Starting phenix.real_space_refine on Fri Mar 15 13:55:37 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7lii_23379/03_2024/7lii_23379_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7lii_23379/03_2024/7lii_23379.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=3.55 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7lii_23379/03_2024/7lii_23379.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7lii_23379/03_2024/7lii_23379.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7lii_23379/03_2024/7lii_23379_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7lii_23379/03_2024/7lii_23379_updated.pdb" } resolution = 3.55 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 Origin is already at (0, 0, 0), no shifts will be applied ------------------------------------------------------------------------------- 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= 0.009 sd= 0.056 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 240 5.16 5 C 81540 2.51 5 N 21180 2.21 5 O 24360 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 25": "OE1" <-> "OE2" Residue "A TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 38": "OD1" <-> "OD2" Residue "A GLU 46": "OE1" <-> "OE2" Residue "A TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 85": "OD1" <-> "OD2" Residue "A ASP 90": "OD1" <-> "OD2" Residue "A ASP 100": "OD1" <-> "OD2" Residue "A GLU 105": "OE1" <-> "OE2" Residue "A PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 186": "NH1" <-> "NH2" Residue "A ASP 204": "OD1" <-> "OD2" Residue "A GLU 210": "OE1" <-> "OE2" Residue "A TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 25": "OE1" <-> "OE2" Residue "B TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ASP 38": "OD1" <-> "OD2" Residue "B GLU 46": "OE1" <-> "OE2" Residue "B TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ASP 85": "OD1" <-> "OD2" Residue "B ASP 90": "OD1" <-> "OD2" Residue "B ASP 100": "OD1" <-> "OD2" Residue "B GLU 105": "OE1" <-> "OE2" Residue "B PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ARG 186": "NH1" <-> "NH2" Residue "B ASP 204": "OD1" <-> "OD2" Residue "B GLU 210": "OE1" <-> "OE2" Residue "B TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 25": "OE1" <-> "OE2" Residue "C TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 38": "OD1" <-> "OD2" Residue "C GLU 46": "OE1" <-> "OE2" Residue "C TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 85": "OD1" <-> "OD2" Residue "C ASP 90": "OD1" <-> "OD2" Residue "C ASP 100": "OD1" <-> "OD2" Residue "C GLU 105": "OE1" <-> "OE2" Residue "C PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ARG 186": "NH1" <-> "NH2" Residue "C ASP 204": "OD1" <-> "OD2" Residue "C GLU 210": "OE1" <-> "OE2" Residue "C TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 25": "OE1" <-> "OE2" Residue "D TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 38": "OD1" <-> "OD2" Residue "D GLU 46": "OE1" <-> "OE2" Residue "D TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 85": "OD1" <-> "OD2" Residue "D ASP 90": "OD1" <-> "OD2" Residue "D ASP 100": "OD1" <-> "OD2" Residue "D GLU 105": "OE1" <-> "OE2" Residue "D PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ARG 186": "NH1" <-> "NH2" Residue "D ASP 204": "OD1" <-> "OD2" Residue "D GLU 210": "OE1" <-> "OE2" Residue "D TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 25": "OE1" <-> "OE2" Residue "E TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ASP 38": "OD1" <-> "OD2" Residue "E GLU 46": "OE1" <-> "OE2" Residue "E TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ASP 85": "OD1" <-> "OD2" Residue "E ASP 90": "OD1" <-> "OD2" Residue "E ASP 100": "OD1" <-> "OD2" Residue "E GLU 105": "OE1" <-> "OE2" Residue "E PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ARG 186": "NH1" <-> "NH2" Residue "E ASP 204": "OD1" <-> "OD2" Residue "E GLU 210": "OE1" <-> "OE2" Residue "E TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F GLU 25": "OE1" <-> "OE2" Residue "F TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ASP 38": "OD1" <-> "OD2" Residue "F GLU 46": "OE1" <-> "OE2" Residue "F TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ASP 85": "OD1" <-> "OD2" Residue "F ASP 90": "OD1" <-> "OD2" Residue "F ASP 100": "OD1" <-> "OD2" Residue "F GLU 105": "OE1" <-> "OE2" Residue "F PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ARG 186": "NH1" <-> "NH2" Residue "F ASP 204": "OD1" <-> "OD2" Residue "F GLU 210": "OE1" <-> "OE2" Residue "F TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 25": "OE1" <-> "OE2" Residue "G TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 38": "OD1" <-> "OD2" Residue "G GLU 46": "OE1" <-> "OE2" Residue "G TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 85": "OD1" <-> "OD2" Residue "G ASP 90": "OD1" <-> "OD2" Residue "G ASP 100": "OD1" <-> "OD2" Residue "G GLU 105": "OE1" <-> "OE2" Residue "G PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 186": "NH1" <-> "NH2" Residue "G ASP 204": "OD1" <-> "OD2" Residue "G GLU 210": "OE1" <-> "OE2" Residue "G TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H GLU 25": "OE1" <-> "OE2" Residue "H TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H ASP 38": "OD1" <-> "OD2" Residue "H GLU 46": "OE1" <-> "OE2" Residue "H TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H ASP 85": "OD1" <-> "OD2" Residue "H ASP 90": "OD1" <-> "OD2" Residue "H ASP 100": "OD1" <-> "OD2" Residue "H GLU 105": "OE1" <-> "OE2" Residue "H PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H ARG 186": "NH1" <-> "NH2" Residue "H ASP 204": "OD1" <-> "OD2" Residue "H GLU 210": "OE1" <-> "OE2" Residue "H TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I GLU 25": "OE1" <-> "OE2" Residue "I TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ASP 38": "OD1" <-> "OD2" Residue "I GLU 46": "OE1" <-> "OE2" Residue "I TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ASP 85": "OD1" <-> "OD2" Residue "I ASP 90": "OD1" <-> "OD2" Residue "I ASP 100": "OD1" <-> "OD2" Residue "I GLU 105": "OE1" <-> "OE2" Residue "I PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ARG 186": "NH1" <-> "NH2" Residue "I ASP 204": "OD1" <-> "OD2" Residue "I GLU 210": "OE1" <-> "OE2" Residue "I TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J GLU 25": "OE1" <-> "OE2" Residue "J TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 38": "OD1" <-> "OD2" Residue "J GLU 46": "OE1" <-> "OE2" Residue "J TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 85": "OD1" <-> "OD2" Residue "J ASP 90": "OD1" <-> "OD2" Residue "J ASP 100": "OD1" <-> "OD2" Residue "J GLU 105": "OE1" <-> "OE2" Residue "J PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ARG 