints excluded: chain 4 residue 167 LEU Chi-restraints excluded: chain 4 residue 170 VAL Chi-restraints excluded: chain 4 residue 174 THR Chi-restraints excluded: chain 4 residue 207 LYS Chi-restraints excluded: chain 4 residue 239 VAL Chi-restraints excluded: chain 4 residue 263 VAL Chi-restraints excluded: chain 4 residue 274 SER Chi-restraints excluded: chain 5 residue 80 MET Chi-restraints excluded: chain 5 residue 92 CYS Chi-restraints excluded: chain 5 residue 124 VAL Chi-restraints excluded: chain 5 residue 149 THR Chi-restraints excluded: chain 5 residue 167 LEU Chi-restraints excluded: chain 5 residue 170 VAL Chi-restraints excluded: chain 5 residue 174 THR Chi-restraints excluded: chain 5 residue 207 LYS Chi-restraints excluded: chain 5 residue 239 VAL Chi-restraints excluded: chain 5 residue 263 VAL Chi-restraints excluded: chain 5 residue 274 SER Chi-restraints excluded: chain 6 residue 80 MET Chi-restraints excluded: chain 6 residue 92 CYS Chi-restraints excluded: chain 6 residue 101 LEU Chi-restraints excluded: chain 6 residue 124 VAL Chi-restraints excluded: chain 6 residue 149 THR Chi-restraints excluded: chain 6 residue 167 LEU Chi-restraints excluded: chain 6 residue 170 VAL Chi-restraints excluded: chain 6 residue 174 THR Chi-restraints excluded: chain 6 residue 207 LYS Chi-restraints excluded: chain 6 residue 239 VAL Chi-restraints excluded: chain 6 residue 263 VAL Chi-restraints excluded: chain 6 residue 274 SER Chi-restraints excluded: chain a residue 48 GLN Chi-restraints excluded: chain a residue 68 ASN Chi-restraints excluded: chain a residue 89 ARG Chi-restraints excluded: chain a residue 101 LEU Chi-restraints excluded: chain a residue 123 LYS Chi-restraints excluded: chain a residue 148 THR Chi-restraints excluded: chain a residue 149 THR Chi-restraints excluded: chain a residue 157 MET Chi-restraints excluded: chain a residue 174 THR Chi-restraints excluded: chain a residue 180 VAL Chi-restraints excluded: chain a residue 239 VAL Chi-restraints excluded: chain a residue 274 SER Chi-restraints excluded: chain a residue 312 ASN Chi-restraints excluded: chain a residue 325 LEU Chi-restraints excluded: chain b residue 80 MET Chi-restraints excluded: chain b residue 92 CYS Chi-restraints excluded: chain b residue 124 VAL Chi-restraints excluded: chain b residue 148 THR Chi-restraints excluded: chain b residue 149 THR Chi-restraints excluded: chain b residue 168 SER Chi-restraints excluded: chain b residue 199 ILE Chi-restraints excluded: chain b residue 239 VAL Chi-restraints excluded: chain b residue 340 LYS Chi-restraints excluded: chain c residue 48 GLN Chi-restraints excluded: chain c residue 68 ASN Chi-restraints excluded: chain c residue 80 MET Chi-restraints excluded: chain c residue 92 CYS Chi-restraints excluded: chain c residue 124 VAL Chi-restraints excluded: chain c residue 129 SER Chi-restraints excluded: chain c residue 149 THR Chi-restraints excluded: chain c residue 167 LEU Chi-restraints excluded: chain c residue 221 SER Chi-restraints excluded: chain c residue 239 VAL Chi-restraints excluded: chain c residue 263 VAL Chi-restraints excluded: chain d residue 48 GLN Chi-restraints excluded: chain d residue 68 ASN Chi-restraints excluded: chain d residue 80 MET Chi-restraints excluded: chain d residue 92 CYS Chi-restraints excluded: chain d residue 124 VAL Chi-restraints excluded: chain d residue 129 SER Chi-restraints excluded: chain d residue 149 THR Chi-restraints excluded: chain d residue 167 LEU Chi-restraints excluded: chain d residue 221 SER Chi-restraints excluded: chain d residue 239 VAL Chi-restraints excluded: chain d residue 263 VAL Chi-restraints excluded: chain e residue 48 GLN Chi-restraints excluded: chain e residue 68 ASN Chi-restraints excluded: chain e residue 80 MET Chi-restraints excluded: chain e residue 92 CYS Chi-restraints excluded: chain e residue 124 VAL Chi-restraints excluded: chain e residue 129 SER Chi-restraints excluded: chain e residue 149 THR Chi-restraints excluded: chain e residue 167 LEU Chi-restraints excluded: chain e residue 239 VAL Chi-restraints excluded: chain e residue 263 VAL Chi-restraints excluded: chain e residue 361 LYS Chi-restraints excluded: chain f residue 80 MET Chi-restraints excluded: chain f residue 92 CYS Chi-restraints excluded: chain f residue 123 LYS Chi-restraints excluded: chain f residue 124 VAL Chi-restraints excluded: chain f residue 148 THR Chi-restraints excluded: chain f residue 149 THR Chi-restraints excluded: chain f residue 168 SER Chi-restraints excluded: chain f residue 199 ILE Chi-restraints excluded: chain f residue 239 VAL Chi-restraints excluded: chain g residue 48 GLN Chi-restraints excluded: chain g residue 51 ASP Chi-restraints excluded: chain g residue 68 ASN Chi-restraints excluded: chain g residue 101 LEU Chi-restraints excluded: chain g residue 123 LYS Chi-restraints excluded: chain g residue 148 THR Chi-restraints excluded: chain g residue 149 THR Chi-restraints excluded: chain g residue 174 THR Chi-restraints excluded: chain g residue 180 VAL Chi-restraints excluded: chain g residue 239 VAL Chi-restraints excluded: chain g residue 274 SER Chi-restraints excluded: chain g residue 312 ASN Chi-restraints excluded: chain g residue 325 LEU Chi-restraints excluded: chain h residue 80 MET Chi-restraints excluded: chain h residue 92 CYS Chi-restraints excluded: chain h residue 124 VAL Chi-restraints excluded: chain h residue 149 THR Chi-restraints excluded: chain h residue 167 LEU Chi-restraints excluded: chain h residue 170 VAL Chi-restraints excluded: chain h residue 174 THR Chi-restraints excluded: chain h residue 207 LYS Chi-restraints excluded: chain h residue 239 VAL Chi-restraints excluded: chain h residue 263 VAL Chi-restraints excluded: chain h residue 274 SER Chi-restraints excluded: chain i residue 80 MET Chi-restraints excluded: chain i residue 92 CYS Chi-restraints excluded: chain i residue 123 LYS Chi-restraints excluded: chain i residue 124 VAL Chi-restraints excluded: chain i residue 148 THR Chi-restraints excluded: chain i residue 149 THR Chi-restraints excluded: chain i residue 168 SER Chi-restraints excluded: chain i residue 199 ILE Chi-restraints excluded: chain i residue 239 VAL Chi-restraints excluded: chain j residue 48 GLN Chi-restraints excluded: chain j residue 68 ASN Chi-restraints excluded: chain j residue 101 LEU Chi-restraints excluded: chain j residue 123 LYS Chi-restraints excluded: chain j residue 148 THR Chi-restraints excluded: chain j residue 149 THR Chi-restraints excluded: chain j residue 174 THR Chi-restraints excluded: chain j residue 180 VAL Chi-restraints excluded: chain j residue 239 VAL Chi-restraints excluded: chain j residue 274 SER Chi-restraints excluded: chain j residue 312 ASN Chi-restraints excluded: chain j residue 325 LEU Chi-restraints excluded: chain k residue 48 GLN Chi-restraints excluded: chain k residue 92 CYS Chi-restraints excluded: chain k residue 101 LEU Chi-restraints excluded: chain k residue 124 VAL Chi-restraints excluded: chain k residue 148 THR Chi-restraints excluded: chain k residue 149 THR Chi-restraints excluded: chain k residue 174 THR Chi-restraints excluded: chain k residue 199 ILE Chi-restraints excluded: chain k residue 239 VAL Chi-restraints excluded: chain k residue 243 ASN Chi-restraints excluded: chain k residue 263 VAL Chi-restraints excluded: chain k residue 328 GLN Chi-restraints excluded: chain l residue 48 GLN Chi-restraints excluded: chain l residue 92 CYS Chi-restraints excluded: chain l residue 101 LEU Chi-restraints excluded: chain l residue 124 VAL Chi-restraints excluded: chain l residue 148 THR Chi-restraints excluded: chain l residue 149 THR Chi-restraints excluded: chain l residue 174 THR Chi-restraints excluded: chain l residue 199 ILE Chi-restraints excluded: chain l residue 239 VAL Chi-restraints excluded: chain l residue 243 ASN Chi-restraints excluded: chain l residue 263 VAL Chi-restraints excluded: chain m residue 48 GLN Chi-restraints excluded: chain m residue 92 CYS Chi-restraints excluded: chain m residue 101 LEU Chi-restraints excluded: chain m residue 124 VAL Chi-restraints excluded: chain m residue 148 THR Chi-restraints excluded: chain m residue 149 THR Chi-restraints excluded: chain m residue 174 THR Chi-restraints excluded: chain m residue 199 ILE Chi-restraints excluded: chain m residue 239 VAL Chi-restraints excluded: chain m residue 263 VAL Chi-restraints excluded: chain n residue 80 MET Chi-restraints excluded: chain n residue 92 CYS Chi-restraints excluded: chain n residue 123 LYS Chi-restraints excluded: chain n residue 124 VAL Chi-restraints excluded: chain n residue 148 THR Chi-restraints excluded: chain n residue 149 THR Chi-restraints excluded: chain n residue 168 SER Chi-restraints excluded: chain n residue 199 ILE Chi-restraints excluded: chain n residue 239 VAL Chi-restraints excluded: chain o residue 48 GLN Chi-restraints excluded: chain o residue 68 ASN Chi-restraints excluded: chain o residue 101 LEU Chi-restraints excluded: chain o residue 123 LYS Chi-restraints excluded: chain o residue 148 THR Chi-restraints excluded: chain o residue 149 THR Chi-restraints excluded: chain o residue 157 MET Chi-restraints excluded: chain o residue 174 THR Chi-restraints excluded: chain o residue 180 VAL Chi-restraints excluded: chain o residue 239 VAL Chi-restraints excluded: chain o residue 274 SER Chi-restraints excluded: chain o residue 312 ASN Chi-restraints excluded: chain o residue 325 LEU Chi-restraints excluded: chain p residue 80 MET Chi-restraints excluded: chain p residue 92 CYS Chi-restraints excluded: chain p residue 124 VAL Chi-restraints excluded: chain p residue 149 THR Chi-restraints excluded: chain p residue 167 LEU Chi-restraints excluded: chain p residue 170 VAL Chi-restraints excluded: chain p residue 174 THR Chi-restraints excluded: chain p residue 207 LYS Chi-restraints excluded: chain p residue 239 VAL Chi-restraints excluded: chain p residue 263 VAL Chi-restraints excluded: chain p residue 274 SER Chi-restraints excluded: chain q residue 80 MET Chi-restraints excluded: chain q residue 92 CYS Chi-restraints excluded: chain q residue 101 LEU Chi-restraints excluded: chain q residue 124 VAL Chi-restraints excluded: chain q residue 148 THR Chi-restraints excluded: chain q residue 149 THR Chi-restraints excluded: chain q residue 168 SER Chi-restraints excluded: chain q residue 199 ILE Chi-restraints excluded: chain q residue 239 VAL Chi-restraints excluded: chain r residue 48 GLN Chi-restraints excluded: chain r residue 68 ASN Chi-restraints excluded: chain r residue 101 LEU Chi-restraints excluded: chain r residue 123 LYS Chi-restraints excluded: chain r residue 148 THR Chi-restraints excluded: chain r residue 149 THR Chi-restraints excluded: chain r residue 174 THR Chi-restraints excluded: chain r residue 180 VAL Chi-restraints excluded: chain r residue 239 VAL Chi-restraints excluded: chain r residue 274 SER Chi-restraints excluded: chain r residue 312 ASN Chi-restraints excluded: chain r residue 325 LEU Chi-restraints excluded: chain s residue 80 MET Chi-restraints excluded: chain s residue 92 CYS Chi-restraints excluded: chain s residue 124 VAL Chi-restraints excluded: chain s residue 149 THR Chi-restraints excluded: chain s residue 167 LEU Chi-restraints excluded: chain s residue 170 VAL Chi-restraints excluded: chain s residue 174 THR Chi-restraints excluded: chain s residue 207 LYS Chi-restraints excluded: chain s residue 239 VAL Chi-restraints excluded: chain s residue 263 VAL Chi-restraints excluded: chain s residue 274 SER Chi-restraints excluded: chain t residue 48 GLN Chi-restraints excluded: chain t residue 92 CYS Chi-restraints excluded: chain t residue 101 LEU Chi-restraints excluded: chain t residue 124 VAL Chi-restraints excluded: chain t residue 148 THR Chi-restraints excluded: chain t residue 149 THR Chi-restraints excluded: chain t residue 174 THR Chi-restraints excluded: chain t residue 199 ILE Chi-restraints excluded: chain t residue 239 VAL Chi-restraints excluded: chain t residue 263 VAL Chi-restraints excluded: chain u residue 48 GLN Chi-restraints excluded: chain u residue 92 CYS Chi-restraints excluded: chain u residue 101 LEU Chi-restraints excluded: chain u residue 124 VAL Chi-restraints excluded: chain u residue 148 THR Chi-restraints excluded: chain u residue 149 THR Chi-restraints excluded: chain u residue 174 THR Chi-restraints excluded: chain u residue 199 ILE Chi-restraints excluded: chain u residue 239 VAL Chi-restraints excluded: chain u residue 263 VAL Chi-restraints excluded: chain v residue 48 GLN Chi-restraints excluded: chain v residue 92 CYS Chi-restraints excluded: chain v residue 101 LEU Chi-restraints excluded: chain v residue 124 VAL Chi-restraints excluded: chain v residue 148 THR Chi-restraints excluded: chain v residue 149 THR Chi-restraints excluded: chain v residue 174 THR Chi-restraints excluded: chain v residue 199 ILE Chi-restraints excluded: chain v residue 239 VAL Chi-restraints excluded: chain v residue 263 VAL Chi-restraints excluded: chain w residue 80 MET Chi-restraints excluded: chain w residue 92 CYS Chi-restraints excluded: chain w residue 124 VAL Chi-restraints excluded: chain w residue 149 THR Chi-restraints excluded: chain w residue 167 LEU Chi-restraints excluded: chain w residue 170 VAL Chi-restraints excluded: chain w residue 174 THR Chi-restraints excluded: chain w residue 207 LYS Chi-restraints excluded: chain w residue 239 VAL Chi-restraints excluded: chain w residue 263 VAL Chi-restraints excluded: chain w residue 274 SER Chi-restraints excluded: chain x residue 48 GLN Chi-restraints excluded: chain x residue 68 ASN Chi-restraints excluded: chain x residue 101 LEU Chi-restraints excluded: chain x residue 123 LYS Chi-restraints excluded: chain x residue 148 THR Chi-restraints excluded: chain x residue 149 THR Chi-restraints excluded: chain x residue 157 MET Chi-restraints excluded: chain x residue 174 THR Chi-restraints excluded: chain x residue 180 VAL Chi-restraints excluded: chain x residue 239 VAL Chi-restraints excluded: chain x residue 274 SER Chi-restraints excluded: chain x residue 312 ASN Chi-restraints excluded: chain x residue 325 LEU Chi-restraints excluded: chain y residue 48 GLN Chi-restraints excluded: chain y residue 68 ASN Chi-restraints excluded: chain y residue 80 MET Chi-restraints excluded: chain y residue 92 CYS Chi-restraints excluded: chain y residue 124 VAL Chi-restraints excluded: chain y residue 129 SER Chi-restraints excluded: chain y residue 149 THR Chi-restraints excluded: chain y residue 167 LEU Chi-restraints excluded: chain y residue 221 SER Chi-restraints excluded: chain y residue 239 VAL Chi-restraints excluded: chain y residue 263 VAL Chi-restraints excluded: chain z residue 48 GLN Chi-restraints excluded: chain z residue 68 ASN Chi-restraints excluded: chain z residue 80 MET Chi-restraints excluded: chain z residue 92 CYS Chi-restraints excluded: chain z residue 124 VAL Chi-restraints excluded: chain z residue 129 SER Chi-restraints excluded: chain z residue 149 THR Chi-restraints excluded: chain z residue 167 LEU Chi-restraints excluded: chain z residue 221 SER Chi-restraints excluded: chain z residue 236 ASN Chi-restraints excluded: chain z residue 239 VAL Chi-restraints excluded: chain z residue 263 VAL Chi-restraints excluded: chain 7 residue 48 GLN Chi-restraints excluded: chain 7 residue 68 ASN Chi-restraints excluded: chain 7 residue 80 MET Chi-restraints excluded: chain 7 residue 92 CYS Chi-restraints excluded: chain 7 residue 124 VAL Chi-restraints excluded: chain 7 residue 129 SER Chi-restraints excluded: chain 7 residue 149 THR Chi-restraints excluded: chain 7 residue 167 LEU Chi-restraints excluded: chain 7 residue 221 SER Chi-restraints excluded: chain 7 residue 239 VAL Chi-restraints excluded: chain 7 residue 263 VAL Chi-restraints excluded: chain 8 residue 80 MET Chi-restraints excluded: chain 8 residue 92 CYS Chi-restraints excluded: chain 8 residue 123 LYS Chi-restraints excluded: chain 8 residue 124 VAL Chi-restraints excluded: chain 8 residue 148 THR Chi-restraints excluded: chain 8 residue 149 THR Chi-restraints excluded: chain 8 residue 168 SER Chi-restraints excluded: chain 8 residue 199 ILE Chi-restraints excluded: chain 8 residue 239 VAL Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1860 random chunks: chunk 1109 optimal weight: 4.9990 chunk 715 optimal weight: 1.9990 chunk 1070 optimal weight: 5.9990 chunk 540 optimal weight: 4.9990 chunk 352 optimal weight: 1.9990 chunk 347 optimal weight: 0.7980 chunk 1139 optimal weight: 0.9980 chunk 1221 optimal weight: 2.9990 chunk 886 optimal weight: 0.8980 chunk 167 optimal weight: 0.0000 chunk 1409 optimal weight: 2.9990 overall best weight: 0.9386 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 152 ASN A 317 ASN A 328 GLN B 106 HIS B 152 ASN B 317 ASN C 152 ASN ** C 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 328 GLN D 152 ASN ** D 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 328 GLN E 152 ASN ** E 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 369 HIS F 152 ASN F 317 ASN F 328 GLN G 152 ASN ** G 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 152 ASN ** H 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 328 GLN I 152 ASN I 197 ASN ** I 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 328 GLN J 106 HIS J 152 ASN J 317 ASN K 152 ASN ** K 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 328 GLN L 106 HIS L 152 ASN ** L 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 317 ASN M 152 ASN ** M 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 152 ASN ** N 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 328 GLN O 152 ASN ** O 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 152 ASN ** P 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 328 GLN Q 152 ASN Q 197 ASN ** Q 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 328 GLN R 106 HIS R 152 ASN R 317 ASN S 152 ASN S 317 ASN T 152 ASN ** T 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 328 GLN U 106 HIS U 152 ASN U 317 ASN V 152 ASN ** V 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 328 GLN W 152 ASN ** W 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 328 GLN X 152 ASN X 213 GLN ** X 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 152 ASN ** Y 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 328 GLN Z 152 ASN Z 213 GLN ** Z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 152 ASN ** 1 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 317 ASN 1 328 GLN 2 152 ASN ** 2 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 317 ASN 2 328 GLN 3 152 ASN ** 3 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 317 ASN 3 328 GLN 4 152 ASN ** 4 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 317 ASN 4 328 GLN 5 152 ASN ** 5 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 317 ASN 5 328 GLN 6 152 ASN 6 317 ASN 6 328 GLN a 152 ASN ** a 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 328 GLN b 152 ASN b 213 GLN ** b 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 152 ASN ** c 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 284 GLN c 328 GLN d 152 ASN ** d 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 312 ASN d 328 GLN e 152 ASN ** e 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 290 GLN e 328 GLN f 152 ASN f 213 GLN ** f 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 369 HIS g 152 ASN ** g 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 328 GLN h 152 ASN h 317 ASN h 328 GLN i 152 ASN ** i 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 152 ASN j 197 ASN ** j 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 328 GLN k 106 HIS k 152 ASN k 317 ASN l 106 HIS l 152 ASN l 317 ASN m 106 HIS m 152 ASN ** m 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 317 ASN n 152 ASN n 213 GLN ** n 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 369 HIS o 152 ASN ** o 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 328 GLN p 152 ASN p 317 ASN p 328 GLN q 152 ASN q 213 GLN ** q 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 152 ASN ** r 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 328 GLN s 152 ASN ** s 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 317 ASN s 328 GLN t 106 HIS t 152 ASN ** t 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** t 317 ASN u 106 HIS u 152 ASN u 317 ASN v 106 HIS v 152 ASN ** v 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 317 ASN w 152 ASN ** w 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 317 ASN w 328 GLN x 152 ASN ** x 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 328 GLN y 152 ASN ** y 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 328 GLN z 152 ASN ** z 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 284 GLN z 328 GLN 7 152 ASN ** 7 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 328 GLN 8 152 ASN 8 213 GLN ** 8 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 148 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8441 moved from start: 0.3110 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.026 155760 Z= 0.198 Angle : 0.547 5.439 211920 Z= 0.294 Chirality : 0.047 0.173 23220 Planarity : 0.003 0.045 27240 Dihedral : 6.060 57.670 20640 Min Nonbonded Distance : 2.087 Molprobity Statistics. All-atom Clashscore : 12.97 Ramachandran Plot: Outliers : 0.00 % Allowed : 6.86 % Favored : 93.14 % Rotamer: Outliers : 4.24 % Allowed : 16.17 % Favored : 79.59 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.10 (0.06), residues: 18780 helix: -2.81 (0.14), residues: 960 sheet: -0.40 (0.07), residues: 6180 loop : -0.68 (0.06), residues: 11640 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.013 0.001 TRP V 211 HIS 0.006 0.001 HIS d 159 PHE 0.023 0.002 PHE X 285 TYR 0.014 0.001 TYR z 234 ARG 0.010 0.000 ARG e 61 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 37560 Ramachandran restraints generated. 18780 Oldfield, 0 Emsley, 18780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 37560 Ramachandran restraints generated. 18780 Oldfield, 0 Emsley, 18780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3254 residues out of total 16980 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 720 poor density : 2534 time to evaluate : 13.297 Fit side-chains REVERT: A 207 LYS cc_start: 0.8479 (OUTLIER) cc_final: 0.8231 (mtpp) REVERT: B 48 GLN cc_start: 0.8552 (OUTLIER) cc_final: 0.8333 (mt0) REVERT: B 80 MET cc_start: 0.9070 (ptt) cc_final: 0.8680 (ptt) REVERT: B 364 MET cc_start: 0.8681 (ptp) cc_final: 0.8370 (ptm) REVERT: C 48 GLN cc_start: 0.8312 (OUTLIER) cc_final: 0.8001 (mt0) REVERT: C 123 LYS cc_start: 0.8259 (OUTLIER) cc_final: 0.7822 (tptm) REVERT: D 48 GLN cc_start: 0.8492 (OUTLIER) cc_final: 0.8260 (mt0) REVERT: D 263 VAL cc_start: 0.8041 (OUTLIER) cc_final: 0.7708 (m) REVERT: D 362 MET cc_start: 0.8764 (mtp) cc_final: 0.8162 (mtp) REVERT: E 199 ILE cc_start: 0.8969 (OUTLIER) cc_final: 0.8640 (mt) REVERT: F 207 LYS cc_start: 0.8503 (OUTLIER) cc_final: 0.8238 (mtpp) REVERT: G 199 ILE cc_start: 0.8959 (OUTLIER) cc_final: 0.8630 (mt) REVERT: G 233 ASP cc_start: 0.8148 (t0) cc_final: 0.7887 (t70) REVERT: H 48 GLN cc_start: 0.8492 (OUTLIER) cc_final: 0.8246 (mt0) REVERT: H 362 MET cc_start: 0.8762 (mtp) cc_final: 0.8293 (mtp) REVERT: I 48 GLN cc_start: 0.8306 (OUTLIER) cc_final: 0.8003 (mt0) REVERT: I 123 LYS cc_start: 0.8262 (OUTLIER) cc_final: 0.7821 (tptm) REVERT: J 48 GLN cc_start: 0.8545 (OUTLIER) cc_final: 0.8273 (mt0) REVERT: J 80 MET cc_start: 0.8991 (ptt) cc_final: 0.8730 (ptt) REVERT: J 364 MET cc_start: 0.8692 (ptp) cc_final: 0.8364 (ptm) REVERT: K 48 GLN cc_start: 0.8298 (OUTLIER) cc_final: 0.8012 (mt0) REVERT: K 123 LYS cc_start: 0.8250 (OUTLIER) cc_final: 0.7819 (tptm) REVERT: L 48 GLN cc_start: 0.8550 (OUTLIER) cc_final: 0.8344 (mt0) REVERT: L 80 MET cc_start: 0.9076 (ptt) cc_final: 0.8682 (ptt) REVERT: L 364 MET cc_start: 0.8672 (ptp) cc_final: 0.8404 (ptm) REVERT: M 199 ILE cc_start: 0.8975 (OUTLIER) cc_final: 0.8650 (mt) REVERT: M 233 ASP cc_start: 0.8063 (t0) cc_final: 0.7794 (t70) REVERT: N 48 GLN cc_start: 0.8492 (OUTLIER) cc_final: 0.8258 (mt0) REVERT: N 362 MET cc_start: 0.8739 (mtp) cc_final: 0.8248 (mtp) REVERT: O 199 ILE cc_start: 0.8978 (OUTLIER) cc_final: 0.8652 (mt) REVERT: P 48 GLN cc_start: 0.8490 (OUTLIER) cc_final: 0.8246 (mt0) REVERT: P 362 MET cc_start: 0.8634 (mtp) cc_final: 0.8053 (mtp) REVERT: Q 48 GLN cc_start: 0.8299 (OUTLIER) cc_final: 0.8001 (mt0) REVERT: Q 123 LYS cc_start: 0.8268 (OUTLIER) cc_final: 0.7832 (tptm) REVERT: R 48 GLN cc_start: 0.8529 (OUTLIER) cc_final: 0.8289 (mt0) REVERT: R 51 ASP cc_start: 0.8295 (t70) cc_final: 0.8080 (t70) REVERT: R 80 MET cc_start: 0.9077 (ptt) cc_final: 0.8680 (ptt) REVERT: R 364 MET cc_start: 0.8678 (ptp) cc_final: 0.8373 (ptm) REVERT: S 48 GLN cc_start: 0.8557 (OUTLIER) cc_final: 0.8284 (mt0) REVERT: S 51 ASP cc_start: 0.8309 (t70) cc_final: 0.8100 (t70) REVERT: S 80 MET cc_start: 0.8985 (ptt) cc_final: 0.8722 (ptt) REVERT: S 364 MET cc_start: 0.8685 (ptp) cc_final: 0.8366 (ptm) REVERT: T 48 GLN cc_start: 0.8312 (OUTLIER) cc_final: 0.8016 (mt0) REVERT: T 123 LYS cc_start: 0.8235 (OUTLIER) cc_final: 0.7813 (tptm) REVERT: U 48 GLN cc_start: 0.8539 (OUTLIER) cc_final: 0.8279 (mt0) REVERT: U 80 MET cc_start: 0.9077 (ptt) cc_final: 0.8688 (ptt) REVERT: U 364 MET cc_start: 0.8678 (ptp) cc_final: 0.8414 (ptm) REVERT: V 48 GLN cc_start: 0.8295 (OUTLIER) cc_final: 0.7990 (mt0) REVERT: V 123 LYS cc_start: 0.8256 (OUTLIER) cc_final: 0.7822 (tptm) REVERT: W 48 GLN cc_start: 0.8497 (OUTLIER) cc_final: 0.8258 (mt0) REVERT: W 362 MET cc_start: 0.8737 (mtp) cc_final: 0.8130 (mtp) REVERT: X 199 ILE cc_start: 0.8976 (OUTLIER) cc_final: 0.8645 (mt) REVERT: Y 48 GLN cc_start: 0.8483 (OUTLIER) cc_final: 0.8271 (mt0) REVERT: Y 362 MET cc_start: 0.8761 (mtp) cc_final: 0.8171 (mtp) REVERT: Z 199 ILE cc_start: 0.8977 (OUTLIER) cc_final: 0.8639 (mt) REVERT: 1 207 LYS cc_start: 0.8512 (OUTLIER) cc_final: 0.8248 (mtpp) REVERT: 1 243 ASN cc_start: 0.7985 (m110) cc_final: 0.7472 (m110) REVERT: 2 207 LYS cc_start: 0.8477 (OUTLIER) cc_final: 0.8229 (mtpp) REVERT: 3 207 LYS cc_start: 0.8477 (OUTLIER) cc_final: 0.8229 (mtpp) REVERT: 4 207 LYS cc_start: 0.8485 (OUTLIER) cc_final: 0.8245 (mtpp) REVERT: 4 243 ASN cc_start: 0.7988 (m110) cc_final: 0.7477 (m110) REVERT: 5 207 LYS cc_start: 0.8507 (OUTLIER) cc_final: 0.8234 (mtpp) REVERT: 6 207 LYS cc_start: 0.8510 (OUTLIER) cc_final: 0.8241 (mtpp) REVERT: a 48 GLN cc_start: 0.8297 (OUTLIER) cc_final: 0.7998 (mt0) REVERT: a 123 LYS cc_start: 0.8242 (OUTLIER) cc_final: 0.7813 (tptm) REVERT: b 199 ILE cc_start: 0.8961 (OUTLIER) cc_final: 0.8639 (mt) REVERT: c 48 GLN cc_start: 0.8514 (OUTLIER) cc_final: 0.8277 (mt0) REVERT: c 263 VAL cc_start: 0.8049 (OUTLIER) cc_final: 0.7699 (m) REVERT: c 362 MET cc_start: 0.8761 (mtp) cc_final: 0.8313 (mtp) REVERT: d 48 GLN cc_start: 0.8470 (OUTLIER) cc_final: 0.8246 (mt0) REVERT: d 263 VAL cc_start: 0.8048 (OUTLIER) cc_final: 0.7661 (m) REVERT: d 362 MET cc_start: 0.8768 (mtp) cc_final: 0.8310 (mtp) REVERT: e 48 GLN cc_start: 0.8469 (OUTLIER) cc_final: 0.8239 (mt0) REVERT: e 362 MET cc_start: 0.8651 (mtp) cc_final: 0.8077 (mtp) REVERT: f 199 ILE cc_start: 0.8949 (OUTLIER) cc_final: 0.8615 (mt) REVERT: g 48 GLN cc_start: 0.8302 (OUTLIER) cc_final: 0.8015 (mt0) REVERT: g 123 LYS cc_start: 0.8239 (OUTLIER) cc_final: 0.7815 (tptm) REVERT: h 207 LYS cc_start: 0.8498 (OUTLIER) cc_final: 0.8234 (mtpp) REVERT: i 199 ILE cc_start: 0.8959 (OUTLIER) cc_final: 0.8627 (mt) REVERT: i 233 ASP cc_start: 0.8148 (t0) cc_final: 0.7893 (t70) REVERT: j 48 GLN cc_start: 0.8306 (OUTLIER) cc_final: 0.7994 (mt0) REVERT: j 123 LYS cc_start: 0.8254 (OUTLIER) cc_final: 0.7816 (tptm) REVERT: k 48 GLN cc_start: 0.8548 (OUTLIER) cc_final: 0.8303 (mt0) REVERT: k 80 MET cc_start: 0.9074 (ptt) cc_final: 0.8686 (ptt) REVERT: k 286 LYS cc_start: 0.8507 (mtpt) cc_final: 0.8277 (mtmt) REVERT: k 364 MET cc_start: 0.8685 (ptp) cc_final: 0.8370 (ptm) REVERT: l 48 GLN cc_start: 0.8550 (OUTLIER) cc_final: 0.8273 (mt0) REVERT: l 80 MET cc_start: 0.8978 (ptt) cc_final: 0.8713 (ptt) REVERT: l 364 MET cc_start: 0.8684 (ptp) cc_final: 0.8366 (ptm) REVERT: m 48 GLN cc_start: 0.8548 (OUTLIER) cc_final: 0.8280 (mt0) REVERT: m 80 MET cc_start: 0.9070 (ptt) cc_final: 0.8696 (ptt) REVERT: m 364 MET cc_start: 0.8678 (ptp) cc_final: 0.8409 (ptm) REVERT: n 199 ILE cc_start: 0.8973 (OUTLIER) cc_final: 0.8644 (mt) REVERT: o 48 GLN cc_start: 0.8290 (OUTLIER) cc_final: 0.7991 (mt0) REVERT: o 123 LYS cc_start: 0.8259 (OUTLIER) cc_final: 0.7819 (tptm) REVERT: p 207 LYS cc_start: 0.8507 (OUTLIER) cc_final: 0.8238 (mtpp) REVERT: q 199 ILE cc_start: 0.8971 (OUTLIER) cc_final: 0.8639 (mt) REVERT: r 48 GLN cc_start: 0.8297 (OUTLIER) cc_final: 0.8010 (mt0) REVERT: r 123 LYS cc_start: 0.8253 (OUTLIER) cc_final: 0.7811 (tptm) REVERT: s 207 LYS cc_start: 0.8509 (OUTLIER) cc_final: 0.8240 (mtpp) REVERT: t 48 GLN cc_start: 0.8554 (OUTLIER) cc_final: 0.8299 (mt0) REVERT: t 80 MET cc_start: 0.9080 (ptt) cc_final: 0.8689 (ptt) REVERT: t 364 MET cc_start: 0.8691 (ptp) cc_final: 0.8375 (ptm) REVERT: u 48 GLN cc_start: 0.8525 (OUTLIER) cc_final: 0.8277 (mt0) REVERT: u 80 MET cc_start: 0.9077 (ptt) cc_final: 0.8681 (ptt) REVERT: u 364 MET cc_start: 0.8694 (ptp) cc_final: 0.8382 (ptm) REVERT: v 48 GLN cc_start: 0.8552 (OUTLIER) cc_final: 0.8276 (mt0) REVERT: v 80 MET cc_start: 0.8988 (ptt) cc_final: 0.8735 (ptt) REVERT: v 364 MET cc_start: 0.8690 (ptp) cc_final: 0.8373 (ptm) REVERT: w 207 LYS cc_start: 0.8511 (OUTLIER) cc_final: 0.8248 (mtpp) REVERT: w 243 ASN cc_start: 0.7996 (m110) cc_final: 0.7425 (m110) REVERT: x 48 GLN cc_start: 0.8289 (OUTLIER) cc_final: 0.7992 (mt0) REVERT: x 123 LYS cc_start: 0.8230 (OUTLIER) cc_final: 0.7807 (tptm) REVERT: y 48 GLN cc_start: 0.8493 (OUTLIER) cc_final: 0.8249 (mt0) REVERT: y 362 MET cc_start: 0.8749 (mtp) cc_final: 0.8159 (mtp) REVERT: z 48 GLN cc_start: 0.8498 (OUTLIER) cc_final: 0.8262 (mt0) REVERT: z 362 MET cc_start: 0.8745 (mtp) cc_final: 0.8256 (mtp) REVERT: 7 48 GLN cc_start: 0.8483 (OUTLIER) cc_final: 0.8266 (mt0) REVERT: 7 362 MET cc_start: 0.8737 (mtp) cc_final: 0.8115 (mtp) REVERT: 8 199 ILE cc_start: 0.8974 (OUTLIER) cc_final: 0.8650 (mt) outliers start: 720 outliers final: 369 residues processed: 3036 average time/residue: 2.0776 time to fit residues: 9271.6034 Evaluate side-chains 2789 residues out of total 16980 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 444 poor density : 2345 time to evaluate : 13.081 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 92 CYS Chi-restraints excluded: chain A residue 124 VAL Chi-restraints excluded: chain A residue 170 VAL Chi-restraints excluded: chain A residue 207 LYS Chi-restraints excluded: chain A residue 239 VAL Chi-restraints excluded: chain B residue 48 GLN Chi-restraints excluded: chain B residue 92 CYS Chi-restraints excluded: chain B residue 101 LEU Chi-restraints excluded: chain B residue 124 VAL Chi-restraints excluded: chain B residue 148 THR Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 239 VAL Chi-restraints excluded: chain B residue 263 VAL Chi-restraints excluded: chain C residue 48 GLN Chi-restraints excluded: chain C residue 68 ASN Chi-restraints excluded: chain C residue 123 LYS Chi-restraints excluded: chain C residue 124 VAL Chi-restraints excluded: chain C residue 148 THR Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 180 VAL Chi-restraints excluded: chain C residue 239 VAL Chi-restraints excluded: chain D residue 48 GLN Chi-restraints excluded: chain D residue 68 ASN Chi-restraints excluded: chain D residue 80 MET Chi-restraints excluded: chain D residue 92 CYS Chi-restraints excluded: chain D residue 124 VAL Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 239 VAL Chi-restraints excluded: chain D residue 263 VAL Chi-restraints excluded: chain E residue 80 MET Chi-restraints excluded: chain E residue 124 VAL Chi-restraints excluded: chain E residue 148 THR Chi-restraints excluded: chain E residue 168 SER Chi-restraints excluded: chain E residue 199 ILE Chi-restraints excluded: chain E residue 239 VAL Chi-restraints excluded: chain F residue 92 CYS Chi-restraints excluded: chain F residue 124 VAL Chi-restraints excluded: chain F residue 149 THR Chi-restraints excluded: chain F residue 170 VAL Chi-restraints excluded: chain F residue 207 LYS Chi-restraints excluded: chain F residue 239 VAL Chi-restraints excluded: chain G residue 80 MET Chi-restraints excluded: chain G residue 124 VAL Chi-restraints excluded: chain G residue 148 THR Chi-restraints excluded: chain G residue 168 SER Chi-restraints excluded: chain G residue 199 ILE Chi-restraints excluded: chain G residue 239 VAL Chi-restraints excluded: chain H residue 48 GLN Chi-restraints excluded: chain H residue 68 ASN Chi-restraints excluded: chain H residue 80 MET Chi-restraints excluded: chain H residue 92 CYS Chi-restraints excluded: chain H residue 124 VAL Chi-restraints excluded: chain H residue 149 THR Chi-restraints excluded: chain H residue 239 VAL Chi-restraints excluded: chain I residue 48 GLN Chi-restraints excluded: chain I residue 68 ASN Chi-restraints excluded: chain I residue 123 LYS Chi-restraints excluded: chain I residue 124 VAL Chi-restraints excluded: chain I residue 148 THR Chi-restraints excluded: chain I residue 149 THR Chi-restraints excluded: chain I residue 180 VAL Chi-restraints excluded: chain I residue 239 VAL Chi-restraints excluded: chain J residue 48 GLN Chi-restraints excluded: chain J residue 92 CYS Chi-restraints excluded: chain J residue 101 LEU Chi-restraints excluded: chain J residue 124 VAL Chi-restraints excluded: chain J residue 148 THR Chi-restraints excluded: chain J residue 149 THR Chi-restraints excluded: chain J residue 239 VAL Chi-restraints excluded: chain J residue 263 VAL Chi-restraints excluded: chain K residue 48 GLN Chi-restraints