186": "NH1" <-> "NH2" Residue "J ASP 204": "OD1" <-> "OD2" Residue "J GLU 210": "OE1" <-> "OE2" Residue "J TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K GLU 25": "OE1" <-> "OE2" Residue "K TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ASP 38": "OD1" <-> "OD2" Residue "K GLU 46": "OE1" <-> "OE2" Residue "K TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ASP 85": "OD1" <-> "OD2" Residue "K ASP 90": "OD1" <-> "OD2" Residue "K ASP 100": "OD1" <-> "OD2" Residue "K GLU 105": "OE1" <-> "OE2" Residue "K PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ARG 186": "NH1" <-> "NH2" Residue "K ASP 204": "OD1" <-> "OD2" Residue "K GLU 210": "OE1" <-> "OE2" Residue "K TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L GLU 25": "OE1" <-> "OE2" Residue "L TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ASP 38": "OD1" <-> "OD2" Residue "L GLU 46": "OE1" <-> "OE2" Residue "L TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ASP 85": "OD1" <-> "OD2" Residue "L ASP 90": "OD1" <-> "OD2" Residue "L ASP 100": "OD1" <-> "OD2" Residue "L GLU 105": "OE1" <-> "OE2" Residue "L PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ARG 186": "NH1" <-> "NH2" Residue "L ASP 204": "OD1" <-> "OD2" Residue "L GLU 210": "OE1" <-> "OE2" Residue "L TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M GLU 25": "OE1" <-> "OE2" Residue "M TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ASP 38": "OD1" <-> "OD2" Residue "M GLU 46": "OE1" <-> "OE2" Residue "M TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ASP 85": "OD1" <-> "OD2" Residue "M ASP 90": "OD1" <-> "OD2" Residue "M ASP 100": "OD1" <-> "OD2" Residue "M GLU 105": "OE1" <-> "OE2" Residue "M PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ARG 186": "NH1" <-> "NH2" Residue "M ASP 204": "OD1" <-> "OD2" Residue "M GLU 210": "OE1" <-> "OE2" Residue "M TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N GLU 25": "OE1" <-> "OE2" Residue "N TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ASP 38": "OD1" <-> "OD2" Residue "N GLU 46": "OE1" <-> "OE2" Residue "N TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ASP 85": "OD1" <-> "OD2" Residue "N ASP 90": "OD1" <-> "OD2" Residue "N ASP 100": "OD1" <-> "OD2" Residue "N GLU 105": "OE1" <-> "OE2" Residue "N PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ARG 186": "NH1" <-> "NH2" Residue "N ASP 204": "OD1" <-> "OD2" Residue "N GLU 210": "OE1" <-> "OE2" Residue "N TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O GLU 25": "OE1" <-> "OE2" Residue "O TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ASP 38": "OD1" <-> "OD2" Residue "O GLU 46": "OE1" <-> "OE2" Residue "O TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ASP 85": "OD1" <-> "OD2" Residue "O ASP 90": "OD1" <-> "OD2" Residue "O ASP 100": "OD1" <-> "OD2" Residue "O GLU 105": "OE1" <-> "OE2" Residue "O PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ARG 186": "NH1" <-> "NH2" Residue "O ASP 204": "OD1" <-> "OD2" Residue "O GLU 210": "OE1" <-> "OE2" Residue "O TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P GLU 25": "OE1" <-> "OE2" Residue "P TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ASP 38": "OD1" <-> "OD2" Residue "P GLU 46": "OE1" <-> "OE2" Residue "P TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ASP 85": "OD1" <-> "OD2" Residue "P ASP 90": "OD1" <-> "OD2" Residue "P ASP 100": "OD1" <-> "OD2" Residue "P GLU 105": "OE1" <-> "OE2" Residue "P PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ARG 186": "NH1" <-> "NH2" Residue "P ASP 204": "OD1" <-> "OD2" Residue "P GLU 210": "OE1" <-> "OE2" Residue "P TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q GLU 25": "OE1" <-> "OE2" Residue "Q TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q ASP 38": "OD1" <-> "OD2" Residue "Q GLU 46": "OE1" <-> "OE2" Residue "Q TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q ASP 85": "OD1" <-> "OD2" Residue "Q ASP 90": "OD1" <-> "OD2" Residue "Q ASP 100": "OD1" <-> "OD2" Residue "Q GLU 105": "OE1" <-> "OE2" Residue "Q PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q ARG 186": "NH1" <-> "NH2" Residue "Q ASP 204": "OD1" <-> "OD2" Residue "Q GLU 210": "OE1" <-> "OE2" Residue "Q TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R GLU 25": "OE1" <-> "OE2" Residue "R TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R ASP 38": "OD1" <-> "OD2" Residue "R GLU 46": "OE1" <-> "OE2" Residue "R TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R ASP 85": "OD1" <-> "OD2" Residue "R ASP 90": "OD1" <-> "OD2" Residue "R ASP 100": "OD1" <-> "OD2" Residue "R GLU 105": "OE1" <-> "OE2" Residue "R PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R ARG 186": "NH1" <-> "NH2" Residue "R ASP 204": "OD1" <-> "OD2" Residue "R GLU 210": "OE1" <-> "OE2" Residue "R TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S GLU 25": "OE1" <-> "OE2" Residue "S TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S ASP 38": "OD1" <-> "OD2" Residue "S GLU 46": "OE1" <-> "OE2" Residue "S TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S ASP 85": "OD1" <-> "OD2" Residue "S ASP 90": "OD1" <-> "OD2" Residue "S ASP 100": "OD1" <-> "OD2" Residue "S GLU 105": "OE1" <-> "OE2" Residue "S PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S ARG 186": "NH1" <-> "NH2" Residue "S ASP 204": "OD1" <-> "OD2" Residue "S GLU 210": "OE1" <-> "OE2" Residue "S TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T GLU 25": "OE1" <-> "OE2" Residue "T TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T ASP 38": "OD1" <-> "OD2" Residue "T GLU 46": "OE1" <-> "OE2" Residue "T TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T ASP 85": "OD1" <-> "OD2" Residue "T ASP 90": "OD1" <-> "OD2" Residue "T ASP 100": "OD1" <-> "OD2" Residue "T GLU 105": "OE1" <-> "OE2" Residue "T PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T ARG 186": "NH1" <-> "NH2" Residue "T ASP 204": "OD1" <-> "OD2" Residue "T GLU 210": "OE1" <-> "OE2" Residue "T TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U GLU 25": "OE1" <-> "OE2" Residue "U TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U ASP 38": "OD1" <-> "OD2" Residue "U GLU 46": "OE1" <-> "OE2" Residue "U TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U ASP 85": "OD1" <-> "OD2" Residue "U ASP 90": "OD1" <-> "OD2" Residue "U ASP 100": "OD1" <-> "OD2" Residue "U GLU 105": "OE1" <-> "OE2" Residue "U PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U ARG 186": "NH1" <-> "NH2" Residue "U ASP 204": "OD1" <-> "OD2" Residue "U GLU 210": "OE1" <-> "OE2" Residue "U TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V GLU 25": "OE1" <-> "OE2" Residue "V TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V