excluded: chain K residue 51 ASP Chi-restraints excluded: chain K residue 68 ASN Chi-restraints excluded: chain K residue 123 LYS Chi-restraints excluded: chain K residue 124 VAL Chi-restraints excluded: chain K residue 148 THR Chi-restraints excluded: chain K residue 149 THR Chi-restraints excluded: chain K residue 180 VAL Chi-restraints excluded: chain K residue 239 VAL Chi-restraints excluded: chain L residue 48 GLN Chi-restraints excluded: chain L residue 101 LEU Chi-restraints excluded: chain L residue 124 VAL Chi-restraints excluded: chain L residue 148 THR Chi-restraints excluded: chain L residue 149 THR Chi-restraints excluded: chain L residue 239 VAL Chi-restraints excluded: chain L residue 263 VAL Chi-restraints excluded: chain M residue 80 MET Chi-restraints excluded: chain M residue 124 VAL Chi-restraints excluded: chain M residue 148 THR Chi-restraints excluded: chain M residue 168 SER Chi-restraints excluded: chain M residue 199 ILE Chi-restraints excluded: chain M residue 239 VAL Chi-restraints excluded: chain N residue 48 GLN Chi-restraints excluded: chain N residue 68 ASN Chi-restraints excluded: chain N residue 80 MET Chi-restraints excluded: chain N residue 92 CYS Chi-restraints excluded: chain N residue 124 VAL Chi-restraints excluded: chain N residue 149 THR Chi-restraints excluded: chain N residue 239 VAL Chi-restraints excluded: chain O residue 80 MET Chi-restraints excluded: chain O residue 124 VAL Chi-restraints excluded: chain O residue 148 THR Chi-restraints excluded: chain O residue 149 THR Chi-restraints excluded: chain O residue 168 SER Chi-restraints excluded: chain O residue 199 ILE Chi-restraints excluded: chain O residue 239 VAL Chi-restraints excluded: chain P residue 48 GLN Chi-restraints excluded: chain P residue 68 ASN Chi-restraints excluded: chain P residue 80 MET Chi-restraints excluded: chain P residue 92 CYS Chi-restraints excluded: chain P residue 124 VAL Chi-restraints excluded: chain P residue 149 THR Chi-restraints excluded: chain P residue 239 VAL Chi-restraints excluded: chain P residue 361 LYS Chi-restraints excluded: chain Q residue 48 GLN Chi-restraints excluded: chain Q residue 68 ASN Chi-restraints excluded: chain Q residue 123 LYS Chi-restraints excluded: chain Q residue 124 VAL Chi-restraints excluded: chain Q residue 148 THR Chi-restraints excluded: chain Q residue 149 THR Chi-restraints excluded: chain Q residue 180 VAL Chi-restraints excluded: chain Q residue 239 VAL Chi-restraints excluded: chain Q residue 274 SER Chi-restraints excluded: chain R residue 48 GLN Chi-restraints excluded: chain R residue 92 CYS Chi-restraints excluded: chain R residue 101 LEU Chi-restraints excluded: chain R residue 124 VAL Chi-restraints excluded: chain R residue 148 THR Chi-restraints excluded: chain R residue 149 THR Chi-restraints excluded: chain R residue 239 VAL Chi-restraints excluded: chain R residue 263 VAL Chi-restraints excluded: chain S residue 48 GLN Chi-restraints excluded: chain S residue 92 CYS Chi-restraints excluded: chain S residue 101 LEU Chi-restraints excluded: chain S residue 124 VAL Chi-restraints excluded: chain S residue 148 THR Chi-restraints excluded: chain S residue 149 THR Chi-restraints excluded: chain S residue 239 VAL Chi-restraints excluded: chain S residue 263 VAL Chi-restraints excluded: chain T residue 48 GLN Chi-restraints excluded: chain T residue 68 ASN Chi-restraints excluded: chain T residue 123 LYS Chi-restraints excluded: chain T residue 124 VAL Chi-restraints excluded: chain T residue 148 THR Chi-restraints excluded: chain T residue 149 THR Chi-restraints excluded: chain T residue 180 VAL Chi-restraints excluded: chain T residue 239 VAL Chi-restraints excluded: chain T residue 274 SER Chi-restraints excluded: chain U residue 48 GLN Chi-restraints excluded: chain U residue 101 LEU Chi-restraints excluded: chain U residue 124 VAL Chi-restraints excluded: chain U residue 148 THR Chi-restraints excluded: chain U residue 149 THR Chi-restraints excluded: chain U residue 239 VAL Chi-restraints excluded: chain U residue 263 VAL Chi-restraints excluded: chain V residue 48 GLN Chi-restraints excluded: chain V residue 68 ASN Chi-restraints excluded: chain V residue 123 LYS Chi-restraints excluded: chain V residue 124 VAL Chi-restraints excluded: chain V residue 148 THR Chi-restraints excluded: chain V residue 149 THR Chi-restraints excluded: chain V residue 180 VAL Chi-restraints excluded: chain V residue 239 VAL Chi-restraints excluded: chain V residue 274 SER Chi-restraints excluded: chain W residue 48 GLN Chi-restraints excluded: chain W residue 68 ASN Chi-restraints excluded: chain W residue 80 MET Chi-restraints excluded: chain W residue 92 CYS Chi-restraints excluded: chain W residue 124 VAL Chi-restraints excluded: chain W residue 149 THR Chi-restraints excluded: chain W residue 239 VAL Chi-restraints excluded: chain X residue 80 MET Chi-restraints excluded: chain X residue 124 VAL Chi-restraints excluded: chain X residue 148 THR Chi-restraints excluded: chain X residue 149 THR Chi-restraints excluded: chain X residue 168 SER Chi-restraints excluded: chain X residue 199 ILE Chi-restraints excluded: chain X residue 239 VAL Chi-restraints excluded: chain Y residue 48 GLN Chi-restraints excluded: chain Y residue 68 ASN Chi-restraints excluded: chain Y residue 80 MET Chi-restraints excluded: chain Y residue 92 CYS Chi-restraints excluded: chain Y residue 124 VAL Chi-restraints excluded: chain Y residue 149 THR Chi-restraints excluded: chain Y residue 221 SER Chi-restraints excluded: chain Y residue 239 VAL Chi-restraints excluded: chain Y residue 263 VAL Chi-restraints excluded: chain Z residue 80 MET Chi-restraints excluded: chain Z residue 124 VAL Chi-restraints excluded: chain Z residue 135 SER Chi-restraints excluded: chain Z residue 148 THR Chi-restraints excluded: chain Z residue 149 THR Chi-restraints excluded: chain Z residue 168 SER Chi-restraints excluded: chain Z residue 199 ILE Chi-restraints excluded: chain Z residue 239 VAL Chi-restraints excluded: chain 1 residue 92 CYS Chi-restraints excluded: chain 1 residue 101 LEU Chi-restraints excluded: chain 1 residue 124 VAL Chi-restraints excluded: chain 1 residue 170 VAL Chi-restraints excluded: chain 1 residue 207 LYS Chi-restraints excluded: chain 1 residue 239 VAL Chi-restraints excluded: chain 2 residue 92 CYS Chi-restraints excluded: chain 2 residue 124 VAL Chi-restraints excluded: chain 2 residue 149 THR Chi-restraints excluded: chain 2 residue 170 VAL Chi-restraints excluded: chain 2 residue 207 LYS Chi-restraints excluded: chain 2 residue 239 VAL Chi-restraints excluded: chain 3 residue 92 CYS Chi-restraints excluded: chain 3 residue 124 VAL Chi-restraints excluded: chain 3 residue 149 THR Chi-restraints excluded: chain 3 residue 170 VAL Chi-restraints excluded: chain 3 residue 207 LYS Chi-restraints excluded: chain 3 residue 239 VAL Chi-restraints excluded: chain 4 residue 92 CYS Chi-restraints excluded: chain 4 residue 124 VAL Chi-restraints excluded: chain 4 residue 149 THR Chi-restraints excluded: chain 4 residue 170 VAL Chi-restraints excluded: chain 4 residue 207 LYS Chi-restraints excluded: chain 4 residue 239 VAL Chi-restraints excluded: chain 5 residue 92 CYS Chi-restraints excluded: chain 5 residue 124 VAL Chi-restraints excluded: chain 5 residue 170 VAL Chi-restraints excluded: chain 5 residue 207 LYS Chi-restraints excluded: chain 5 residue 239 VAL Chi-restraints excluded: chain 6 residue 92 CYS Chi-restraints excluded: chain 6 residue 101 LEU Chi-restraints excluded: chain 6 residue 124 VAL Chi-restraints excluded: chain 6 residue 149 THR Chi-restraints excluded: chain 6 residue 170 VAL Chi-restraints excluded: chain 6 residue 207 LYS Chi-restraints excluded: chain 6 residue 239 VAL Chi-restraints excluded: chain a residue 48 GLN Chi-restraints excluded: chain a residue 68 ASN Chi-restraints excluded: chain a residue 123 LYS Chi-restraints excluded: chain a residue 124 VAL Chi-restraints excluded: chain a residue 148 THR Chi-restraints excluded: chain a residue 149 THR Chi-restraints excluded: chain a residue 174 THR Chi-restraints excluded: chain a residue 180 VAL Chi-restraints excluded: chain a residue 239 VAL Chi-restraints excluded: chain a residue 274 SER Chi-restraints excluded: chain b residue 80 MET Chi-restraints excluded: chain b residue 124 VAL Chi-restraints excluded: chain b residue 148 THR Chi-restraints excluded: chain b residue 149 THR Chi-restraints excluded: chain b residue 168 SER Chi-restraints excluded: chain b residue 199 ILE Chi-restraints excluded: chain b residue 239 VAL Chi-restraints excluded: chain c residue 48 GLN Chi-restraints excluded: chain c residue 68 ASN Chi-restraints excluded: chain c residue 92 CYS Chi-restraints excluded: chain c residue 124 VAL Chi-restraints excluded: chain c residue 149 THR Chi-restraints excluded: chain c residue 221 SER Chi-restraints excluded: chain c residue 239 VAL Chi-restraints excluded: chain c residue 263 VAL Chi-restraints excluded: chain d residue 48 GLN Chi-restraints excluded: chain d residue 68 ASN Chi-restraints excluded: chain d residue 80 MET Chi-restraints excluded: chain d residue 92 CYS Chi-restraints excluded: chain d residue 124 VAL Chi-restraints excluded: chain d residue 149 THR Chi-restraints excluded: chain d residue 239 VAL Chi-restraints excluded: chain d residue 263 VAL Chi-restraints excluded: chain e residue 48 GLN Chi-restraints excluded: chain e residue 68 ASN Chi-restraints excluded: chain e residue 80 MET Chi-restraints excluded: chain e residue 92 CYS Chi-restraints excluded: chain e residue 124 VAL Chi-restraints excluded: chain e residue 149 THR Chi-restraints excluded: chain e residue 239 VAL Chi-restraints excluded: chain e residue 361 LYS Chi-restraints excluded: chain f residue 80 MET Chi-restraints excluded: chain f residue 124 VAL Chi-restraints excluded: chain f residue 148 THR Chi-restraints excluded: chain f residue 149 THR Chi-restraints excluded: chain f residue 168 SER Chi-restraints excluded: chain f residue 199 ILE Chi-restraints excluded: chain f residue 239 VAL Chi-restraints excluded: chain g residue 48 GLN Chi-restraints excluded: chain g residue 51 ASP Chi-restraints excluded: chain g residue 68 ASN Chi-restraints excluded: chain g residue 123 LYS Chi-restraints excluded: chain g residue 124 VAL Chi-restraints excluded: chain g residue 148 THR Chi-restraints excluded: chain g residue 149 THR Chi-restraints excluded: chain g residue 180 VAL Chi-restraints excluded: chain g residue 239 VAL Chi-restraints excluded: chain g residue 274 SER Chi-restraints excluded: chain h residue 92 CYS Chi-restraints excluded: chain h residue 124 VAL Chi-restraints excluded: chain h residue 170 VAL Chi-restraints excluded: chain h residue 207 LYS Chi-restraints excluded: chain h residue 239 VAL Chi-restraints excluded: chain i residue 80 MET Chi-restraints excluded: chain i residue 124 VAL Chi-restraints excluded: chain i residue 148 THR Chi-restraints excluded: chain i residue 168 SER Chi-restraints excluded: chain i residue 199 ILE Chi-restraints excluded: chain i residue 239 VAL Chi-restraints excluded: chain j residue 48 GLN Chi-restraints excluded: chain j residue 68 ASN Chi-restraints excluded: chain j residue 123 LYS Chi-restraints excluded: chain j residue 124 VAL Chi-restraints excluded: chain j residue 148 THR Chi-restraints excluded: chain j residue 149 THR Chi-restraints excluded: chain j residue 180 VAL Chi-restraints excluded: chain j residue 239 VAL Chi-restraints excluded: chain j residue 274 SER Chi-restraints excluded: chain k residue 48 GLN Chi-restraints excluded: chain k residue 92 CYS Chi-restraints excluded: chain k residue 101 LEU Chi-restraints excluded: chain k residue 124 VAL Chi-restraints excluded: chain k residue 148 THR Chi-restraints excluded: chain k residue 149 THR Chi-restraints excluded: chain k residue 239 VAL Chi-restraints excluded: chain k residue 263 VAL Chi-restraints excluded: chain l residue 48 GLN Chi-restraints excluded: chain l residue 101 LEU Chi-restraints excluded: chain l residue 124 VAL Chi-restraints excluded: chain l residue 148 THR Chi-restraints excluded: chain l residue 149 THR Chi-restraints excluded: chain l residue 239 VAL Chi-restraints excluded: chain l residue 263 VAL Chi-restraints excluded: chain m residue 48 GLN Chi-restraints excluded: chain m residue 92 CYS Chi-restraints excluded: chain m residue 101 LEU Chi-restraints excluded: chain m residue 124 VAL Chi-restraints excluded: chain m residue 148 THR Chi-restraints excluded: chain m residue 149 THR Chi-restraints excluded: chain m residue 239 VAL Chi-restraints excluded: chain m residue 263 VAL Chi-restraints excluded: chain n residue 80 MET Chi-restraints excluded: chain n residue 124 VAL Chi-restraints excluded: chain n residue 148 THR Chi-restraints excluded: chain n residue 149 THR Chi-restraints excluded: chain n residue 168 SER Chi-restraints excluded: chain n residue 199 ILE Chi-restraints excluded: chain n residue 239 VAL Chi-restraints excluded: chain o residue 48 GLN Chi-restraints excluded: chain o residue 68 ASN Chi-restraints excluded: chain o residue 123 LYS Chi-restraints excluded: chain o residue 124 VAL Chi-restraints excluded: chain o residue 148 THR Chi-restraints excluded: chain o residue 149 THR Chi-restraints excluded: chain o residue 180 VAL Chi-restraints excluded: chain o residue 239 VAL Chi-restraints excluded: chain p residue 92 CYS Chi-restraints excluded: chain p residue 124 VAL Chi-restraints excluded: chain p residue 149 THR Chi-restraints excluded: chain p residue 170 VAL Chi-restraints excluded: chain p residue 207 LYS Chi-restraints excluded: chain p residue 239 VAL Chi-restraints excluded: chain q residue 80 MET Chi-restraints excluded: chain q residue 101 LEU Chi-restraints excluded: chain q residue 124 VAL Chi-restraints excluded: chain q residue 148 THR Chi-restraints excluded: chain q residue 149 THR Chi-restraints excluded: chain q residue 168 SER Chi-restraints excluded: chain q residue 199 ILE Chi-restraints excluded: chain q residue 239 VAL Chi-restraints excluded: chain r residue 48 GLN Chi-restraints excluded: chain r residue 68 ASN Chi-restraints excluded: chain r residue 123 LYS Chi-restraints excluded: chain r residue 124 VAL Chi-restraints excluded: chain r residue 148 THR Chi-restraints excluded: chain r residue 149 THR Chi-restraints excluded: chain r residue 180 VAL Chi-restraints excluded: chain r residue 239 VAL Chi-restraints excluded: chain r residue 274 SER Chi-restraints excluded: chain s residue 92 CYS Chi-restraints excluded: chain s residue 124 VAL Chi-restraints excluded: chain s residue 170 VAL Chi-restraints excluded: chain s residue 207 LYS Chi-restraints excluded: chain s residue 239 VAL Chi-restraints excluded: chain t residue 48 GLN Chi-restraints excluded: chain t residue 101 LEU Chi-restraints excluded: chain t residue 124 VAL Chi-restraints excluded: chain t residue 148 THR Chi-restraints excluded: chain t residue 149 THR Chi-restraints excluded: chain t residue 239 VAL Chi-restraints excluded: chain t residue 263 VAL Chi-restraints excluded: chain u residue 48 GLN Chi-restraints excluded: chain u residue 92 CYS Chi-restraints excluded: chain u residue 101 LEU Chi-restraints excluded: chain u residue 124 VAL Chi-restraints excluded: chain u residue 148 THR Chi-restraints excluded: chain u residue 149 THR Chi-restraints excluded: chain u residue 239 VAL Chi-restraints excluded: chain u residue 263 VAL Chi-restraints excluded: chain v residue 48 GLN Chi-restraints excluded: chain v residue 92 CYS Chi-restraints excluded: chain v residue 101 LEU Chi-restraints excluded: chain v residue 124 VAL Chi-restraints excluded: chain v residue 148 THR Chi-restraints excluded: chain v residue 149 THR Chi-restraints excluded: chain v residue 239 VAL Chi-restraints excluded: chain v residue 263 VAL Chi-restraints excluded: chain w residue 92 CYS Chi-restraints excluded: chain w residue 124 VAL Chi-restraints excluded: chain w residue 170 VAL Chi-restraints excluded: chain w residue 207 LYS Chi-restraints excluded: chain w residue 239 VAL Chi-restraints excluded: chain x residue 48 GLN Chi-restraints excluded: chain x residue 68 ASN Chi-restraints excluded: chain x residue 123 LYS Chi-restraints excluded: chain x residue 124 VAL Chi-restraints excluded: chain x residue 148 THR Chi-restraints excluded: chain x residue 149 THR Chi-restraints excluded: chain x residue 180 VAL Chi-restraints excluded: chain x residue 239 VAL Chi-restraints excluded: chain x residue 274 SER Chi-restraints excluded: chain y residue 48 GLN Chi-restraints excluded: chain y residue 68 ASN Chi-restraints excluded: chain y residue 80 MET Chi-restraints excluded: chain y residue 92 CYS Chi-restraints excluded: chain y residue 124 VAL Chi-restraints excluded: chain y residue 149 THR Chi-restraints excluded: chain y residue 239 VAL Chi-restraints excluded: chain y residue 263 VAL Chi-restraints excluded: chain z residue 48 GLN Chi-restraints excluded: chain z residue 68 ASN Chi-restraints excluded: chain z residue 80 MET Chi-restraints excluded: chain z residue 92 CYS Chi-restraints excluded: chain z residue 124 VAL Chi-restraints excluded: chain z residue 149 THR Chi-restraints excluded: chain z residue 239 VAL Chi-restraints excluded: chain 7 residue 48 GLN Chi-restraints excluded: chain 7 residue 68 ASN Chi-restraints excluded: chain 7 residue 80 MET Chi-restraints excluded: chain 7 residue 92 CYS Chi-restraints excluded: chain 7 residue 124 VAL Chi-restraints excluded: chain 7 residue 149 THR Chi-restraints excluded: chain 7 residue 221 SER Chi-restraints excluded: chain 7 residue 239 VAL Chi-restraints excluded: chain 7 residue 263 VAL Chi-restraints excluded: chain 8 residue 80 MET Chi-restraints excluded: chain 8 residue 124 VAL Chi-restraints excluded: chain 8 residue 135 SER Chi-restraints excluded: chain 8 residue 148 THR Chi-restraints excluded: chain 8 residue 149 THR Chi-restraints excluded: chain 8 residue 168 SER Chi-restraints excluded: chain 8 residue 199 ILE Chi-restraints excluded: chain 8 residue 239 VAL Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1860 random chunks: chunk 1630 optimal weight: 7.9990 chunk 1717 optimal weight: 5.9990 chunk 1566 optimal weight: 5.9990 chunk 1670 optimal weight: 7.9990 chunk 1716 optimal weight: 0.9990 chunk 1005 optimal weight: 10.0000 chunk 727 optimal weight: 0.0020 chunk 1311 optimal weight: 4.9990 chunk 512 optimal weight: 4.9990 chunk 1509 optimal weight: 9.9990 chunk 1580 optimal weight: 0.7980 overall best weight: 2.3594 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 152 ASN ** A 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 317 ASN A 328 GLN B 152 ASN ** B 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 241 GLN B 317 ASN C 152 ASN C 197 ASN ** C 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 152 ASN D 213 GLN D 328 GLN E 152 ASN E 197 ASN E 213 GLN ** E 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 152 ASN ** F 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 317 ASN F 328 GLN G 152 ASN G 197 ASN G 213 GLN ** G 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 152 ASN ** H 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 213 GLN H 236 ASN H 328 GLN I 152 ASN I 197 ASN ** I 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 152 ASN ** J 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 317 ASN K 152 ASN ** K 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 130 ASN L 152 ASN ** L 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 317 ASN M 152 ASN M 197 ASN M 213 GLN ** M 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 152 ASN ** N 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** N 213 GLN N 328 GLN O 152 ASN O 197 ASN O 213 GLN ** O 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 152 ASN P 213 GLN P 236 ASN P 328 GLN Q 152 ASN ** Q 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Q 197 ASN ** Q 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 152 ASN ** R 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** R 317 ASN S 152 ASN ** S 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** S 317 ASN T 152 ASN ** T 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 236 ASN U 130 ASN U 152 ASN ** U 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** U 317 ASN V 152 ASN V 197 ASN ** V 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 152 ASN ** W 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** W 213 GLN W 236 ASN W 328 GLN X 152 ASN ** X 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 152 ASN ** Y 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Y 213 GLN Y 236 ASN Y 328 GLN Z 152 ASN Z 197 ASN Z 213 GLN ** Z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 152 ASN ** 1 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 317 ASN 1 328 GLN 2 152 ASN ** 2 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 317 ASN 2 328 GLN 3 152 ASN ** 3 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 317 ASN 3 328 GLN 4 152 ASN ** 4 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 317 ASN 4 328 GLN 5 152 ASN ** 5 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 317 ASN 5 328 GLN 6 152 ASN ** 6 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 317 ASN 6 328 GLN a 152 ASN a 197 ASN ** a 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 152 ASN b 197 ASN b 213 GLN ** b 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 152 ASN ** c 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** c 213 GLN c 236 ASN c 328 GLN d 152 ASN ** d 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** d 213 GLN d 236 ASN d 317 ASN d 328 GLN e 152 ASN e 213 GLN e 236 ASN ** e 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 328 GLN f 152 ASN f 197 ASN f 213 GLN ** f 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 152 ASN ** g 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 152 ASN ** h 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 317 ASN h 328 GLN i 152 ASN i 197 ASN i 213 GLN ** i 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 152 ASN j 197 ASN ** j 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 152 ASN ** k 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** k 317 ASN l 152 ASN ** l 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** l 241 GLN l 317 ASN m 130 ASN m 152 ASN ** m 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** m 317 ASN n 152 ASN n 197 ASN n 213 GLN ** n 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 152 ASN ** o 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** o 197 ASN ** o 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 152 ASN ** p 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 317 ASN p 328 GLN q 152 ASN q 197 ASN q 213 GLN ** q 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 152 ASN ** r 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 152 ASN ** s 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 317 ASN s 328 GLN t 130 ASN t 152 ASN ** t 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** t 317 ASN u 152 ASN ** u 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** u 236 ASN u 317 ASN v 152 ASN ** v 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** v 236 ASN v 317 ASN w 152 ASN ** w 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 317 ASN w 328 GLN x 152 ASN x 197 ASN ** x 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 236 ASN y 152 ASN ** y 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** y 213 GLN y 236 ASN y 328 GLN z 152 ASN ** z 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** z 213 GLN z 328 GLN 7 152 ASN ** 7 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 236 ASN 7 328 GLN 8 152 ASN 8 197 ASN 8 213 GLN ** 8 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 169 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8516 moved from start: 0.2996 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.044 155760 Z= 0.350 Angle : 0.615 6.869 211920 Z= 0.332 Chirality : 0.050 0.172 23220 Planarity : 0.004 0.043 27240 Dihedral : 6.315 57.952 20640 Min Nonbonded Distance : 2.076 Molprobity Statistics. All-atom Clashscore : 12.66 Ramachandran Plot: Outliers : 0.05 % Allowed : 6.60 % Favored : 93.34 % Rotamer: Outliers : 4.19 % Allowed : 16.47 % Favored : 79.35 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.12 (0.06), residues: 18780 helix: -2.22 (0.14), residues: 1200 sheet: -0.44 (0.07), residues: 6180 loop : -0.70 (0.06), residues: 11400 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.013 0.001 TRP g 211 HIS 0.006 0.001 HIS P 159 PHE 0.025 0.003 PHE i 285 TYR 0.018 0.002 TYR R 110 ARG 0.010 0.001 ARG e 61 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 37560 Ramachandran restraints generated. 18780 Oldfield, 0 Emsley, 18780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 37560 Ramachandran restraints generated. 18780 Oldfield, 0 Emsley, 18780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3132 residues out of total 16980 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 711 poor density : 2421 time to evaluate : 13.398 Fit side-chains REVERT: B 364 MET cc_start: 0.8679 (ptp) cc_final: 0.8415 (ptm) REVERT: C 48 GLN cc_start: 0.8452 (OUTLIER) cc_final: 0.8041 (mt0) REVERT: C 123 LYS cc_start: 0.8353 (OUTLIER) cc_final: 0.7928 (tptm) REVERT: D 48 GLN cc_start: 0.8636 (OUTLIER) cc_final: 0.8334 (mt0) REVERT: D 187 ASP cc_start: 0.8381 (p0) cc_final: 0.8118 (p0) REVERT: D 362 MET cc_start: 0.8847 (mtp) cc_final: 0.8312 (mtp) REVERT: E 199 ILE cc_start: 0.9104 (OUTLIER) cc_final: 0.8817 (mt) REVERT: G 199 ILE cc_start: 0.9096 (OUTLIER) cc_final: 0.8805 (mt) REVERT: H 48 GLN cc_start: 0.8632 (OUTLIER) cc_final: 0.8328 (mt0) REVERT: H 187 ASP cc_start: 0.8390 (p0) cc_final: 0.8124 (p0) REVERT: I 48 GLN cc_start: 0.8448 (OUTLIER) cc_final: 0.8031 (mt0) REVERT: I 123 LYS cc_start: 0.8323 (OUTLIER) cc_final: 0.7901 (tptm) REVERT: J 80 MET cc_start: 0.9026 (ptt) cc_final: 0.8801 (ptt) REVERT: J 364 MET cc_start: 0.8688 (ptp) cc_final: 0.8412 (ptm) REVERT: K 48 GLN cc_start: 0.8438 (OUTLIER) cc_final: 0.8045 (mt0) REVERT: K 123 LYS cc_start: 0.8364 (OUTLIER) cc_final: 0.7931 (tptm) REVERT: L 364 MET cc_start: 0.8676 (ptp) cc_final: 0.8428 (ptm) REVERT: M 199 ILE cc_start: 0.9100 (OUTLIER) cc_final: 0.8824 (mt) REVERT: N 48 GLN cc_start: 0.8636 (OUTLIER) cc_final: 0.8330 (mt0) REVERT: N 187 ASP cc_start: 0.8389 (p0) cc_final: 0.8122 (p0) REVERT: O 123 LYS cc_start: 0.8420 (OUTLIER) cc_final: 0.8143 (tppt) REVERT: O 199 ILE cc_start: 0.9103 (OUTLIER) cc_final: 0.8826 (mt) REVERT: P 48 GLN cc_start: 0.8630 (OUTLIER) cc_final: 0.8329 (mt0) REVERT: P 187 ASP cc_start: 0.8383 (p0) cc_final: 0.8115 (p0) REVERT: P 362 MET cc_start: 0.8762 (mtp) cc_final: 0.8241 (mtp) REVERT: Q 48 GLN cc_start: 0.8430 (OUTLIER) cc_final: 0.8031 (mt0) REVERT: Q 123 LYS cc_start: 0.8357 (OUTLIER) cc_final: 0.7928 (tptm) REVERT: R 364 MET cc_start: 0.8678 (ptp) cc_final: 0.8417 (ptm) REVERT: S 80 MET cc_start: 0.9020 (ptt) cc_final: 0.8794 (ptt) REVERT: S 364 MET cc_start: 0.8686 (ptp) cc_final: 0.8417 (ptm) REVERT: T 48 GLN cc_start: 0.8455 (OUTLIER) cc_final: 0.8046 (mt0) REVERT: T 123 LYS cc_start: 0.8354 (OUTLIER) cc_final: 0.7925 (tptm) REVERT: T 236 ASN cc_start: 0.8244 (OUTLIER) cc_final: 0.8027 (p0) REVERT: U 364 MET cc_start: 0.8688 (ptp) cc_final: 0.8439 (ptm) REVERT: V 48 GLN cc_start: 0.8435 (OUTLIER) cc_final: 0.8040 (mt0) REVERT: V 123 LYS cc_start: 0.8321 (OUTLIER) cc_final: 0.7905 (tptm) REVERT: W 48 GLN cc_start: 0.8637 (OUTLIER) cc_final: 0.8331 (mt0) REVERT: W 187 ASP cc_start: 0.8386 (p0) cc_final: 0.8118 (p0) REVERT: X 199 ILE cc_start: 0.9090 (OUTLIER) cc_final: 0.8794 (mt) REVERT: Y 48 GLN cc_start: 0.8635 (OUTLIER) cc_final: 0.8321 (mt0) REVERT: Z 199 ILE cc_start: 0.9088 (OUTLIER) cc_final: 0.8800 (mt) REVERT: a 48 GLN cc_start: 0.8448 (OUTLIER) cc_final: 0.8022 (mt0) REVERT: a 123 LYS cc_start: 0.8305 (OUTLIER) cc_final: 0.7893 (tptm) REVERT: b 199 ILE cc_start: 0.9107 (OUTLIER) cc_final: 0.8830 (mt) REVERT: c 48 GLN cc_start: 0.8649 (OUTLIER) cc_final: 0.8330 (mt0) REVERT: d 48 GLN cc_start: 0.8617 (OUTLIER) cc_final: 0.8313 (mt0) REVERT: e 48 GLN cc_start: 0.8622 (OUTLIER) cc_final: 0.8302 (mt0) REVERT: e 362 MET cc_start: 0.8788 (mtp) cc_final: 0.8285 (mtp) REVERT: f 199 ILE cc_start: 0.9079 (OUTLIER) cc_final: 0.8786 (mt) REVERT: g 48 GLN cc_start: 0.8441 (OUTLIER) cc_final: 0.8014 (mt0) REVERT: g 123 LYS cc_start: 0.8347 (OUTLIER) cc_final: 0.7923 (tptm) REVERT: i 199 ILE cc_start: 0.9094 (OUTLIER) cc_final: 0.8803 (mt) REVERT: j 48 GLN cc_start: 0.8450 (OUTLIER) cc_final: 0.8037 (mt0) REVERT: j 123 LYS cc_start: 0.8319 (OUTLIER) cc_final: 0.7898 (tptm) REVERT: j 187 ASP cc_start: 0.8352 (p0) cc_final: 0.8145 (p0) REVERT: k 286 LYS cc_start: 0.8557 (mtpt) cc_final: 0.8321 (mtmt) REVERT: k 364 MET cc_start: 0.8679 (ptp) cc_final: 0.8413 (ptm) REVERT: l 80 MET cc_start: 0.9020 (ptt) cc_final: 0.8797 (ptt) REVERT: l 364 MET cc_start: 0.8680 (ptp) cc_final: 0.8411 (ptm) REVERT: m 364 MET cc_start: 0.8687 (ptp) cc_final: 0.8440 (ptm) REVERT: n 199 ILE cc_start: 0.9093 (OUTLIER) cc_final: 0.8814 (mt) REVERT: o 48 GLN cc_start: 0.8425 (OUTLIER) cc_final: 0.8020 (mt0) REVERT: o 123 LYS cc_start: 0.8345 (OUTLIER) cc_final: 0.7922 (tptm) REVERT: q 199 ILE cc_start: 0.9086 (OUTLIER) cc_final: 0.8798 (mt) REVERT: r 48 GLN cc_start: 0.8443 (OUTLIER) cc_final: 0.8018 (mt0) REVERT: r 123 LYS cc_start: 0.8369 (OUTLIER) cc_final: 0.7941 (tptm) REVERT: t 364 MET cc_start: 0.8688 (ptp) cc_final: 0.8425 (ptm) REVERT: u 51 ASP cc_start: 0.8318 (t70) cc_final: 0.8089 (t70) REVERT: u 364 MET cc_start: 0.8691 (ptp) cc_final: 0.8424 (ptm) REVERT: v 80 MET cc_start: 0.9024 (ptt) cc_final: 0.8802 (ptt) REVERT: v 364 MET cc_start: 0.8688 (ptp) cc_final: 0.8424 (ptm) REVERT: x 48 GLN cc_start: 0.8426 (OUTLIER) cc_final: 0.8026 (mt0) REVERT: x 123 LYS cc_start: 0.8340 (OUTLIER) cc_final: 0.7915 (tptm) REVERT: x 236 ASN cc_start: 0.8243 (OUTLIER) cc_final: 0.8023 (p0) REVERT: y 48 GLN cc_start: 0.8637 (OUTLIER) cc_final: 0.8339 (mt0) REVERT: y 187 ASP cc_start: 0.8385 (p0) cc_final: 0.8119 (p0) REVERT: z 48 GLN cc_start: 0.8641 (OUTLIER) cc_final: 0.8334 (mt0) REVERT: z 187 ASP cc_start: 0.8380 (p0) cc_final: 0.8122 (p0) REVERT: 7 48 GLN cc_start: 0.8632 (OUTLIER) cc_final: 0.8317 (mt0) REVERT: 8 199 ILE cc_start: 0.9100 (OUTLIER) cc_final: 0.8819 (mt) outliers start: 711 outliers final: 479 residues processed: 2922 average time/residue: 2.1551 time to fit residues: 9138.5528 Evaluate side-chains 2867 residues out of total 16980 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 530 poor density : 2337 time to evaluate : 13.043 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 80 MET Chi-restraints excluded: chain A residue 92 CYS Chi-restraints excluded: chain A residue 101 LEU Chi-restraints excluded: chain A residue 124 VAL Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 170 VAL Chi-restraints excluded: chain A residue 174 THR Chi-restraints excluded: chain A residue 207 LYS Chi-restraints excluded: chain A residue 239 VAL Chi-restraints excluded: chain A residue 263 VAL Chi-restraints excluded: chain B residue 48 GLN Chi-restraints excluded: chain B residue 92 CYS Chi-restraints excluded: chain B residue 101 LEU Chi-restraints excluded: chain B residue 124 VAL Chi-restraints excluded: chain B residue 148 THR Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 239 VAL Chi-restraints excluded: chain B residue 243 ASN Chi-restraints excluded: chain B residue 263 VAL Chi-restraints excluded: chain B residue 288 ASN Chi-restraints excluded: chain C residue 48 GLN Chi-restraints excluded: chain C residue 68 ASN Chi-restraints excluded: chain C residue 123 LYS Chi-restraints excluded: chain C residue 148 THR Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 174 THR Chi-restraints excluded: chain C residue 180 VAL Chi-restraints excluded: chain C residue 239 VAL Chi-restraints excluded: chain C residue 274 SER Chi-restraints excluded: chain D residue 48 GLN Chi-restraints excluded: chain D residue 68 ASN Chi-restraints excluded: chain D residue 80 MET Chi-restraints excluded: chain D residue 92 CYS Chi-restraints excluded: chain D residue 124 VAL Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 239 VAL Chi-restraints excluded: chain D residue 263 VAL Chi-restraints excluded: chain E residue 80 MET Chi-restraints excluded: chain E residue 101 LEU Chi-restraints excluded: chain E residue 124 VAL Chi-restraints excluded: chain E residue 148 THR Chi-restraints excluded: chain E residue 168 SER Chi-restraints excluded: chain E residue 199 ILE Chi-restraints excluded: chain E residue 239 VAL Chi-restraints excluded: chain E residue 245 SER Chi-restraints excluded: chain F residue 80 MET Chi-restraints excluded: chain F residue 92 CYS Chi-restraints excluded: chain F residue 101 LEU Chi-restraints excluded: chain F residue 124 VAL Chi-restraints excluded: chain F residue 149 THR Chi-restraints excluded: chain F residue 170 VAL Chi-restraints excluded: chain F residue 174 THR Chi-restraints excluded: chain F residue 207 LYS Chi-restraints excluded: chain F residue 239 VAL Chi-restraints excluded: chain F residue 263 VAL Chi-restraints excluded: chain G residue 80 MET Chi-restraints excluded: chain G residue 101 LEU Chi-restraints excluded: chain G residue 124 VAL Chi-restraints excluded: chain G residue 148 THR Chi-restraints excluded: chain G residue 199 ILE Chi-restraints excluded: chain G residue 239 VAL Chi-restraints excluded: chain G residue 245 SER Chi-restraints excluded: chain H residue 48 GLN Chi-restraints excluded: chain H residue 68 ASN Chi-restraints excluded: chain H residue 80 MET Chi-restraints excluded: chain H residue 92 CYS Chi-restraints excluded: chain H residue 124 VAL Chi-restraints excluded: chain H residue 149 THR Chi-restraints excluded: chain H residue 239 VAL Chi-restraints excluded: chain H residue 263 VAL Chi-restraints excluded: chain I residue 48 GLN Chi-restraints excluded: chain I residue 68 ASN Chi-restraints excluded: chain I residue 123 LYS Chi-restraints excluded: chain I residue 148 THR Chi-restraints excluded: chain I residue 149 THR Chi-restraints excluded: chain I residue 174 THR Chi-restraints excluded: chain I residue 180 VAL Chi-restraints excluded: chain I residue 239 VAL Chi-restraints excluded: chain I residue 274 SER Chi-restraints excluded: chain J residue 48 GLN Chi-restraints excluded: chain J residue 92 CYS Chi-restraints excluded: chain J residue 101 LEU Chi-restraints excluded: chain J residue 124 VAL Chi-restraints excluded: chain J residue 148 THR Chi-restraints excluded: chain J residue 149 THR Chi-restraints excluded: chain J residue 239 VAL Chi-restraints excluded: chain J residue 243 ASN Chi-restraints excluded: chain J residue 263 VAL Chi-restraints excluded: chain J residue 288 ASN Chi-restraints excluded: chain K residue 48 GLN Chi-restraints excluded: chain K residue 51 ASP Chi-restraints excluded: chain K residue 68 ASN Chi-restraints excluded: chain K residue 123 LYS Chi-restraints excluded: chain K residue 148 THR Chi-restraints excluded: chain K residue 149 THR Chi-restraints excluded: chain K residue 174 THR Chi-restraints excluded: chain K residue 180 VAL Chi-restraints excluded: chain K residue 239 VAL Chi-restraints excluded: chain K residue 274 SER Chi-restraints excluded: chain L residue 48 GLN Chi-restraints excluded: chain L residue 101 LEU Chi-restraints excluded: chain L residue 124 VAL Chi-restraints excluded: chain L residue 148 THR Chi-restraints excluded: chain L residue 149 THR Chi-restraints excluded: chain L residue 239 VAL Chi-restraints excluded: chain L residue 263 VAL Chi-restraints excluded: chain L residue 288 ASN Chi-restraints excluded: chain M residue 80 MET Chi-restraints excluded: chain M residue 124 VAL Chi-restraints excluded: chain M residue 148 THR Chi-restraints excluded: chain M residue 199 ILE Chi-restraints excluded: chain M residue 239 VAL Chi-restraints excluded: chain M residue 245 SER Chi-restraints excluded: chain M residue 340 LYS Chi-restraints excluded: chain N residue 48 GLN Chi-restraints excluded: chain N residue 68 ASN Chi-restraints excluded: chain N residue 80 MET Chi-restraints excluded: chain N residue 92 CYS Chi-restraints excluded: chain N residue 124 VAL Chi-restraints excluded: chain N residue 149 THR Chi-restraints excluded: chain N residue 239 VAL Chi-restraints excluded: chain N residue 263 VAL Chi-restraints excluded: chain O residue 80 MET Chi-restraints excluded: chain O residue 123 LYS Chi-restraints excluded: chain O residue 124 VAL Chi-restraints excluded: chain O residue 135 SER Chi-restraints excluded: chain O residue 148 THR Chi-restraints excluded: chain O residue 149 THR Chi-restraints excluded: chain O residue 199 ILE Chi-restraints excluded: chain O residue 239 VAL Chi-restraints excluded: chain O residue 245 SER Chi-restraints excluded: chain P residue 48 GLN Chi-restraints excluded: chain P residue 68 ASN Chi-restraints excluded: chain P residue 80 MET Chi-restraints excluded: chain P residue 92 CYS Chi-restraints excluded: chain P residue 124 VAL Chi-restraints excluded: chain P residue 149 THR Chi-restraints excluded: chain P residue 239 VAL Chi-restraints excluded: chain P residue 263 VAL Chi-restraints excluded: chain P residue 361 LYS Chi-restraints excluded: chain Q residue 48 GLN Chi-restraints excluded: chain Q residue 68 ASN Chi-restraints excluded: chain Q residue 123 LYS Chi-restraints excluded: chain Q residue 148 THR Chi-restraints excluded: chain Q residue 149 THR Chi-restraints excluded: chain Q residue 174 THR Chi-restraints excluded: chain Q residue 180 VAL Chi-restraints excluded: chain Q residue 239 VAL Chi-restraints excluded: chain Q residue 274 SER Chi-restraints excluded: chain R residue 48 GLN Chi-restraints excluded: chain R residue 92 CYS Chi-restraints excluded: chain R residue 101 LEU Chi-restraints excluded: chain R residue 124 VAL Chi-restraints excluded: chain R residue 148 THR Chi-restraints excluded: chain R residue 149 THR Chi-restraints excluded: chain R residue 239 VAL Chi-restraints excluded: chain R residue 243 ASN Chi-restraints excluded: chain R residue 263 VAL Chi-restraints excluded: chain R residue 288 ASN Chi-restraints excluded: chain S residue 48 GLN Chi-restraints excluded: chain S residue 92 CYS Chi-restraints excluded: chain S residue 101 LEU Chi-restraints excluded: chain S residue 124 VAL Chi-restraints excluded: chain S residue 148 THR Chi-restraints excluded: chain S residue 149 THR Chi-restraints excluded: chain S residue 239 VAL Chi-restraints excluded: chain S residue 243 ASN Chi-restraints excluded: chain S residue 263 VAL Chi-restraints excluded: chain S residue 288 ASN Chi-restraints excluded: chain T residue 48 GLN Chi-restraints excluded: chain T residue 68 ASN Chi-restraints excluded: chain T residue 123 LYS Chi-restraints excluded: chain T residue 148 THR Chi-restraints excluded: chain T residue 149 THR Chi-restraints excluded: chain T residue 174 THR Chi-restraints excluded: chain T residue 180 VAL Chi-restraints excluded: chain T residue 236 ASN Chi-restraints excluded: chain T residue 239 VAL Chi-restraints excluded: chain T residue 274 SER Chi-restraints excluded: chain U residue 48 GLN Chi-restraints excluded: chain U residue 101 LEU Chi-restraints excluded: chain U residue 124 VAL Chi-restraints excluded: chain U residue 148 THR Chi-restraints excluded: chain U residue 149 THR Chi-restraints excluded: chain U residue 239 VAL Chi-restraints excluded: chain U residue 263 VAL Chi-restraints excluded: chain U residue 288 ASN Chi-restraints excluded: chain V residue 48 GLN Chi-restraints excluded: chain V residue 68 ASN Chi-restraints excluded: chain V residue 123 LYS Chi-restraints excluded: chain V residue 148 THR Chi-restraints excluded: chain V residue 149 THR Chi-restraints excluded: chain V residue 174 THR Chi-restraints excluded: chain V residue 180 VAL Chi-restraints excluded: chain V residue 239 VAL Chi-restraints excluded: chain V residue 274 SER Chi-restraints excluded: chain W residue 48 GLN Chi-restraints excluded: chain W residue 68 ASN Chi-restraints excluded: chain W residue 80 MET Chi-restraints excluded: chain W residue 92 CYS Chi-restraints excluded: chain W residue 124 VAL Chi-restraints excluded: chain W residue 149 THR Chi-restraints excluded: chain W residue 239 VAL Chi-restraints excluded: chain W residue 263 VAL Chi-restraints excluded: chain X residue 80 MET Chi-restraints excluded: chain X residue 124 VAL Chi-restraints excluded: chain X residue 148 THR Chi-restraints excluded: chain X residue 149 THR Chi-restraints excluded: chain X residue 199 ILE Chi-restraints excluded: chain X residue 239 VAL Chi-restraints excluded: chain X residue 245 SER Chi-restraints excluded: chain Y residue 48 GLN Chi-restraints excluded: chain Y residue 68 ASN Chi-restraints excluded: chain Y residue 80 MET Chi-restraints excluded: chain Y residue 92 CYS Chi-restraints excluded: chain Y residue 124 VAL Chi-restraints excluded: chain Y residue 149 THR Chi-restraints excluded: chain Y residue 221 SER Chi-restraints excluded: chain Y residue 239 VAL Chi-restraints excluded: chain Y residue 263 VAL Chi-restraints excluded: chain Z residue 80 MET Chi-restraints excluded: chain Z residue 124 VAL Chi-restraints excluded: chain Z residue 135 SER Chi-restraints excluded: chain Z residue 148 THR Chi-restraints excluded: chain Z residue 149 THR Chi-restraints excluded: chain Z residue 199 ILE Chi-restraints excluded: chain Z residue 239 VAL Chi-restraints excluded: chain Z residue 245 SER Chi-restraints excluded: chain 1 residue 80 MET Chi-restraints excluded: chain 1 residue 92 CYS Chi-restraints excluded: chain 1 residue 101 LEU Chi-restraints excluded: chain 1 residue 124 VAL Chi-restraints excluded: chain 1 residue 149 THR Chi-restraints excluded: chain 1 residue 170 VAL Chi-restraints excluded: chain 1 residue 174 THR Chi-restraints excluded: chain 1 residue 207 LYS Chi-restraints excluded: chain 1 residue 239 VAL Chi-restraints excluded: chain 2 residue 80 MET Chi-restraints excluded: chain 2 residue 92 CYS Chi-restraints excluded: chain 2 residue 101 LEU Chi-restraints excluded: chain 2 residue 124 VAL Chi-restraints excluded: chain 2 residue 149 THR Chi-restraints excluded: chain 2 residue 170 VAL Chi-restraints excluded: chain 2 residue 174 THR Chi-restraints excluded: chain 2 residue 207 LYS Chi-restraints excluded: chain 2 residue 239 VAL Chi-restraints excluded: chain 2 residue 263 VAL Chi-restraints excluded: chain 3 residue 80 MET Chi-restraints excluded: chain 3 residue 92 CYS Chi-restraints excluded: chain 3 residue 101 LEU Chi-restraints excluded: chain 3 residue 124 VAL Chi-restraints excluded: chain 3 residue 149 THR Chi-restraints excluded: chain 3 residue 170 VAL Chi-restraints excluded: chain 3 residue 174 THR Chi-restraints excluded: chain 3 residue 207 LYS Chi-restraints excluded: chain 3 residue 239 VAL Chi-restraints excluded: chain 3 residue 263 VAL Chi-restraints excluded: chain 4 residue 80 MET Chi-restraints excluded: chain 4 residue 92 CYS Chi-restraints excluded: chain 4 residue 101 LEU Chi-restraints excluded: chain 4 residue 124 VAL Chi-restraints excluded: chain 4 residue 149 THR Chi-restraints excluded: chain 4 residue 170 VAL Chi-restraints excluded: chain 4 residue 174 THR Chi-restraints excluded: chain 4 residue 207 LYS Chi-restraints excluded: chain 4 residue 239 VAL Chi-restraints excluded: chain 4 residue 263 VAL Chi-restraints excluded: chain 5 residue 80 MET Chi-restraints excluded: chain 5 residue 92 CYS Chi-restraints excluded: chain 5 residue 101 LEU Chi-restraints excluded: chain 5 residue 124 VAL Chi-restraints excluded: chain 5 residue 149 THR Chi-restraints excluded: chain 5 residue 170 VAL Chi-restraints excluded: chain 5 residue 174 THR Chi-restraints excluded: chain 5 residue 207 LYS Chi-restraints excluded: chain 5 residue 239 VAL Chi-restraints excluded: chain 5 residue 263 VAL Chi-restraints excluded: chain 6 residue 80 MET Chi-restraints excluded: chain 6 residue 92 CYS Chi-restraints excluded: chain 6 residue 124 VAL Chi-restraints excluded: chain 6 residue 149 THR Chi-restraints excluded: chain 6 residue 170 VAL Chi-restraints excluded: chain 6 residue 174 THR Chi-restraints excluded: chain 6 residue 207 LYS Chi-restraints excluded: chain 6 residue 239 VAL Chi-restraints excluded: chain 6 residue 263 VAL Chi-restraints excluded: chain a residue 48 GLN Chi-restraints excluded: chain a residue 68 ASN Chi-restraints excluded: chain a residue 123 LYS Chi-restraints excluded: chain a residue 148 THR Chi-restraints excluded: chain a residue 149 THR Chi-restraints excluded: chain a residue 174 THR Chi-restraints excluded: chain a residue 180 VAL Chi-restraints excluded: chain a residue 239 VAL Chi-restraints excluded: chain a residue 274 SER Chi-restraints excluded: chain b residue 80 MET Chi-restraints excluded: chain b residue 124 VAL Chi-restraints excluded: chain b residue 148 THR Chi-restraints excluded: chain b residue 149 THR Chi-restraints excluded: chain b residue 199 ILE Chi-restraints excluded: chain b residue 239 VAL Chi-restraints excluded: chain b residue 245 SER Chi-restraints excluded: chain b residue 340 LYS Chi-restraints excluded: chain c residue 48 GLN Chi-restraints excluded: chain c residue 68 ASN Chi-restraints excluded: chain c residue 92 CYS Chi-restraints excluded: chain c residue 124 VAL Chi-restraints excluded: chain c residue 149 THR Chi-restraints excluded: chain c residue 221 SER Chi-restraints excluded: chain c residue 239 VAL Chi-restraints excluded: chain c residue 263 VAL Chi-restraints excluded: chain d residue 48 GLN Chi-restraints excluded: chain d residue 68 ASN Chi-restraints excluded: chain d residue 80 MET Chi-restraints excluded: chain d residue 92 CYS Chi-restraints excluded: chain d residue 124 VAL Chi-restraints excluded: chain d residue 149 THR Chi-restraints excluded: chain d residue 239 VAL Chi-restraints excluded: chain d residue 263 VAL Chi-restraints excluded: chain e residue 48 GLN Chi-restraints excluded: chain e residue 68 ASN Chi-restraints excluded: chain e residue 80 MET Chi-restraints excluded: chain e residue 92 CYS Chi-restraints excluded: chain e residue 124 VAL Chi-restraints excluded: chain e residue 149 THR Chi-restraints excluded: chain e residue 239 VAL Chi-restraints excluded: chain e residue 263 VAL Chi-restraints excluded: chain e residue 361 LYS Chi-restraints excluded: chain f residue 80 MET Chi-restraints excluded: chain f residue 124 VAL Chi-restraints excluded: chain f residue 148 THR Chi-restraints excluded: chain f residue 149 THR Chi-restraints excluded: chain f residue 199 ILE Chi-restraints excluded: chain f residue 239 VAL Chi-restraints excluded: chain f residue 245 SER Chi-restraints excluded: chain g residue 48 GLN Chi-restraints excluded: chain g residue 51 ASP Chi-restraints excluded: chain g residue 68 ASN Chi-restraints excluded: chain g residue 123 LYS Chi-restraints excluded: chain g residue 148 THR Chi-restraints excluded: chain g residue 149 THR Chi-restraints excluded: chain g residue 174 THR Chi-restraints excluded: chain g residue 180 VAL Chi-restraints excluded: chain g residue 239 VAL Chi-restraints excluded: chain g residue 274 SER Chi-restraints excluded: chain h residue 80 MET Chi-restraints excluded: chain h residue 92 CYS Chi-restraints excluded: chain h residue 101 LEU Chi-restraints excluded: chain h residue 124 VAL Chi-restraints excluded: chain h residue 170 VAL Chi-restraints excluded: chain h residue 174 THR Chi-restraints excluded: chain h residue 207 LYS Chi-restraints excluded: chain h residue 239 VAL Chi-restraints excluded: chain h residue 263 VAL Chi-restraints excluded: chain i residue 80 MET Chi-restraints excluded: chain i residue 124 VAL Chi-restraints excluded: chain i residue 148 THR Chi-restraints excluded: chain i residue 149 THR Chi-restraints excluded: chain i residue 199 ILE Chi-restraints excluded: chain i residue 239 VAL Chi-restraints excluded: chain i residue 245 SER Chi-restraints excluded: chain j residue 48 GLN Chi-restraints excluded: chain j residue 68 ASN Chi-restraints excluded: chain j residue 123 LYS Chi-restraints excluded: chain j residue 148 THR Chi-restraints excluded: chain j residue 149 THR Chi-restraints excluded: chain j residue 174 THR Chi-restraints excluded: chain j residue 180 VAL Chi-restraints excluded: chain j residue 239 VAL Chi-restraints excluded: chain j residue 274 SER Chi-restraints excluded: chain k residue 48 GLN Chi-restraints excluded: chain k residue 92 CYS Chi-restraints excluded: chain k residue 101 LEU Chi-restraints excluded: chain k residue 124 VAL Chi-restraints excluded: chain k residue 148 THR Chi-restraints excluded: chain k residue 149 THR Chi-restraints excluded: chain k residue 239 VAL Chi-restraints excluded: chain k residue 243 ASN Chi-restraints excluded: chain k residue 263 VAL Chi-restraints excluded: chain k residue 288 ASN Chi-restraints excluded: chain l residue 48 GLN Chi-restraints excluded: chain l residue 101 LEU Chi-restraints excluded: chain l residue 124 VAL Chi-restraints excluded: chain l residue 148 THR Chi-restraints excluded: chain l residue 149 THR Chi-restraints excluded: chain l residue 239 VAL Chi-restraints excluded: chain l residue 243 ASN Chi-restraints excluded: chain l residue 263 VAL Chi-restraints excluded: chain l residue 288 ASN Chi-restraints excluded: chain m residue 48 GLN Chi-restraints excluded: chain m residue 92 CYS Chi-restraints excluded: chain m residue 101 LEU Chi-restraints excluded: chain m residue 124 VAL Chi-restraints excluded: chain m residue 148 THR Chi-restraints excluded: chain m residue 149 THR Chi-restraints excluded: chain m residue 239 VAL Chi-restraints excluded: chain m residue 263 VAL Chi-restraints excluded: chain m residue 288 ASN Chi-restraints excluded: chain n residue 80 MET Chi-restraints excluded: chain n residue 101 LEU Chi-restraints excluded: chain n residue 124 VAL Chi-restraints excluded: chain n residue 148 THR Chi-restraints excluded: chain n residue 149 THR Chi-restraints excluded: chain n residue 199 ILE Chi-restraints excluded: chain n residue 239 VAL Chi-restraints excluded: chain n residue 245 SER Chi-restraints excluded: chain o residue 48 GLN Chi-restraints excluded: chain o residue 68 ASN Chi-restraints excluded: chain o residue 123 LYS Chi-restraints excluded: chain o residue 148 THR Chi-restraints excluded: chain o residue 149 THR Chi-restraints excluded: chain o residue 174 THR Chi-restraints excluded: chain o residue 180 VAL Chi-restraints excluded: chain o residue 239 VAL Chi-restraints excluded: chain o residue 274 SER Chi-restraints excluded: chain p residue 80 MET Chi-restraints