ASP 38": "OD1" <-> "OD2" Residue "V GLU 46": "OE1" <-> "OE2" Residue "V TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V ASP 85": "OD1" <-> "OD2" Residue "V ASP 90": "OD1" <-> "OD2" Residue "V ASP 100": "OD1" <-> "OD2" Residue "V GLU 105": "OE1" <-> "OE2" Residue "V PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V ARG 186": "NH1" <-> "NH2" Residue "V ASP 204": "OD1" <-> "OD2" Residue "V GLU 210": "OE1" <-> "OE2" Residue "V TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W GLU 25": "OE1" <-> "OE2" Residue "W TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W ASP 38": "OD1" <-> "OD2" Residue "W GLU 46": "OE1" <-> "OE2" Residue "W TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W ASP 85": "OD1" <-> "OD2" Residue "W ASP 90": "OD1" <-> "OD2" Residue "W ASP 100": "OD1" <-> "OD2" Residue "W GLU 105": "OE1" <-> "OE2" Residue "W PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W ARG 186": "NH1" <-> "NH2" Residue "W ASP 204": "OD1" <-> "OD2" Residue "W GLU 210": "OE1" <-> "OE2" Residue "W TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X GLU 25": "OE1" <-> "OE2" Residue "X TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X ASP 38": "OD1" <-> "OD2" Residue "X GLU 46": "OE1" <-> "OE2" Residue "X TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X ASP 85": "OD1" <-> "OD2" Residue "X ASP 90": "OD1" <-> "OD2" Residue "X ASP 100": "OD1" <-> "OD2" Residue "X GLU 105": "OE1" <-> "OE2" Residue "X PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X ARG 186": "NH1" <-> "NH2" Residue "X ASP 204": "OD1" <-> "OD2" Residue "X GLU 210": "OE1" <-> "OE2" Residue "X TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y GLU 25": "OE1" <-> "OE2" Residue "Y TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y ASP 38": "OD1" <-> "OD2" Residue "Y GLU 46": "OE1" <-> "OE2" Residue "Y TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y ASP 85": "OD1" <-> "OD2" Residue "Y ASP 90": "OD1" <-> "OD2" Residue "Y ASP 100": "OD1" <-> "OD2" Residue "Y GLU 105": "OE1" <-> "OE2" Residue "Y PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y ARG 186": "NH1" <-> "NH2" Residue "Y ASP 204": "OD1" <-> "OD2" Residue "Y GLU 210": "OE1" <-> "OE2" Residue "Y TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z GLU 25": "OE1" <-> "OE2" Residue "Z TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z ASP 38": "OD1" <-> "OD2" Residue "Z GLU 46": "OE1" <-> "OE2" Residue "Z TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z ASP 85": "OD1" <-> "OD2" Residue "Z ASP 90": "OD1" <-> "OD2" Residue "Z ASP 100": "OD1" <-> "OD2" Residue "Z GLU 105": "OE1" <-> "OE2" Residue "Z PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z ARG 186": "NH1" <-> "NH2" Residue "Z ASP 204": "OD1" <-> "OD2" Residue "Z GLU 210": "OE1" <-> "OE2" Residue "Z TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 GLU 25": "OE1" <-> "OE2" Residue "0 TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 ASP 38": "OD1" <-> "OD2" Residue "0 GLU 46": "OE1" <-> "OE2" Residue "0 TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 ASP 85": "OD1" <-> "OD2" Residue "0 ASP 90": "OD1" <-> "OD2" Residue "0 ASP 100": "OD1" <-> "OD2" Residue "0 GLU 105": "OE1" <-> "OE2" Residue "0 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 ARG 186": "NH1" <-> "NH2" Residue "0 ASP 204": "OD1" <-> "OD2" Residue "0 GLU 210": "OE1" <-> "OE2" Residue "0 TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 GLU 25": "OE1" <-> "OE2" Residue "1 TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ASP 38": "OD1" <-> "OD2" Residue "1 GLU 46": "OE1" <-> "OE2" Residue "1 TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ASP 85": "OD1" <-> "OD2" Residue "1 ASP 90": "OD1" <-> "OD2" Residue "1 ASP 100": "OD1" <-> "OD2" Residue "1 GLU 105": "OE1" <-> "OE2" Residue "1 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ARG 186": "NH1" <-> "NH2" Residue "1 ASP 204": "OD1" <-> "OD2" Residue "1 GLU 210": "OE1" <-> "OE2" Residue "1 TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 GLU 25": "OE1" <-> "OE2" Residue "2 TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 ASP 38": "OD1" <-> "OD2" Residue "2 GLU 46": "OE1" <-> "OE2" Residue "2 TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 ASP 85": "OD1" <-> "OD2" Residue "2 ASP 90": "OD1" <-> "OD2" Residue "2 ASP 100": "OD1" <-> "OD2" Residue "2 GLU 105": "OE1" <-> "OE2" Residue "2 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 ARG 186": "NH1" <-> "NH2" Residue "2 ASP 204": "OD1" <-> "OD2" Residue "2 GLU 210": "OE1" <-> "OE2" Residue "2 TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 GLU 25": "OE1" <-> "OE2" Residue "3 TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ASP 38": "OD1" <-> "OD2" Residue "3 GLU 46": "OE1" <-> "OE2" Residue "3 TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ASP 85": "OD1" <-> "OD2" Residue "3 ASP 90": "OD1" <-> "OD2" Residue "3 ASP 100": "OD1" <-> "OD2" Residue "3 GLU 105": "OE1" <-> "OE2" Residue "3 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ARG 186": "NH1" <-> "NH2" Residue "3 ASP 204": "OD1" <-> "OD2" Residue "3 GLU 210": "OE1" <-> "OE2" Residue "3 TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 GLU 25": "OE1" <-> "OE2" Residue "4 TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 ASP 38": "OD1" <-> "OD2" Residue "4 GLU 46": "OE1" <-> "OE2" Residue "4 TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 ASP 85": "OD1" <-> "OD2" Residue "4 ASP 90": "OD1" <-> "OD2" Residue "4 ASP 100": "OD1" <-> "OD2" Residue "4 GLU 105": "OE1" <-> "OE2" Residue "4 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 ARG 186": "NH1" <-> "NH2" Residue "4 ASP 204": "OD1" <-> "OD2" Residue "4 GLU 210": "OE1" <-> "OE2" Residue "4 TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 GLU 25": "OE1" <-> "OE2" Residue "5 TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 ASP 38": "OD1" <-> "OD2" Residue "5 GLU 46": "OE1" <-> "OE2" Residue "5 TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 ASP 85": "OD1" <-> "OD2" Residue "5 ASP 90": "OD1" <-> "OD2" Residue "5 ASP 100": "OD1" <-> "OD2" Residue "5 GLU 105": "OE1" <-> "OE2" Residue "5 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 ARG 186": "NH1" <-> "NH2" Residue "5 ASP 204": "OD1" <-> "OD2" Residue "5 GLU 210": "OE1" <-> "OE2" Residue "5 TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 GLU 25": "OE1" <-> "OE2" Residue "6 TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 ASP 38": "OD1" <-> "OD2" Residue "6 GLU 46": "OE1" <-> "OE2" Residue "6 TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 ASP 85": "OD1" <-> "OD2" Residue "6 ASP 90": "OD1" <-> "OD2" Residue "6 ASP 100": "OD1" <-> "OD2" Residue "6 GLU 