excluded: chain p residue 92 CYS Chi-restraints excluded: chain p residue 101 LEU Chi-restraints excluded: chain p residue 124 VAL Chi-restraints excluded: chain p residue 149 THR Chi-restraints excluded: chain p residue 170 VAL Chi-restraints excluded: chain p residue 174 THR Chi-restraints excluded: chain p residue 207 LYS Chi-restraints excluded: chain p residue 239 VAL Chi-restraints excluded: chain p residue 263 VAL Chi-restraints excluded: chain q residue 80 MET Chi-restraints excluded: chain q residue 92 CYS Chi-restraints excluded: chain q residue 101 LEU Chi-restraints excluded: chain q residue 124 VAL Chi-restraints excluded: chain q residue 148 THR Chi-restraints excluded: chain q residue 149 THR Chi-restraints excluded: chain q residue 199 ILE Chi-restraints excluded: chain q residue 239 VAL Chi-restraints excluded: chain q residue 245 SER Chi-restraints excluded: chain r residue 48 GLN Chi-restraints excluded: chain r residue 68 ASN Chi-restraints excluded: chain r residue 123 LYS Chi-restraints excluded: chain r residue 148 THR Chi-restraints excluded: chain r residue 149 THR Chi-restraints excluded: chain r residue 174 THR Chi-restraints excluded: chain r residue 180 VAL Chi-restraints excluded: chain r residue 239 VAL Chi-restraints excluded: chain r residue 274 SER Chi-restraints excluded: chain s residue 80 MET Chi-restraints excluded: chain s residue 92 CYS Chi-restraints excluded: chain s residue 101 LEU Chi-restraints excluded: chain s residue 124 VAL Chi-restraints excluded: chain s residue 170 VAL Chi-restraints excluded: chain s residue 174 THR Chi-restraints excluded: chain s residue 207 LYS Chi-restraints excluded: chain s residue 239 VAL Chi-restraints excluded: chain s residue 263 VAL Chi-restraints excluded: chain t residue 48 GLN Chi-restraints excluded: chain t residue 101 LEU Chi-restraints excluded: chain t residue 124 VAL Chi-restraints excluded: chain t residue 148 THR Chi-restraints excluded: chain t residue 149 THR Chi-restraints excluded: chain t residue 239 VAL Chi-restraints excluded: chain t residue 263 VAL Chi-restraints excluded: chain t residue 288 ASN Chi-restraints excluded: chain u residue 48 GLN Chi-restraints excluded: chain u residue 92 CYS Chi-restraints excluded: chain u residue 101 LEU Chi-restraints excluded: chain u residue 124 VAL Chi-restraints excluded: chain u residue 148 THR Chi-restraints excluded: chain u residue 149 THR Chi-restraints excluded: chain u residue 239 VAL Chi-restraints excluded: chain u residue 263 VAL Chi-restraints excluded: chain u residue 288 ASN Chi-restraints excluded: chain v residue 48 GLN Chi-restraints excluded: chain v residue 92 CYS Chi-restraints excluded: chain v residue 101 LEU Chi-restraints excluded: chain v residue 124 VAL Chi-restraints excluded: chain v residue 148 THR Chi-restraints excluded: chain v residue 149 THR Chi-restraints excluded: chain v residue 239 VAL Chi-restraints excluded: chain v residue 263 VAL Chi-restraints excluded: chain v residue 288 ASN Chi-restraints excluded: chain w residue 80 MET Chi-restraints excluded: chain w residue 92 CYS Chi-restraints excluded: chain w residue 101 LEU Chi-restraints excluded: chain w residue 124 VAL Chi-restraints excluded: chain w residue 170 VAL Chi-restraints excluded: chain w residue 174 THR Chi-restraints excluded: chain w residue 207 LYS Chi-restraints excluded: chain w residue 239 VAL Chi-restraints excluded: chain w residue 263 VAL Chi-restraints excluded: chain x residue 48 GLN Chi-restraints excluded: chain x residue 68 ASN Chi-restraints excluded: chain x residue 123 LYS Chi-restraints excluded: chain x residue 148 THR Chi-restraints excluded: chain x residue 149 THR Chi-restraints excluded: chain x residue 174 THR Chi-restraints excluded: chain x residue 180 VAL Chi-restraints excluded: chain x residue 236 ASN Chi-restraints excluded: chain x residue 239 VAL Chi-restraints excluded: chain x residue 274 SER Chi-restraints excluded: chain y residue 48 GLN Chi-restraints excluded: chain y residue 68 ASN Chi-restraints excluded: chain y residue 80 MET Chi-restraints excluded: chain y residue 92 CYS Chi-restraints excluded: chain y residue 124 VAL Chi-restraints excluded: chain y residue 149 THR Chi-restraints excluded: chain y residue 239 VAL Chi-restraints excluded: chain y residue 263 VAL Chi-restraints excluded: chain z residue 48 GLN Chi-restraints excluded: chain z residue 68 ASN Chi-restraints excluded: chain z residue 80 MET Chi-restraints excluded: chain z residue 92 CYS Chi-restraints excluded: chain z residue 124 VAL Chi-restraints excluded: chain z residue 149 THR Chi-restraints excluded: chain z residue 239 VAL Chi-restraints excluded: chain z residue 263 VAL Chi-restraints excluded: chain 7 residue 48 GLN Chi-restraints excluded: chain 7 residue 68 ASN Chi-restraints excluded: chain 7 residue 80 MET Chi-restraints excluded: chain 7 residue 92 CYS Chi-restraints excluded: chain 7 residue 124 VAL Chi-restraints excluded: chain 7 residue 149 THR Chi-restraints excluded: chain 7 residue 221 SER Chi-restraints excluded: chain 7 residue 239 VAL Chi-restraints excluded: chain 7 residue 263 VAL Chi-restraints excluded: chain 8 residue 80 MET Chi-restraints excluded: chain 8 residue 124 VAL Chi-restraints excluded: chain 8 residue 135 SER Chi-restraints excluded: chain 8 residue 148 THR Chi-restraints excluded: chain 8 residue 149 THR Chi-restraints excluded: chain 8 residue 199 ILE Chi-restraints excluded: chain 8 residue 239 VAL Chi-restraints excluded: chain 8 residue 245 SER Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1860 random chunks: chunk 1664 optimal weight: 5.9990 chunk 1097 optimal weight: 5.9990 chunk 1766 optimal weight: 5.9990 chunk 1078 optimal weight: 0.9980 chunk 838 optimal weight: 1.9990 chunk 1228 optimal weight: 7.9990 chunk 1853 optimal weight: 1.9990 chunk 1705 optimal weight: 0.9990 chunk 1475 optimal weight: 0.9990 chunk 153 optimal weight: 3.9990 chunk 1139 optimal weight: 8.9990 overall best weight: 1.3988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 152 ASN ** A 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 317 ASN A 328 GLN B 152 ASN ** B 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 317 ASN C 152 ASN ** C 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 152 ASN D 213 GLN D 317 ASN D 328 GLN E 152 ASN ** E 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 152 ASN ** F 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 317 ASN F 328 GLN G 152 ASN ** G 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 152 ASN ** H 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 213 GLN H 284 GLN H 317 ASN H 328 GLN I 152 ASN ** I 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 152 ASN ** J 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 317 ASN K 152 ASN ** K 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 130 ASN L 152 ASN ** L 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 317 ASN M 152 ASN ** M 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 152 ASN ** N 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** N 213 GLN N 317 ASN N 328 GLN O 152 ASN ** O 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 328 GLN P 152 ASN P 213 GLN P 328 GLN Q 152 ASN ** Q 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 152 ASN ** R 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** R 236 ASN R 317 ASN S 152 ASN ** S 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** S 317 ASN T 152 ASN ** T 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** T 197 ASN ** T 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 130 ASN U 152 ASN ** U 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** U 317 ASN V 152 ASN ** V 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 152 ASN ** W 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** W 213 GLN W 328 GLN X 152 ASN ** X 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 152 ASN ** Y 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 317 ASN Y 328 GLN Z 152 ASN Z 213 GLN ** Z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 328 GLN 1 152 ASN ** 1 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 317 ASN 1 328 GLN 2 152 ASN ** 2 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 317 ASN 2 328 GLN 3 152 ASN ** 3 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 317 ASN 3 328 GLN 4 152 ASN ** 4 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 317 ASN 4 328 GLN 5 152 ASN ** 5 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 317 ASN 5 328 GLN 6 152 ASN ** 6 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 317 ASN 6 328 GLN a 152 ASN ** a 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 152 ASN b 213 GLN ** b 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 328 GLN c 152 ASN ** c 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** c 213 GLN c 328 GLN d 152 ASN ** d 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** d 213 GLN d 284 GLN d 328 GLN e 152 ASN e 213 GLN ** e 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 328 GLN f 152 ASN f 213 GLN ** f 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 328 GLN g 152 ASN ** g 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** g 197 ASN ** g 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 152 ASN ** h 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 317 ASN h 328 GLN i 152 ASN ** i 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 152 ASN ** j 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 152 ASN ** k 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** k 317 ASN l 152 ASN ** l 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** l 317 ASN m 130 ASN m 152 ASN ** m 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** m 317 ASN n 152 ASN n 213 GLN ** n 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 328 GLN o 152 ASN ** o 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 152 ASN ** p 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 317 ASN p 328 GLN q 152 ASN ** q 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 152 ASN ** r 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 152 ASN ** s 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 317 ASN s 328 GLN t 130 ASN t 152 ASN ** t 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** t 317 ASN u 152 ASN ** u 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** u 317 ASN v 152 ASN ** v 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** v 317 ASN w 152 ASN ** w 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 317 ASN w 328 GLN x 152 ASN ** x 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 152 ASN ** y 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** y 213 GLN y 284 GLN y 317 ASN y 328 GLN z 152 ASN ** z 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** z 213 GLN z 312 ASN z 317 ASN z 328 GLN 7 152 ASN ** 7 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 317 ASN 7 328 GLN 8 152 ASN 8 213 GLN ** 8 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 146 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8512 moved from start: 0.2991 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.108 155760 Z= 0.316 Angle : 0.653 59.200 211920 Z= 0.360 Chirality : 0.049 0.326 23220 Planarity : 0.004 0.042 27240 Dihedral : 6.319 58.038 20640 Min Nonbonded Distance : 2.075 Molprobity Statistics. All-atom Clashscore : 13.54 Ramachandran Plot: Outliers : 0.06 % Allowed : 6.50 % Favored : 93.44 % Rotamer: Outliers : 3.79 % Allowed : 16.93 % Favored : 79.28 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.14 (0.06), residues: 18780 helix: -2.23 (0.14), residues: 1200 sheet: -0.46 (0.07), residues: 6180 loop : -0.70 (0.06), residues: 11400 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.013 0.001 TRP g 211 HIS 0.006 0.001 HIS P 159 PHE 0.022 0.002 PHE i 285 TYR 0.016 0.002 TYR R 110 ARG 0.009 0.001 ARG D 61 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 37560 Ramachandran restraints generated. 18780 Oldfield, 0 Emsley, 18780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 37560 Ramachandran restraints generated. 18780 Oldfield, 0 Emsley, 18780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3012 residues out of total 16980 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 644 poor density : 2368 time to evaluate : 12.278 Fit side-chains REVERT: B 51 ASP cc_start: 0.8319 (t70) cc_final: 0.8080 (t70) REVERT: B 364 MET cc_start: 0.8676 (ptp) cc_final: 0.8412 (ptm) REVERT: C 48 GLN cc_start: 0.8450 (OUTLIER) cc_final: 0.8036 (mt0) REVERT: C 123 LYS cc_start: 0.8316 (OUTLIER) cc_final: 0.7894 (tptm) REVERT: D 48 GLN cc_start: 0.8633 (OUTLIER) cc_final: 0.8330 (mt0) REVERT: D 187 ASP cc_start: 0.8381 (p0) cc_final: 0.8117 (p0) REVERT: D 362 MET cc_start: 0.8841 (mtp) cc_final: 0.8304 (mtp) REVERT: E 199 ILE cc_start: 0.9104 (OUTLIER) cc_final: 0.8806 (mt) REVERT: G 199 ILE cc_start: 0.9094 (OUTLIER) cc_final: 0.8802 (mt) REVERT: H 48 GLN cc_start: 0.8629 (OUTLIER) cc_final: 0.8325 (mt0) REVERT: H 187 ASP cc_start: 0.8387 (p0) cc_final: 0.8121 (p0) REVERT: I 48 GLN cc_start: 0.8447 (OUTLIER) cc_final: 0.8026 (mt0) REVERT: I 123 LYS cc_start: 0.8315 (OUTLIER) cc_final: 0.7895 (tptm) REVERT: J 80 MET cc_start: 0.9028 (ptt) cc_final: 0.8825 (ptt) REVERT: J 364 MET cc_start: 0.8685 (ptp) cc_final: 0.8409 (ptm) REVERT: K 48 GLN cc_start: 0.8438 (OUTLIER) cc_final: 0.8043 (mt0) REVERT: K 123 LYS cc_start: 0.8359 (OUTLIER) cc_final: 0.7924 (tptm) REVERT: L 364 MET cc_start: 0.8674 (ptp) cc_final: 0.8425 (ptm) REVERT: M 199 ILE cc_start: 0.9098 (OUTLIER) cc_final: 0.8822 (mt) REVERT: N 48 GLN cc_start: 0.8634 (OUTLIER) cc_final: 0.8330 (mt0) REVERT: N 187 ASP cc_start: 0.8391 (p0) cc_final: 0.8121 (p0) REVERT: O 123 LYS cc_start: 0.8393 (OUTLIER) cc_final: 0.8177 (tppt) REVERT: O 199 ILE cc_start: 0.9103 (OUTLIER) cc_final: 0.8825 (mt) REVERT: P 48 GLN cc_start: 0.8627 (OUTLIER) cc_final: 0.8326 (mt0) REVERT: P 187 ASP cc_start: 0.8384 (p0) cc_final: 0.8114 (p0) REVERT: Q 48 GLN cc_start: 0.8427 (OUTLIER) cc_final: 0.8027 (mt0) REVERT: Q 123 LYS cc_start: 0.8351 (OUTLIER) cc_final: 0.7922 (tptm) REVERT: R 364 MET cc_start: 0.8675 (ptp) cc_final: 0.8410 (ptm) REVERT: S 80 MET cc_start: 0.9020 (ptt) cc_final: 0.8819 (ptt) REVERT: S 364 MET cc_start: 0.8682 (ptp) cc_final: 0.8413 (ptm) REVERT: T 48 GLN cc_start: 0.8453 (OUTLIER) cc_final: 0.8042 (mt0) REVERT: T 123 LYS cc_start: 0.8350 (OUTLIER) cc_final: 0.7920 (tptm) REVERT: T 236 ASN cc_start: 0.8054 (OUTLIER) cc_final: 0.7487 (p0) REVERT: U 364 MET cc_start: 0.8686 (ptp) cc_final: 0.8454 (ptm) REVERT: V 48 GLN cc_start: 0.8431 (OUTLIER) cc_final: 0.8033 (mt0) REVERT: V 123 LYS cc_start: 0.8316 (OUTLIER) cc_final: 0.7899 (tptm) REVERT: W 48 GLN cc_start: 0.8636 (OUTLIER) cc_final: 0.8329 (mt0) REVERT: W 187 ASP cc_start: 0.8386 (p0) cc_final: 0.8118 (p0) REVERT: X 199 ILE cc_start: 0.9089 (OUTLIER) cc_final: 0.8793 (mt) REVERT: Y 48 GLN cc_start: 0.8632 (OUTLIER) cc_final: 0.8318 (mt0) REVERT: Z 199 ILE cc_start: 0.9088 (OUTLIER) cc_final: 0.8798 (mt) REVERT: 3 312 ASN cc_start: 0.8597 (OUTLIER) cc_final: 0.8377 (m110) REVERT: a 48 GLN cc_start: 0.8444 (OUTLIER) cc_final: 0.8016 (mt0) REVERT: a 123 LYS cc_start: 0.8300 (OUTLIER) cc_final: 0.7886 (tptm) REVERT: b 199 ILE cc_start: 0.9105 (OUTLIER) cc_final: 0.8828 (mt) REVERT: c 48 GLN cc_start: 0.8646 (OUTLIER) cc_final: 0.8325 (mt0) REVERT: d 48 GLN cc_start: 0.8615 (OUTLIER) cc_final: 0.8311 (mt0) REVERT: e 48 GLN cc_start: 0.8620 (OUTLIER) cc_final: 0.8298 (mt0) REVERT: e 362 MET cc_start: 0.8778 (mtp) cc_final: 0.8280 (mtp) REVERT: f 199 ILE cc_start: 0.9076 (OUTLIER) cc_final: 0.8783 (mt) REVERT: g 48 GLN cc_start: 0.8440 (OUTLIER) cc_final: 0.8044 (mt0) REVERT: g 123 LYS cc_start: 0.8343 (OUTLIER) cc_final: 0.7918 (tptm) REVERT: i 199 ILE cc_start: 0.9093 (OUTLIER) cc_final: 0.8801 (mt) REVERT: j 48 GLN cc_start: 0.8448 (OUTLIER) cc_final: 0.8031 (mt0) REVERT: j 123 LYS cc_start: 0.8313 (OUTLIER) cc_final: 0.7894 (tptm) REVERT: k 286 LYS cc_start: 0.8559 (mtpt) cc_final: 0.8318 (mtmt) REVERT: k 364 MET cc_start: 0.8677 (ptp) cc_final: 0.8411 (ptm) REVERT: l 364 MET cc_start: 0.8677 (ptp) cc_final: 0.8408 (ptm) REVERT: m 364 MET cc_start: 0.8684 (ptp) cc_final: 0.8437 (ptm) REVERT: n 199 ILE cc_start: 0.9091 (OUTLIER) cc_final: 0.8812 (mt) REVERT: o 48 GLN cc_start: 0.8424 (OUTLIER) cc_final: 0.8018 (mt0) REVERT: o 123 LYS cc_start: 0.8341 (OUTLIER) cc_final: 0.7917 (tptm) REVERT: q 199 ILE cc_start: 0.9083 (OUTLIER) cc_final: 0.8797 (mt) REVERT: r 48 GLN cc_start: 0.8443 (OUTLIER) cc_final: 0.8015 (mt0) REVERT: r 123 LYS cc_start: 0.8364 (OUTLIER) cc_final: 0.7936 (tptm) REVERT: t 364 MET cc_start: 0.8686 (ptp) cc_final: 0.8422 (ptm) REVERT: u 364 MET cc_start: 0.8688 (ptp) cc_final: 0.8423 (ptm) REVERT: v 80 MET cc_start: 0.9023 (ptt) cc_final: 0.8818 (ptt) REVERT: v 364 MET cc_start: 0.8686 (ptp) cc_final: 0.8423 (ptm) REVERT: x 48 GLN cc_start: 0.8424 (OUTLIER) cc_final: 0.8021 (mt0) REVERT: x 123 LYS cc_start: 0.8337 (OUTLIER) cc_final: 0.7910 (tptm) REVERT: x 236 ASN cc_start: 0.8055 (OUTLIER) cc_final: 0.7490 (p0) REVERT: y 48 GLN cc_start: 0.8634 (OUTLIER) cc_final: 0.8336 (mt0) REVERT: y 187 ASP cc_start: 0.8383 (p0) cc_final: 0.8115 (p0) REVERT: z 48 GLN cc_start: 0.8638 (OUTLIER) cc_final: 0.8333 (mt0) REVERT: z 187 ASP cc_start: 0.8381 (p0) cc_final: 0.8122 (p0) REVERT: 7 48 GLN cc_start: 0.8629 (OUTLIER) cc_final: 0.8315 (mt0) REVERT: 8 199 ILE cc_start: 0.9099 (OUTLIER) cc_final: 0.8818 (mt) outliers start: 644 outliers final: 482 residues processed: 2820 average time/residue: 2.2034 time to fit residues: 9021.2246 Evaluate side-chains 2864 residues out of total 16980 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 534 poor density : 2330 time to evaluate : 13.082 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 92 CYS Chi-restraints excluded: chain A residue 101 LEU Chi-restraints excluded: chain A residue 124 VAL Chi-restraints excluded: chain A residue 149 THR Chi-restraints excluded: chain A residue 170 VAL Chi-restraints excluded: chain A residue 174 THR Chi-restraints excluded: chain A residue 207 LYS Chi-restraints excluded: chain A residue 239 VAL Chi-restraints excluded: chain A residue 263 VAL Chi-restraints excluded: chain B residue 48 GLN Chi-restraints excluded: chain B residue 92 CYS Chi-restraints excluded: chain B residue 101 LEU Chi-restraints excluded: chain B residue 124 VAL Chi-restraints excluded: chain B residue 128 LEU Chi-restraints excluded: chain B residue 148 THR Chi-restraints excluded: chain B residue 149 THR Chi-restraints excluded: chain B residue 239 VAL Chi-restraints excluded: chain B residue 243 ASN Chi-restraints excluded: chain B residue 263 VAL Chi-restraints excluded: chain B residue 288 ASN Chi-restraints excluded: chain C residue 48 GLN Chi-restraints excluded: chain C residue 68 ASN Chi-restraints excluded: chain C residue 123 LYS Chi-restraints excluded: chain C residue 148 THR Chi-restraints excluded: chain C residue 149 THR Chi-restraints excluded: chain C residue 174 THR Chi-restraints excluded: chain C residue 180 VAL Chi-restraints excluded: chain C residue 239 VAL Chi-restraints excluded: chain C residue 274 SER Chi-restraints excluded: chain D residue 48 GLN Chi-restraints excluded: chain D residue 68 ASN Chi-restraints excluded: chain D residue 80 MET Chi-restraints excluded: chain D residue 92 CYS Chi-restraints excluded: chain D residue 124 VAL Chi-restraints excluded: chain D residue 149 THR Chi-restraints excluded: chain D residue 239 VAL Chi-restraints excluded: chain D residue 263 VAL Chi-restraints excluded: chain E residue 80 MET Chi-restraints excluded: chain E residue 92 CYS Chi-restraints excluded: chain E residue 101 LEU Chi-restraints excluded: chain E residue 124 VAL Chi-restraints excluded: chain E residue 148 THR Chi-restraints excluded: chain E residue 199 ILE Chi-restraints excluded: chain E residue 239 VAL Chi-restraints excluded: chain E residue 245 SER Chi-restraints excluded: chain F residue 80 MET Chi-restraints excluded: chain F residue 92 CYS Chi-restraints excluded: chain F residue 101 LEU Chi-restraints excluded: chain F residue 124 VAL Chi-restraints excluded: chain F residue 149 THR Chi-restraints excluded: chain F residue 170 VAL Chi-restraints excluded: chain F residue 174 THR Chi-restraints excluded: chain F residue 207 LYS Chi-restraints excluded: chain F residue 239 VAL Chi-restraints excluded: chain F residue 263 VAL Chi-restraints excluded: chain G residue 80 MET Chi-restraints excluded: chain G residue 92 CYS Chi-restraints excluded: chain G residue 101 LEU Chi-restraints excluded: chain G residue 124 VAL Chi-restraints excluded: chain G residue 148 THR Chi-restraints excluded: chain G residue 199 ILE Chi-restraints excluded: chain G residue 239 VAL Chi-restraints excluded: chain G residue 245 SER Chi-restraints excluded: chain H residue 48 GLN Chi-restraints excluded: chain H residue 68 ASN Chi-restraints excluded: chain H residue 80 MET Chi-restraints excluded: chain H residue 92 CYS Chi-restraints excluded: chain H residue 124 VAL Chi-restraints excluded: chain H residue 149 THR Chi-restraints excluded: chain H residue 239 VAL Chi-restraints excluded: chain H residue 263 VAL Chi-restraints excluded: chain I residue 48 GLN Chi-restraints excluded: chain I residue 68 ASN Chi-restraints excluded: chain I residue 123 LYS Chi-restraints excluded: chain I residue 148 THR Chi-restraints excluded: chain I residue 149 THR Chi-restraints excluded: chain I residue 174 THR Chi-restraints excluded: chain I residue 180 VAL Chi-restraints excluded: chain I residue 239 VAL Chi-restraints excluded: chain I residue 274 SER Chi-restraints excluded: chain J residue 48 GLN Chi-restraints excluded: chain J residue 92 CYS Chi-restraints excluded: chain J residue 101 LEU Chi-restraints excluded: chain J residue 124 VAL Chi-restraints excluded: chain J residue 128 LEU Chi-restraints excluded: chain J residue 148 THR Chi-restraints excluded: chain J residue 149 THR Chi-restraints excluded: chain J residue 239 VAL Chi-restraints excluded: chain J residue 243 ASN Chi-restraints excluded: chain J residue 263 VAL Chi-restraints excluded: chain J residue 288 ASN Chi-restraints excluded: chain K residue 48 GLN Chi-restraints excluded: chain K residue 68 ASN Chi-restraints excluded: chain K residue 123 LYS Chi-restraints excluded: chain K residue 148 THR Chi-restraints excluded: chain K residue 149 THR Chi-restraints excluded: chain K residue 174 THR Chi-restraints excluded: chain K residue 180 VAL Chi-restraints excluded: chain K residue 239 VAL Chi-restraints excluded: chain K residue 274 SER Chi-restraints excluded: chain L residue 48 GLN Chi-restraints excluded: chain L residue 101 LEU Chi-restraints excluded: chain L residue 124 VAL Chi-restraints excluded: chain L residue 148 THR Chi-restraints excluded: chain L residue 149 THR Chi-restraints excluded: chain L residue 239 VAL Chi-restraints excluded: chain L residue 263 VAL Chi-restraints excluded: chain L residue 288 ASN Chi-restraints excluded: chain M residue 80 MET Chi-restraints excluded: chain M residue 92 CYS Chi-restraints excluded: chain M residue 124 VAL Chi-restraints excluded: chain M residue 148 THR Chi-restraints excluded: chain M residue 199 ILE Chi-restraints excluded: chain M residue 239 VAL Chi-restraints excluded: chain M residue 245 SER Chi-restraints excluded: chain M residue 340 LYS Chi-restraints excluded: chain N residue 48 GLN Chi-restraints excluded: chain N residue 68 ASN Chi-restraints excluded: chain N residue 80 MET Chi-restraints excluded: chain N residue 92 CYS Chi-restraints excluded: chain N residue 124 VAL Chi-restraints excluded: chain N residue 149 THR Chi-restraints excluded: chain N residue 239 VAL Chi-restraints excluded: chain N residue 263 VAL Chi-restraints excluded: chain O residue 80 MET Chi-restraints excluded: chain O residue 92 CYS Chi-restraints excluded: chain O residue 123 LYS Chi-restraints excluded: chain O residue 124 VAL Chi-restraints excluded: chain O residue 135 SER Chi-restraints excluded: chain O residue 148 THR Chi-restraints excluded: chain O residue 149 THR Chi-restraints excluded: chain O residue 199 ILE Chi-restraints excluded: chain O residue 239 VAL Chi-restraints excluded: chain O residue 245 SER Chi-restraints excluded: chain P residue 48 GLN Chi-restraints excluded: chain P residue 68 ASN Chi-restraints excluded: chain P residue 80 MET Chi-restraints excluded: chain P residue 92 CYS Chi-restraints excluded: chain P residue 124 VAL Chi-restraints excluded: chain P residue 149 THR Chi-restraints excluded: chain P residue 239 VAL Chi-restraints excluded: chain P residue 263 VAL Chi-restraints excluded: chain P residue 361 LYS Chi-restraints excluded: chain Q residue 48 GLN Chi-restraints excluded: chain Q residue 68 ASN Chi-restraints excluded: chain Q residue 123 LYS Chi-restraints excluded: chain Q residue 148 THR Chi-restraints excluded: chain Q residue 149 THR Chi-restraints excluded: chain Q residue 174 THR Chi-restraints excluded: chain Q residue 180 VAL Chi-restraints excluded: chain Q residue 239 VAL Chi-restraints excluded: chain Q residue 274 SER Chi-restraints excluded: chain R residue 48 GLN Chi-restraints excluded: chain R residue 92 CYS Chi-restraints excluded: chain R residue 101 LEU Chi-restraints excluded: chain R residue 124 VAL Chi-restraints excluded: chain R residue 148 THR Chi-restraints excluded: chain R residue 149 THR Chi-restraints excluded: chain R residue 239 VAL Chi-restraints excluded: chain R residue 243 ASN Chi-restraints excluded: chain R residue 263 VAL Chi-restraints excluded: chain R residue 288 ASN Chi-restraints excluded: chain S residue 48 GLN Chi-restraints excluded: chain S residue 92 CYS Chi-restraints excluded: chain S residue 101 LEU Chi-restraints excluded: chain S residue 124 VAL Chi-restraints excluded: chain S residue 128 LEU Chi-restraints excluded: chain S residue 148 THR Chi-restraints excluded: chain S residue 149 THR Chi-restraints excluded: chain S residue 239 VAL Chi-restraints excluded: chain S residue 243 ASN Chi-restraints excluded: chain S residue 263 VAL Chi-restraints excluded: chain S residue 288 ASN Chi-restraints excluded: chain T residue 48 GLN Chi-restraints excluded: chain T residue 68 ASN Chi-restraints excluded: chain T residue 123 LYS Chi-restraints excluded: chain T residue 148 THR Chi-restraints excluded: chain T residue 149 THR Chi-restraints excluded: chain T residue 174 THR Chi-restraints excluded: chain T residue 180 VAL Chi-restraints excluded: chain T residue 236 ASN Chi-restraints excluded: chain T residue 239 VAL Chi-restraints excluded: chain T residue 274 SER Chi-restraints excluded: chain U residue 48 GLN Chi-restraints excluded: chain U residue 101 LEU Chi-restraints excluded: chain U residue 124 VAL Chi-restraints excluded: chain U residue 148 THR Chi-restraints excluded: chain U residue 149 THR Chi-restraints excluded: chain U residue 239 VAL Chi-restraints excluded: chain U residue 263 VAL Chi-restraints excluded: chain U residue 288 ASN Chi-restraints excluded: chain V residue 48 GLN Chi-restraints excluded: chain V residue 68 ASN Chi-restraints excluded: chain V residue 123 LYS Chi-restraints excluded: chain V residue 148 THR Chi-restraints excluded: chain V residue 149 THR Chi-restraints excluded: chain V residue 174 THR Chi-restraints excluded: chain V residue 180 VAL Chi-restraints excluded: chain V residue 239 VAL Chi-restraints excluded: chain V residue 274 SER Chi-restraints excluded: chain W residue 48 GLN Chi-restraints excluded: chain W residue 68 ASN Chi-restraints excluded: chain W residue 80 MET Chi-restraints excluded: chain W residue 92 CYS Chi-restraints excluded: chain W residue 124 VAL Chi-restraints excluded: chain W residue 149 THR Chi-restraints excluded: chain W residue 239 VAL Chi-restraints excluded: chain W residue 263 VAL Chi-restraints excluded: chain X residue 80 MET Chi-restraints excluded: chain X residue 92 CYS Chi-restraints excluded: chain X residue 124 VAL Chi-restraints excluded: chain X residue 148 THR Chi-restraints excluded: chain X residue 149 THR Chi-restraints excluded: chain X residue 199 ILE Chi-restraints excluded: chain X residue 239 VAL Chi-restraints excluded: chain X residue 245 SER Chi-restraints excluded: chain Y residue 48 GLN Chi-restraints excluded: chain Y residue 68 ASN Chi-restraints excluded: chain Y residue 80 MET Chi-restraints excluded: chain Y residue 92 CYS Chi-restraints excluded: chain Y residue 124 VAL Chi-restraints excluded: chain Y residue 149 THR Chi-restraints excluded: chain Y residue 221 SER Chi-restraints excluded: chain Y residue 239 VAL Chi-restraints excluded: chain Y residue 263 VAL Chi-restraints excluded: chain Z residue 80 MET Chi-restraints excluded: chain Z residue 92 CYS Chi-restraints excluded: chain Z residue 124 VAL Chi-restraints excluded: chain Z residue 135 SER Chi-restraints excluded: chain Z residue 148 THR Chi-restraints excluded: chain Z residue 149 THR Chi-restraints excluded: chain Z residue 199 ILE Chi-restraints excluded: chain Z residue 239 VAL Chi-restraints excluded: chain Z residue 245 SER Chi-restraints excluded: chain 1 residue 92 CYS Chi-restraints excluded: chain 1 residue 101 LEU Chi-restraints excluded: chain 1 residue 124 VAL Chi-restraints excluded: chain 1 residue 149 THR Chi-restraints excluded: chain 1 residue 170 VAL Chi-restraints excluded: chain 1 residue 174 THR Chi-restraints excluded: chain 1 residue 207 LYS Chi-restraints excluded: chain 1 residue 239 VAL Chi-restraints excluded: chain 2 residue 80 MET Chi-restraints excluded: chain 2 residue 92 CYS Chi-restraints excluded: chain 2 residue 101 LEU Chi-restraints excluded: chain 2 residue 124 VAL Chi-restraints excluded: chain 2 residue 149 THR Chi-restraints excluded: chain 2 residue 170 VAL Chi-restraints excluded: chain 2 residue 174 THR Chi-restraints excluded: chain 2 residue 207 LYS Chi-restraints excluded: chain 2 residue 239 VAL Chi-restraints excluded: chain 2 residue 263 VAL Chi-restraints excluded: chain 3 residue 92 CYS Chi-restraints excluded: chain 3 residue 101 LEU Chi-restraints excluded: chain 3 residue 124 VAL Chi-restraints excluded: chain 3 residue 149 THR Chi-restraints excluded: chain 3 residue 170 VAL Chi-restraints excluded: chain 3 residue 174 THR Chi-restraints excluded: chain 3 residue 207 LYS Chi-restraints excluded: chain 3 residue 239 VAL Chi-restraints excluded: chain 3 residue 263 VAL Chi-restraints excluded: chain 3 residue 312 ASN Chi-restraints excluded: chain 4 residue 92 CYS Chi-restraints excluded: chain 4 residue 101 LEU Chi-restraints excluded: chain 4 residue 124 VAL Chi-restraints excluded: chain 4 residue 149 THR Chi-restraints excluded: chain 4 residue 163 ASP Chi-restraints excluded: chain 4 residue 170 VAL Chi-restraints excluded: chain 4 residue 174 THR Chi-restraints excluded: chain 4 residue 207 LYS Chi-restraints excluded: chain 4 residue 239 VAL Chi-restraints excluded: chain 4 residue 263 VAL Chi-restraints excluded: chain 5 residue 92 CYS Chi-restraints excluded: chain 5 residue 101 LEU Chi-restraints excluded: chain 5 residue 124 VAL Chi-restraints excluded: chain 5 residue 149 THR Chi-restraints excluded: chain 5 residue 170 VAL Chi-restraints excluded: chain 5 residue 174 THR Chi-restraints excluded: chain 5 residue 207 LYS Chi-restraints excluded: chain 5 residue 239 VAL Chi-restraints excluded: chain 5 residue 263 VAL Chi-restraints excluded: chain 6 residue 92 CYS Chi-restraints excluded: chain 6 residue 124 VAL Chi-restraints excluded: chain 6 residue 149 THR Chi-restraints excluded: chain 6 residue 170 VAL Chi-restraints excluded: chain 6 residue 174 THR Chi-restraints excluded: chain 6 residue 207 LYS Chi-restraints excluded: chain 6 residue 239 VAL Chi-restraints excluded: chain 6 residue 263 VAL Chi-restraints excluded: chain a residue 48 GLN Chi-restraints excluded: chain a residue 68 ASN Chi-restraints excluded: chain a residue 123 LYS Chi-restraints excluded: chain a residue 148 THR Chi-restraints excluded: chain a residue 149 THR Chi-restraints excluded: chain a residue 174 THR Chi-restraints excluded: chain a residue 180 VAL Chi-restraints excluded: chain a residue 239 VAL Chi-restraints excluded: chain a residue 274 SER Chi-restraints excluded: chain b residue 80 MET Chi-restraints excluded: chain b residue 92 CYS Chi-restraints excluded: chain b residue 124 VAL Chi-restraints excluded: chain b residue 148 THR Chi-restraints excluded: chain b residue 149 THR Chi-restraints excluded: chain b residue 199 ILE Chi-restraints excluded: chain b residue 239 VAL Chi-restraints excluded: chain b residue 245 SER Chi-restraints excluded: chain b residue 340 LYS Chi-restraints excluded: chain c residue 48 GLN Chi-restraints excluded: chain c residue 68 ASN Chi-restraints excluded: chain c residue 92 CYS Chi-restraints excluded: chain c residue 124 VAL Chi-restraints excluded: chain c residue 149 THR Chi-restraints excluded: chain c residue 221 SER Chi-restraints excluded: chain c residue 239 VAL Chi-restraints excluded: chain c residue 263 VAL Chi-restraints excluded: chain d residue 48 GLN Chi-restraints excluded: chain d residue 68 ASN Chi-restraints excluded: chain d residue 80 MET Chi-restraints excluded: chain d residue 92 CYS Chi-restraints excluded: chain d residue 124 VAL Chi-restraints excluded: chain d residue 149 THR Chi-restraints excluded: chain d residue 239 VAL Chi-restraints excluded: chain d residue 263 VAL Chi-restraints excluded: chain e residue 48 GLN Chi-restraints excluded: chain e residue 68 ASN Chi-restraints excluded: chain e residue 80 MET Chi-restraints excluded: chain e residue 92 CYS Chi-restraints excluded: chain e residue 124 VAL Chi-restraints excluded: chain e residue 149 THR Chi-restraints excluded: chain e residue 239 VAL Chi-restraints excluded: chain e residue 263 VAL Chi-restraints excluded: chain e residue 361 LYS Chi-restraints excluded: chain f residue 80 MET Chi-restraints excluded: chain f residue 92 CYS Chi-restraints excluded: chain f residue 124 VAL Chi-restraints excluded: chain f residue 148 THR Chi-restraints excluded: chain f residue 149 THR Chi-restraints excluded: chain f residue 199 ILE Chi-restraints excluded: chain f residue 239 VAL Chi-restraints excluded: chain f residue 245 SER Chi-restraints excluded: chain g residue 48 GLN Chi-restraints excluded: chain g residue 68 ASN Chi-restraints excluded: chain g residue 123 LYS Chi-restraints excluded: chain g residue 148 THR Chi-restraints excluded: chain g residue 149 THR Chi-restraints excluded: chain g residue 174 THR Chi-restraints excluded: chain g residue 180 VAL Chi-restraints excluded: chain g residue 239 VAL Chi-restraints excluded: chain g residue 274 SER Chi-restraints excluded: chain h residue 92 CYS Chi-restraints excluded: chain h residue 101 LEU Chi-restraints excluded: chain h residue 124 VAL Chi-restraints excluded: chain h residue 170 VAL Chi-restraints excluded: chain h residue 174 THR Chi-restraints excluded: chain h residue 207 LYS Chi-restraints excluded: chain h residue 239 VAL Chi-restraints excluded: chain h residue 263 VAL Chi-restraints excluded: chain i residue 80 MET Chi-restraints excluded: chain i residue 92 CYS Chi-restraints excluded: chain i residue 124 VAL Chi-restraints excluded: chain i residue 148 THR Chi-restraints excluded: chain i residue 149 THR Chi-restraints excluded: chain i residue 199 ILE Chi-restraints excluded: chain i residue 239 VAL Chi-restraints excluded: chain i residue 245 SER Chi-restraints excluded: chain j residue 48 GLN Chi-restraints excluded: chain j residue 68 ASN Chi-restraints excluded: chain j residue 123 LYS Chi-restraints excluded: chain j residue 148 THR Chi-restraints excluded: chain j residue 149 THR Chi-restraints excluded: chain j residue 174 THR Chi-restraints excluded: chain j residue 180 VAL Chi-restraints excluded: chain j residue 239 VAL Chi-restraints excluded: chain j residue 274 SER Chi-restraints excluded: chain k residue 48 GLN Chi-restraints excluded: chain k residue 92 CYS Chi-restraints excluded: chain k residue 101 LEU Chi-restraints excluded: chain k residue 124 VAL Chi-restraints excluded: chain k residue 128 LEU Chi-restraints excluded: chain k residue 148 THR Chi-restraints excluded: chain k residue 149 THR Chi-restraints excluded: chain k residue 239 VAL Chi-restraints excluded: chain k residue 243 ASN Chi-restraints excluded: chain k residue 263 VAL Chi-restraints excluded: chain k residue 288 ASN Chi-restraints excluded: chain l residue 48 GLN Chi-restraints excluded: chain l residue 101 LEU Chi-restraints excluded: chain l residue 124 VAL Chi-restraints excluded: chain l residue 148 THR Chi-restraints excluded: chain l residue 149 THR Chi-restraints excluded: chain l residue 239 VAL Chi-restraints excluded: chain l residue 243 ASN Chi-restraints excluded: chain l residue 263 VAL Chi-restraints excluded: chain l residue 288 ASN Chi-restraints excluded: chain m residue 48 GLN Chi-restraints excluded: chain m residue 92 CYS Chi-restraints excluded: chain m residue 101 LEU Chi-restraints excluded: chain m residue 124 VAL Chi-restraints excluded: chain m residue 148 THR Chi-restraints excluded: chain m residue 149 THR Chi-restraints excluded: chain m residue 239 VAL Chi-restraints excluded: chain m residue 263 VAL Chi-restraints excluded: chain m residue 288 ASN Chi-restraints excluded: chain n residue 80 MET Chi-restraints excluded: chain n residue 92 CYS Chi-restraints excluded: chain n residue 101 LEU Chi-restraints excluded: chain n residue 124 VAL Chi-restraints excluded: chain n residue 148 THR Chi-restraints excluded: chain n residue 149 THR Chi-restraints excluded: chain n residue 199 ILE Chi-restraints excluded: chain n residue 239 VAL Chi-restraints excluded: chain n residue 245 SER Chi-restraints excluded: chain o residue 48 GLN Chi-restraints excluded: chain o residue 68 ASN Chi-restraints excluded: chain o residue 101 LEU Chi-restraints excluded: chain o residue 123 LYS Chi-restraints excluded: chain o residue 148 THR Chi-restraints excluded: chain o residue 149 THR Chi-restraints excluded: chain o residue 174 THR Chi-restraints excluded: chain o residue 180 VAL Chi-restraints excluded: chain o residue 239 VAL Chi-restraints excluded: chain p residue 92 CYS Chi-restraints excluded: chain p residue 101 LEU Chi-restraints excluded: chain p residue 124 VAL Chi-restraints excluded: chain p residue 149 THR Chi-restraints excluded: chain p residue 170 VAL Chi-restraints excluded: chain p residue 174 THR Chi-restraints excluded: chain p residue 207 LYS Chi-restraints excluded: chain p residue 239 VAL Chi-restraints excluded: chain p residue 263 VAL Chi-restraints excluded: chain q residue 80 MET Chi-restraints excluded: chain q residue 101 LEU Chi-restraints excluded: chain q residue 124 VAL Chi-restraints excluded: chain q residue 148 THR Chi-restraints excluded: chain q residue 149 THR Chi-restraints excluded: chain q residue 199 ILE Chi-restraints excluded: chain q residue 239 VAL Chi-restraints excluded: chain q residue 245 SER Chi-restraints excluded: chain r residue 48 GLN Chi-restraints excluded: chain r residue 68 ASN Chi-restraints excluded: chain r residue 123 LYS Chi-restraints excluded: chain r residue 148 THR Chi-restraints excluded: chain r residue 149 THR Chi-restraints excluded: chain r residue 174 THR Chi-restraints excluded: chain r residue 180 VAL Chi-restraints excluded: chain r residue 239 VAL Chi-restraints excluded: chain r residue 274 SER Chi-restraints excluded: chain s residue 80 MET Chi-restraints excluded: chain s residue 92 CYS Chi-restraints excluded: chain s residue 101 LEU Chi-restraints excluded: chain s residue 124 VAL Chi-restraints excluded: chain s residue 170 VAL Chi-restraints excluded: chain s residue 174 THR Chi-restraints excluded: chain s residue 207 LYS Chi-restraints excluded: chain s residue 239 VAL Chi-restraints excluded: chain s residue 263 VAL Chi-restraints excluded: chain t residue 48 GLN Chi-restraints excluded: chain t residue 101 LEU Chi-restraints excluded: chain t residue 124 VAL Chi-restraints excluded: chain t residue 148 THR Chi-restraints excluded: chain t residue 149 THR Chi-restraints excluded: chain t residue 239 VAL Chi-restraints excluded: chain t residue 263 VAL Chi-restraints excluded: chain t residue 288 ASN Chi-restraints excluded: chain u residue 48 GLN Chi-restraints excluded: chain u residue 92 CYS Chi-restraints excluded: chain u residue 101 LEU Chi-restraints excluded: chain u residue 124 VAL Chi-restraints excluded: chain u residue 148 THR Chi-restraints excluded: chain u residue 149 THR Chi-restraints excluded: chain u residue 239 VAL Chi-restraints excluded: chain u residue 263 VAL Chi-restraints excluded: chain u residue 288 ASN Chi-restraints excluded: chain v residue 48 GLN Chi-restraints excluded: chain v residue 92 CYS Chi-restraints excluded: chain v residue 101 LEU Chi-restraints excluded: chain v residue 124 VAL Chi-restraints excluded: chain v residue 148 THR Chi-restraints excluded: chain v residue 149 THR Chi-restraints excluded: chain v residue 239 VAL Chi-restraints excluded: chain v residue 263 VAL Chi-restraints excluded: chain v residue 288 ASN Chi-restraints excluded: chain w residue 92 CYS Chi-restraints excluded: chain w residue 101 LEU Chi-restraints excluded: chain w residue 124 VAL Chi-restraints excluded: chain w residue 170 VAL Chi-restraints excluded: chain w residue 174 THR Chi-restraints excluded: chain w residue 207 LYS Chi-restraints excluded: chain w residue 239 VAL Chi-restraints excluded: chain w residue 263 VAL Chi-restraints excluded: chain x residue 48 GLN Chi-restraints excluded: chain x residue 68 ASN Chi-restraints excluded: chain x residue 123 LYS Chi-restraints excluded: chain x residue 148 THR Chi-restraints excluded: chain x residue 149 THR Chi-restraints excluded: chain x residue 174 THR Chi-restraints excluded: chain x residue 180 VAL Chi-restraints excluded: chain x residue 236 ASN Chi-restraints excluded: chain x residue 239 VAL Chi-restraints excluded: chain x residue 274 SER Chi-restraints excluded: chain y residue 48 GLN Chi-restraints excluded: chain y residue 68 ASN Chi-restraints excluded: chain y residue 80 MET Chi-restraints excluded: chain y residue 92 CYS Chi-restraints excluded: chain y residue 124 VAL Chi-restraints excluded: chain y residue 149 THR Chi-restraints excluded: chain y residue 239 VAL Chi-restraints excluded: chain y residue 263 VAL Chi-restraints excluded: chain z residue 48 GLN Chi-restraints excluded: chain z residue 68 ASN Chi-restraints excluded: chain z residue 80 MET Chi-restraints excluded: chain z residue 92 CYS Chi-restraints excluded: chain z residue 124 VAL Chi-restraints excluded: chain z residue 149 THR Chi-restraints excluded: chain z residue 239 VAL Chi-restraints excluded: chain z residue 263 VAL Chi-restraints excluded: chain 7 residue 48 GLN Chi-restraints excluded: chain 7 residue 68 ASN Chi-restraints excluded: chain 7 residue 80 MET Chi-restraints excluded: chain 7 residue 92 CYS Chi-restraints excluded: chain 7 residue 124 VAL Chi-restraints excluded: chain 7 residue 149 THR Chi-restraints excluded: chain 7 residue 221 SER Chi-restraints excluded: chain 7 residue 239 VAL Chi-restraints excluded: chain 7 residue 263 VAL Chi-restraints excluded: chain 8 residue 80 MET Chi-restraints excluded: chain 8 residue 92 CYS Chi-restraints excluded: chain 8 residue 124 VAL Chi-restraints excluded: chain 8 residue 135 SER Chi-restraints excluded: chain 8 residue 148 THR Chi-restraints excluded: chain 8 residue 149 THR Chi-restraints excluded: chain 8 residue 199 ILE Chi-restraints excluded: chain 8 residue 239 VAL Chi-restraints excluded: chain 8 residue 245 SER Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1860 random chunks: chunk 904 optimal weight: 3.9990 chunk 1172 optimal weight: 3.9990 chunk 1571 optimal weight: 6.9990 chunk 452 optimal weight: 4.9990 chunk 1360 optimal weight: 4.9990 chunk 217 optimal weight: 3.9990 chunk 410 optimal weight: 0.9990 chunk 1477 optimal weight: 5.9990 chunk 618 optimal weight: 0.0570 chunk 1517 optimal weight: 3.9990 chunk 187 optimal weight: 5.9990 overall best weight: 2.6106 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 152 ASN ** A 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 312 ASN A 317 ASN A 328 GLN B 152 ASN ** B 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 317 ASN C 152 ASN ** C 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 152 ASN D 213 GLN D 328 GLN E 152 ASN ** E 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 152 ASN ** F 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 312 ASN F 317 ASN F 328 GLN G 152 ASN ** G 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 152 ASN ** H 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 213 GLN H 284 GLN H 328 GLN I 152 ASN ** I 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 152 ASN ** J 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 317 ASN K 152 ASN ** K 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 130 ASN L 152 ASN ** L 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 317 ASN M 152 ASN M 213 GLN ** M 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 152 ASN ** N 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** N 213 GLN N 328 GLN O 152 ASN ** O 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 152 ASN P 213 GLN P 317 ASN P 328 GLN Q 152 ASN ** Q 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 152 ASN ** R 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** R 236 ASN R 317 ASN S 152 ASN ** S 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** S 317 ASN T 152 ASN ** T 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** T 197 ASN ** T 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 130 ASN U 152 ASN ** U 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** U 317 ASN V 152 ASN ** V 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 152 ASN ** W 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** W 213 GLN W 317 ASN W 328 GLN X 152 ASN ** X 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 152 ASN ** Y 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 328 GLN Z 152 ASN ** Z 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 152 ASN ** 1 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 312 ASN 1 317 ASN 1 328 GLN 2 152 ASN ** 2 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 312 ASN 2 317 ASN 2 328 GLN 3 152 ASN ** 3 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 317 ASN 3 328 GLN 4 152 ASN ** 4 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 312 ASN 4 317 ASN 4 328 GLN 5 152 ASN ** 5 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 317 ASN 5 328 GLN 6 152 ASN ** 6 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 312 ASN 6 317 ASN 6 328 GLN a 152 ASN ** a 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 152 ASN ** b 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 152 ASN ** c 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** c 213 GLN c 317 ASN c 328 GLN d 152 ASN ** d 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** d 213 GLN d 328 GLN e 152 ASN e 213 GLN ** e 290 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 317 ASN e 328 GLN f 152 ASN ** f 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 152 ASN ** g 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** g 197 ASN ** g 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 152 ASN ** h 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 312 ASN h 317 ASN h 328 GLN i 152 ASN ** i 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 152 ASN ** j 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 152 ASN ** k 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** k 317 ASN l 152 ASN ** l 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** l 317 ASN m 130 ASN m 152 ASN ** m 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** m 317 ASN n 152 ASN ** n 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 152 ASN ** o 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 152 ASN ** p 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 312 ASN p 317 ASN p 328 GLN q 152 ASN ** q 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 284 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 152 ASN ** r 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 152 ASN ** s 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 312 ASN s 317 ASN s 328 GLN t 130 ASN t 152 ASN ** t 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** t 317 ASN u 152 ASN ** u 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** u 317 ASN v 152 ASN ** v 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** v 317 ASN w 152 ASN ** w 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 312 ASN w 317 ASN w 328 GLN x 152 ASN ** x 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 152 ASN ** y 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** y 213 GLN y 328 GLN z 152 ASN ** z 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** z 213 GLN z 312 ASN z 328 GLN 7 152 ASN ** 7 213 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 328 GLN 8 152 ASN ** 8 243 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 142 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3084 r_free = 0.3084 target = 0.109836 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 40)----------------| | r_work = 0.2879 r_free = 0.2879 target = 0.095351 restraints weight = 165436.261| |-----------------------------------------------------------------------------| r_work (start): 0.2879 rms_B_bonded: 1.19 r_work: 0.2790 rms_B_bonded: 1.44 restraints_weight: 0.5000 r_work: 0.2672 rms_B_bonded: 2.45 restraints_weight: 0.2500 r_work (final): 0.2672 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8616 moved from start: 0.2990 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.108 155760 Z= 0.316 Angle : 0.653 59.200 211920 Z= 0.360 Chirality : 0.049 0.326 23220 Planarity : 0.004 0.042 27240 Dihedral : 6.319 58.038 20640 Min Nonbonded Distance : 2.075 Molprobity Statistics. All-atom Clashscore : 13.56 Ramachandran Plot: Outliers : 0.06 % Allowed : 6.50 % Favored : 93.44 % Rotamer: Outliers : 3.65 % Allowed : 16.96 % Favored : 79.39 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.14 (0.06), residues: 18780 helix: -2.23 (0.14), residues: 1200 sheet: -0.46 (0.07), residues: 6180 loop : -0.70 (0.06), residues: 11400 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.013 0.001 TRP g 211 HIS 0.006 0.001 HIS P 159 PHE 0.022 0.002 PHE i 285 TYR 0.016 0.002 TYR R 110 ARG 0.009 0.001 ARG D 61 =============================================================================== Job complete usr+sys time: 111517.11 seconds wall clock time: 1915 minutes 9.63 seconds (114909.63 seconds total)