105": "OE1" <-> "OE2" Residue "6 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 ARG 186": "NH1" <-> "NH2" Residue "6 ASP 204": "OD1" <-> "OD2" Residue "6 GLU 210": "OE1" <-> "OE2" Residue "6 TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 GLU 25": "OE1" <-> "OE2" Residue "7 TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 ASP 38": "OD1" <-> "OD2" Residue "7 GLU 46": "OE1" <-> "OE2" Residue "7 TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 ASP 85": "OD1" <-> "OD2" Residue "7 ASP 90": "OD1" <-> "OD2" Residue "7 ASP 100": "OD1" <-> "OD2" Residue "7 GLU 105": "OE1" <-> "OE2" Residue "7 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 ARG 186": "NH1" <-> "NH2" Residue "7 ASP 204": "OD1" <-> "OD2" Residue "7 GLU 210": "OE1" <-> "OE2" Residue "7 TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 GLU 25": "OE1" <-> "OE2" Residue "8 TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 ASP 38": "OD1" <-> "OD2" Residue "8 GLU 46": "OE1" <-> "OE2" Residue "8 TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 ASP 85": "OD1" <-> "OD2" Residue "8 ASP 90": "OD1" <-> "OD2" Residue "8 ASP 100": "OD1" <-> "OD2" Residue "8 GLU 105": "OE1" <-> "OE2" Residue "8 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 ARG 186": "NH1" <-> "NH2" Residue "8 ASP 204": "OD1" <-> "OD2" Residue "8 GLU 210": "OE1" <-> "OE2" Residue "8 TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 GLU 25": "OE1" <-> "OE2" Residue "9 TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 ASP 38": "OD1" <-> "OD2" Residue "9 GLU 46": "OE1" <-> "OE2" Residue "9 TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 ASP 85": "OD1" <-> "OD2" Residue "9 ASP 90": "OD1" <-> "OD2" Residue "9 ASP 100": "OD1" <-> "OD2" Residue "9 GLU 105": "OE1" <-> "OE2" Residue "9 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 ARG 186": "NH1" <-> "NH2" Residue "9 ASP 204": "OD1" <-> "OD2" Residue "9 GLU 210": "OE1" <-> "OE2" Residue "9 TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a GLU 25": "OE1" <-> "OE2" Residue "a TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a ASP 38": "OD1" <-> "OD2" Residue "a GLU 46": "OE1" <-> "OE2" Residue "a TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a ASP 85": "OD1" <-> "OD2" Residue "a ASP 90": "OD1" <-> "OD2" Residue "a ASP 100": "OD1" <-> "OD2" Residue "a GLU 105": "OE1" <-> "OE2" Residue "a PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a ARG 186": "NH1" <-> "NH2" Residue "a ASP 204": "OD1" <-> "OD2" Residue "a GLU 210": "OE1" <-> "OE2" Residue "a TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b GLU 25": "OE1" <-> "OE2" Residue "b TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b ASP 38": "OD1" <-> "OD2" Residue "b GLU 46": "OE1" <-> "OE2" Residue "b TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b ASP 85": "OD1" <-> "OD2" Residue "b ASP 90": "OD1" <-> "OD2" Residue "b ASP 100": "OD1" <-> "OD2" Residue "b GLU 105": "OE1" <-> "OE2" Residue "b PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b ARG 186": "NH1" <-> "NH2" Residue "b ASP 204": "OD1" <-> "OD2" Residue "b GLU 210": "OE1" <-> "OE2" Residue "b TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c GLU 25": "OE1" <-> "OE2" Residue "c TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c ASP 38": "OD1" <-> "OD2" Residue "c GLU 46": "OE1" <-> "OE2" Residue "c TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c ASP 85": "OD1" <-> "OD2" Residue "c ASP 90": "OD1" <-> "OD2" Residue "c ASP 100": "OD1" <-> "OD2" Residue "c GLU 105": "OE1" <-> "OE2" Residue "c PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c ARG 186": "NH1" <-> "NH2" Residue "c ASP 204": "OD1" <-> "OD2" Residue "c GLU 210": "OE1" <-> "OE2" Residue "c TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d GLU 25": "OE1" <-> "OE2" Residue "d TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d ASP 38": "OD1" <-> "OD2" Residue "d GLU 46": "OE1" <-> "OE2" Residue "d TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d ASP 85": "OD1" <-> "OD2" Residue "d ASP 90": "OD1" <-> "OD2" Residue "d ASP 100": "OD1" <-> "OD2" Residue "d GLU 105": "OE1" <-> "OE2" Residue "d PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d ARG 186": "NH1" <-> "NH2" Residue "d ASP 204": "OD1" <-> "OD2" Residue "d GLU 210": "OE1" <-> "OE2" Residue "d TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e GLU 25": "OE1" <-> "OE2" Residue "e TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e ASP 38": "OD1" <-> "OD2" Residue "e GLU 46": "OE1" <-> "OE2" Residue "e TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e ASP 85": "OD1" <-> "OD2" Residue "e ASP 90": "OD1" <-> "OD2" Residue "e ASP 100": "OD1" <-> "OD2" Residue "e GLU 105": "OE1" <-> "OE2" Residue "e PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e ARG 186": "NH1" <-> "NH2" Residue "e ASP 204": "OD1" <-> "OD2" Residue "e GLU 210": "OE1" <-> "OE2" Residue "e TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f GLU 25": "OE1" <-> "OE2" Residue "f TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f ASP 38": "OD1" <-> "OD2" Residue "f GLU 46": "OE1" <-> "OE2" Residue "f TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f ASP 85": "OD1" <-> "OD2" Residue "f ASP 90": "OD1" <-> "OD2" Residue "f ASP 100": "OD1" <-> "OD2" Residue "f GLU 105": "OE1" <-> "OE2" Residue "f PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f ARG 186": "NH1" <-> "NH2" Residue "f ASP 204": "OD1" <-> "OD2" Residue "f GLU 210": "OE1" <-> "OE2" Residue "f TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g GLU 25": "OE1" <-> "OE2" Residue "g TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g ASP 38": "OD1" <-> "OD2" Residue "g GLU 46": "OE1" <-> "OE2" Residue "g TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g ASP 85": "OD1" <-> "OD2" Residue "g ASP 90": "OD1" <-> "OD2" Residue "g ASP 100": "OD1" <-> "OD2" Residue "g GLU 105": "OE1" <-> "OE2" Residue "g PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g ARG 186": "NH1" <-> "NH2" Residue "g ASP 204": "OD1" <-> "OD2" Residue "g GLU 210": "OE1" <-> "OE2" Residue "g TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h GLU 25": "OE1" <-> "OE2" Residue "h TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h ASP 38": "OD1" <-> "OD2" Residue "h GLU 46": "OE1" <-> "OE2" Residue "h TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h ASP 85": "OD1" <-> "OD2" Residue "h ASP 90": "OD1" <-> "OD2" Residue "h ASP 100": "OD1" <-> "OD2" Residue "h GLU 105": "OE1" <-> "OE2" Residue "h PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h ARG 186": "NH1" <-> "NH2" Residue "h ASP 204": "OD1" <-> "OD2" Residue "h GLU 210": "OE1" <-> "OE2" Residue "h TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i GLU 25": "OE1" <-> "OE2" Residue "i TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i ASP 38": "OD1" <-> "OD2" Residue "i GLU 46": "OE1" <-> "OE2" Residue "i TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i ASP 85": "OD1" <-> "OD2" Residue "i ASP 90": "OD1" <-> "OD2" Residue "i ASP 100": "OD1" <-> "OD2" Residue "i GLU 105": "OE1" <-> "OE2" Residue "i PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i ARG 186": "NH1" <-> "NH2" Residue "i ASP 204": "OD1" <-> "OD2" Residue "i GLU 210": "OE1" <-> "OE2" Residue "i TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j GLU 25": "OE1" <-> "OE2" Residue "j TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j ASP 38": "OD1" <-> "OD2" Residue "j GLU 46": "OE1" <-> "OE2" Residue "j TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j ASP 85": "OD1" <-> "OD2" Residue "j ASP 90": "OD1" <-> "OD2" Residue "j ASP 100": "OD1" <-> "OD2" Residue "j GLU 105": "OE1" <-> "OE2" Residue "j PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j ARG 186": "NH1" <-> "NH2" Residue "j ASP 204": "OD1" <-> "OD2" Residue "j GLU 210": "OE1" <-> "OE2" Residue "j TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k GLU 25": "OE1" <-> "OE2" Residue "k TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k ASP 38": "OD1" <-> "OD2" Residue "k GLU 46": "OE1" <-> "OE2" Residue "k TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k ASP 85": "OD1" <-> "OD2" Residue "k ASP 90": "OD1" <-> "OD2" Residue "k ASP 100": "OD1" <-> "OD2" Residue "k GLU 105": "OE1" <-> "OE2" Residue "k PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k ARG 186": "NH1" <-> "NH2" Residue "k ASP 204": "OD1" <-> "OD2" Residue "k GLU 210": "OE1" <-> "OE2" Residue "k TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l GLU 25": "OE1" <-> "OE2" Residue "l TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l ASP 38": "OD1" <-> "OD2" Residue "l GLU 46": "OE1" <-> "OE2" Residue "l TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l ASP 85": "OD1" <-> "OD2" Residue "l ASP 90": "OD1" <-> "OD2" Residue "l ASP 100": "OD1" <-> "OD2" Residue "l GLU 105": "OE1" <-> "OE2" Residue "l PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l ARG 186": "NH1" <-> "NH2" Residue "l ASP 204": "OD1" <-> "OD2" Residue "l GLU 210": "OE1" <-> "OE2" Residue "l TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m GLU 25": "OE1" <-> "OE2" Residue "m TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m ASP 38": "OD1" <-> "OD2" Residue "m GLU 46": "OE1" <-> "OE2" Residue "m TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m ASP 85": "OD1" <-> "OD2" Residue "m ASP 90": "OD1" <-> "OD2" Residue "m ASP 100": "OD1" <-> "OD2" Residue "m GLU 105": "OE1" <-> "OE2" Residue "m PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m ARG 186": "NH1" <-> "NH2" Residue "m ASP 204": "OD1" <-> "OD2" Residue "m GLU 210": "OE1" <-> "OE2" Residue "m TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n GLU 25": "OE1" <-> "OE2" Residue "n TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n ASP 38": "OD1" <-> "OD2" Residue "n GLU 46": "OE1" <-> "OE2" Residue "n TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n ASP 85": "OD1" <-> "OD2" Residue "n ASP 90": "OD1" <-> "OD2" Residue "n ASP 100": "OD1" <-> "OD2" Residue "n GLU 105": "OE1" <-> "OE2" Residue "n PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n ARG 186": "NH1" <-> "NH2" Residue "n ASP 204": "OD1" <-> "OD2" Residue "n GLU 210": "OE1" <-> "OE2" Residue "n TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o GLU 25": "OE1" <-> "OE2" Residue "o TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o ASP 38": "OD1" <-> "OD2" Residue "o GLU 46": "OE1" <-> "OE2" Residue "o TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o ASP 85": "OD1" <-> "OD2" Residue "o ASP 90": "OD1" <-> "OD2" Residue "o ASP 100": "OD1" <-> "OD2" Residue "o GLU 105": "OE1" <-> "OE2" Residue "o PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o ARG 186": "NH1" <-> "NH2" Residue "o ASP 204": "OD1" <-> "OD2" Residue "o GLU 210": "OE1" <-> "OE2" Residue "o TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p GLU 25": "OE1" <-> "OE2" Residue "p TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p ASP 38": "OD1" <-> "OD2" Residue "p GLU 46": "OE1" <-> "OE2" Residue "p TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p ASP 85": "OD1" <-> "OD2" Residue "p ASP 90": "OD1" <-> "OD2" Residue "p ASP 100": "OD1" <-> "OD2" Residue "p GLU 105": "OE1" <-> "OE2" Residue "p PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p ARG 186": "NH1" <-> "NH2" Residue "p ASP 204": "OD1" <-> "OD2" Residue "p GLU 210": "OE1" <-> "OE2" Residue "p TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q GLU 25": "OE1" <-> "OE2" Residue "q TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q ASP 38": "OD1" <-> "OD2" Residue "q GLU 46": "OE1" <-> "OE2" Residue "q TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q ASP 85": "OD1" <-> "OD2" Residue "q ASP 90": "OD1" <-> "OD2" Residue "q ASP 100": "OD1" <-> "OD2" Residue "q GLU 105": "OE1" <-> "OE2" Residue "q PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q ARG 186": "NH1" <-> "NH2" Residue "q ASP 204": "OD1" <-> "OD2" Residue "q GLU 210": "OE1" <-> "OE2" Residue "q TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r GLU 25": "OE1" <-> "OE2" Residue "r TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r ASP 38": "OD1" <-> "OD2" Residue "r GLU 46": "OE1" <-> "OE2" Residue "r TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r ASP 85": "OD1" <-> "OD2" Residue "r ASP 90": "OD1" <-> "OD2" Residue "r ASP 100": "OD1" <-> "OD2" Residue "r GLU 105": "OE1" <-> "OE2" Residue "r PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r ARG 186": "NH1" <-> "NH2" Residue "r ASP 204": "OD1" <-> "OD2" Residue "r GLU 210": "OE1" <-> "OE2" Residue "r TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s GLU 25": "OE1" <-> "OE2" Residue "s TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s ASP 38": "OD1" <-> "OD2" Residue "s GLU 46": "OE1" <-> "OE2" Residue "s TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s ASP 85": "OD1" <-> "OD2" Residue "s ASP 90": "OD1" <-> "OD2" Residue "s ASP 100": "OD1" <-> "OD2" Residue "s GLU 105": "OE1" <-> "OE2" Residue "s PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s ARG 186": "NH1" <-> "NH2" Residue "s ASP 204": "OD1" <-> "OD2" Residue "s GLU 210": "OE1" <-> "OE2" Residue "s TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t GLU 25": "OE1" <-> "OE2" Residue "t TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t ASP 38": "OD1" <-> "OD2" Residue "t GLU 46": "OE1" <-> "OE2" Residue "t TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t ASP 85": "OD1" <-> "OD2" Residue "t ASP 90": "OD1" <-> "OD2" Residue "t ASP 100": "OD1" <-> "OD2" Residue "t GLU 105": "OE1" <-> "OE2" Residue "t PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t ARG 186": "NH1" <-> "NH2" Residue "t ASP 204": "OD1" <-> "OD2" Residue "t GLU 210": "OE1" <-> "OE2" Residue "t TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u GLU 25": "OE1" <-> "OE2" Residue "u TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u ASP 38": "OD1" <-> "OD2" Residue "u GLU 46": "OE1" <-> "OE2" Residue "u TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u ASP 85": "OD1" <-> "OD2" Residue "u ASP 90": "OD1" <-> "OD2" Residue "u ASP 100": "OD1" <-> "OD2" Residue "u GLU 105": "OE1" <-> "OE2" Residue "u PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u ARG 186": "NH1" <-> "NH2" Residue "u ASP 204": "OD1" <-> "OD2" Residue "u GLU 210": "OE1" <-> "OE2" Residue "u TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v GLU 25": "OE1" <-> "OE2" Residue "v TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v ASP 38": "OD1" <-> "OD2" Residue "v GLU 46": "OE1" <-> "OE2" Residue "v TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v ASP 85": "OD1" <-> "OD2" Residue "v ASP 90": "OD1" <-> "OD2" Residue "v ASP 100": "OD1" <-> "OD2" Residue "v GLU 105": "OE1" <-> "OE2" Residue "v PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v ARG 186": "NH1" <-> "NH2" Residue "v ASP 204": "OD1" <-> "OD2" Residue "v GLU 210": "OE1" <-> "OE2" Residue "v TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w GLU 25": "OE1" <-> "OE2" Residue "w TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w ASP 38": "OD1" <-> "OD2" Residue "w GLU 46": "OE1" <-> "OE2" Residue "w TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w ASP 85": "OD1" <-> "OD2" Residue "w ASP 90": "OD1" <-> "OD2" Residue "w ASP 100": "OD1" <-> "OD2" Residue "w GLU 105": "OE1" <-> "OE2" Residue "w PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w ARG 186": "NH1" <-> "NH2" Residue "w ASP 204": "OD1" <-> "OD2" Residue "w GLU 210": "OE1" <-> "OE2" Residue "w TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x GLU 25": "OE1" <-> "OE2" Residue "x TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x ASP 38": "OD1" <-> "OD2" Residue "x GLU 46": "OE1" <-> "OE2" Residue "x TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x ASP 85": "OD1" <-> "OD2" Residue "x ASP 90": "OD1" <-> "OD2" Residue "x ASP 100": "OD1" <-> "OD2" Residue "x GLU 105": "OE1" <-> "OE2" Residue "x PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x ARG 186": "NH1" <-> "NH2" Residue "x ASP 204": "OD1" <-> "OD2" Residue "x GLU 210": "OE1" <-> "OE2" Residue "x TYR 227": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Time to flip residues: 0.35s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/chem_data/mon_lib" Total number of atoms: 127320 Number of models: 1 Model: "" Number of chains: 60 Chain: "A" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE A 258 " pdbres="RBF A 301 " Chain: "B" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE B 258 " pdbres="RBF B 301 " Chain: "C" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE C 258 " pdbres="RBF C 301 " Chain: "D" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE D 258 " pdbres="RBF D 301 " Chain: "E" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE E 258 " pdbres="RBF E 301 " Chain: "F" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE F 258 " pdbres="RBF F 301 " Chain: "G" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE G 258 " pdbres="RBF G 301 " Chain: "H" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE H 258 " pdbres="RBF H 301 " Chain: "I" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE I 258 " pdbres="RBF I 301 " Chain: "J" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE J 258 " pdbres="RBF J 301 " Chain: "K" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE K 258 " pdbres="RBF K 301 " Chain: "L" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE L 258 " pdbres="RBF L 301 " Chain: "M" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE M 258 " pdbres="RBF M 301 " Chain: "N" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE N 258 " pdbres="RBF N 301 " Chain: "O" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE O 258 " pdbres="RBF O 301 " Chain: "P" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE P 258 " pdbres="RBF P 301 " Chain: "Q" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE Q 258 " pdbres="RBF Q 301 " Chain: "R" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE R 258 " pdbres="RBF R 301 " Chain: "S" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE S 258 " pdbres="RBF S 301 " Chain: "T" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE T 258 " pdbres="RBF T 301 " Chain: "U" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE U 258 " pdbres="RBF U 301 " Chain: "V" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE V 258 " pdbres="RBF V 301 " Chain: "W" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE W 258 " pdbres="RBF W 301 " Chain: "X" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE X 258 " pdbres="RBF X 301 " Chain: "Y" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE Y 258 " pdbres="RBF Y 301 " Chain: "Z" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE Z 258 " pdbres="RBF Z 301 " Chain: "0" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE 0 258 " pdbres="RBF 0 301 " Chain: "1" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE 1 258 " pdbres="RBF 1 301 " Chain: "2" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE 2 258 " pdbres="RBF 2 301 " Chain: "3" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE 3 258 " pdbres="RBF 3 301 " Chain: "4" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE 4 258 " pdbres="RBF 4 301 " Chain: "5" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE 5 258 " pdbres="RBF 5 301 " Chain: "6" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE 6 258 " pdbres="RBF 6 301 " Chain: "7" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE 7 258 " pdbres="RBF 7 301 " Chain: "8" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE 8 258 " pdbres="RBF 8 301 " Chain: "9" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE 9 258 " pdbres="RBF 9 301 " Chain: "a" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE a 258 " pdbres="RBF a 301 " Chain: "b" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE b 258 " pdbres="RBF b 301 " Chain: "c" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE c 258 " pdbres="RBF c 301 " Chain: "d" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE d 258 " pdbres="RBF d 301 " Chain: "e" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE e 258 " pdbres="RBF e 301 " Chain: "f" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE f 258 " pdbres="RBF f 301 " Chain: "g" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE g 258 " pdbres="RBF g 301 " Chain: "h" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE h 258 " pdbres="RBF h 301 " Chain: "i" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE i 258 " pdbres="RBF i 301 " Chain: "j" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE j 258 " pdbres="RBF j 301 " Chain: "k" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE k 258 " pdbres="RBF k 301 " Chain: "l" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE l 258 " pdbres="RBF l 301 " Chain: "m" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE m 258 " pdbres="RBF m 301 " Chain: "n" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE n 258 " pdbres="RBF n 301 " Chain: "o" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE o 258 " pdbres="RBF o 301 " Chain: "p" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE p 258 " pdbres="RBF p 301 " Chain: "q" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE q 258 " pdbres="RBF q 301 " Chain: "r" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE r 258 " pdbres="RBF r 301 " Chain: "s" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE s 258 " pdbres="RBF s 301 " Chain: "t" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE t 258 " pdbres="RBF t 301 " Chain: "u" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE u 258 " pdbres="RBF u 301 " Chain: "v" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE v 258 " pdbres="RBF v 301 " Chain: "w" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE w 258 " pdbres="RBF w 301 " Chain: "x" Number of atoms: 2122 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2122 Unusual residues: {'RBF': 1} Classifications: {'peptide': 258, 'undetermined': 1} Link IDs: {'PTRANS': 9, 'TRANS': 248, None: 1} Not linked: pdbres="PHE x 258 " pdbres="RBF x 301 " Time building chain proxies: 46.25, per 1000 atoms: 0.36 Number of scatterers: 127320 At special positions: 0 Unit cell: (255.78, 255.78, 255.78, 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 240 16.00 O 24360 8.00 N 21180 7.00 C 81540 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: 31.59 Conformation dependent library (CDL) restraints added in 16.4 seconds 30720 Ramachandran restraints generated. 15360 Oldfield, 0 Emsley, 15360 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 28800 Finding SS restraints... Warning!!! ksdssp method is not applicable for structures that cannot fit in PDB format. Switching to from_ca. running find_ss_from_ca liberal... Secondary structure from input PDB file: 420 helices and 180 sheets defined 37.6% alpha, 23.6% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 25.77 Creating SS restraints... Processing helix chain 'A' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP A 16 " --> pdb=" O THR A 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU A 25 " --> pdb=" O ASN A 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE A 26 " --> pdb=" O ARG A 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU A 31 " --> pdb=" O PHE A 27 " (cutoff:3.500A) Processing helix chain 'A' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE A 36 " --> pdb=" O TYR A 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL A 37 " --> pdb=" O GLY A 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 32 through 37' Processing helix chain 'A' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU A 89 " --> pdb=" O ASP A 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU A 92 " --> pdb=" O GLU A 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU A 93 " --> pdb=" O LEU A 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG A 94 " --> pdb=" O ASP A 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY A 95 " --> pdb=" O ASN A 91 " (cutoff:3.500A) Processing helix chain 'A' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU A 105 " --> pdb=" O LEU A 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU A 106 " --> pdb=" O SER A 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR A 107 " --> pdb=" O SER A 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS A 110 " --> pdb=" O GLU A 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA A 112 " --> pdb=" O VAL A 108 " (cutoff:3.500A) Processing helix chain 'A' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU A 148 " --> pdb=" O THR A 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU A 149 " --> pdb=" O PRO A 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU A 150 " --> pdb=" O LYS A 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL A 153 " --> pdb=" O LEU A 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE A 158 " --> pdb=" O ARG A 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP A 162 " --> pdb=" O ILE A 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY A 163 " --> pdb=" O PHE A 159 " (cutoff:3.500A) Processing helix chain 'A' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP A 177 " --> pdb=" O ASN A 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE A 178 " --> pdb=" O THR A 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN A 179 " --> pdb=" O ASP A 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE A 180 " --> pdb=" O ARG A 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU A 181 " --> pdb=" O TRP A 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 173 through 181' Processing helix chain 'A' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL A 187 " --> pdb=" O ASP A 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG A 192 " --> pdb=" O GLU A 188 " (cutoff:3.500A) Processing helix chain 'B' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP B 16 " --> pdb=" O THR B 12 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N GLU B 25 " --> pdb=" O ASN B 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE B 26 " --> pdb=" O ARG B 22 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N LEU B 31 " --> pdb=" O PHE B 27 " (cutoff:3.500A) Processing helix chain 'B' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE B 36 " --> pdb=" O TYR B 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL B 37 " --> pdb=" O GLY B 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 32 through 37' Processing helix chain 'B' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU B 89 " --> pdb=" O ASP B 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU B 92 " --> pdb=" O GLU B 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU B 93 " --> pdb=" O LEU B 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG B 94 " --> pdb=" O ASP B 90 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLY B 95 " --> pdb=" O ASN B 91 " (cutoff:3.500A) Processing helix chain 'B' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU B 105 " --> pdb=" O LEU B 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU B 106 " --> pdb=" O SER B 102 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N THR B 107 " --> pdb=" O SER B 103 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N LYS B 110 " --> pdb=" O GLU B 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA B 112 " --> pdb=" O VAL B 108 " (cutoff:3.500A) Processing helix chain 'B' and resid 144 through 163 removed outlier: 4.329A pdb=" N LEU B 148 " --> pdb=" O THR B 144 " (cutoff:3.500A) removed outlier: 4.994A pdb=" N LEU B 149 " --> pdb=" O PRO B 145 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLU B 150 " --> pdb=" O LYS B 146 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N VAL B 153 " --> pdb=" O LEU B 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE B 158 " --> pdb=" O ARG B 154 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ASP B 162 " --> pdb=" O ILE B 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY B 163 " --> pdb=" O PHE B 159 " (cutoff:3.500A) Processing helix chain 'B' and resid 173 through 181 removed outlier: 3.705A pdb=" N TRP B 177 " --> pdb=" O ASN B 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE B 178 " --> pdb=" O THR B 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN B 179 " --> pdb=" O ASP B 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE B 180 " --> pdb=" O ARG B 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU B 181 " --> pdb=" O TRP B 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 173 through 181' Processing helix chain 'B' and resid 183 through 192 removed outlier: 5.274A pdb=" N VAL B 187 " --> pdb=" O ASP B 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG B 192 " --> pdb=" O GLU B 188 " (cutoff:3.500A) Processing helix chain 'C' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP C 16 " --> pdb=" O THR C 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU C 25 " --> pdb=" O ASN C 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE C 26 " --> pdb=" O ARG C 22 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N LEU C 31 " --> pdb=" O PHE C 27 " (cutoff:3.500A) Processing helix chain 'C' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE C 36 " --> pdb=" O TYR C 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL C 37 " --> pdb=" O GLY C 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 32 through 37' Processing helix chain 'C' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU C 89 " --> pdb=" O ASP C 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU C 92 " --> pdb=" O GLU C 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU C 93 " --> pdb=" O LEU C 89 " (cutoff:3.500A) removed outlier: 4.114A pdb=" N ARG C 94 " --> pdb=" O ASP C 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY C 95 " --> pdb=" O ASN C 91 " (cutoff:3.500A) Processing helix chain 'C' and resid 101 through 121 removed outlier: 4.773A pdb=" N GLU C 105 " --> pdb=" O LEU C 101 " (cutoff:3.500A) removed outlier: 4.806A pdb=" N GLU C 106 " --> pdb=" O SER C 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR C 107 " --> pdb=" O SER C 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS C 110 " --> pdb=" O GLU C 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA C 112 " --> pdb=" O VAL C 108 " (cutoff:3.500A) Processing helix chain 'C' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU C 148 " --> pdb=" O THR C 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU C 149 " --> pdb=" O PRO C 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU C 150 " --> pdb=" O LYS C 146 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N VAL C 153 " --> pdb=" O LEU C 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE C 158 " --> pdb=" O ARG C 154 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ASP C 162 " --> pdb=" O ILE C 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY C 163 " --> pdb=" O PHE C 159 " (cutoff:3.500A) Processing helix chain 'C' and resid 173 through 181 removed outlier: 3.707A pdb=" N TRP C 177 " --> pdb=" O ASN C 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE C 178 " --> pdb=" O THR C 174 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N ASN C 179 " --> pdb=" O ASP C 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE C 180 " --> pdb=" O ARG C 176 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEU C 181 " --> pdb=" O TRP C 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 173 through 181' Processing helix chain 'C' and resid 183 through 192 removed outlier: 5.272A pdb=" N VAL C 187 " --> pdb=" O ASP C 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG C 192 " --> pdb=" O GLU C 188 " (cutoff:3.500A) Processing helix chain 'D' and resid 12 through 31 removed outlier: 3.659A pdb=" N TRP D 16 " --> pdb=" O THR D 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU D 25 " --> pdb=" O ASN D 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE D 26 " --> pdb=" O ARG D 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU D 31 " --> pdb=" O PHE D 27 " (cutoff:3.500A) Processing helix chain 'D' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE D 36 " --> pdb=" O TYR D 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL D 37 " --> pdb=" O GLY D 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 32 through 37' Processing helix chain 'D' and resid 85 through 95 removed outlier: 3.781A pdb=" N LEU D 89 " --> pdb=" O ASP D 85 " (cutoff:3.500A) removed outlier: 4.177A pdb=" N LEU D 92 " --> pdb=" O GLU D 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU D 93 " --> pdb=" O LEU D 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG D 94 " --> pdb=" O ASP D 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY D 95 " --> pdb=" O ASN D 91 " (cutoff:3.500A) Processing helix chain 'D' and resid 101 through 121 removed outlier: 4.773A pdb=" N GLU D 105 " --> pdb=" O LEU D 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU D 106 " --> pdb=" O SER D 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR D 107 " --> pdb=" O SER D 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS D 110 " --> pdb=" O GLU D 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA D 112 " --> pdb=" O VAL D 108 " (cutoff:3.500A) Processing helix chain 'D' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU D 148 " --> pdb=" O THR D 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU D 149 " --> pdb=" O PRO D 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU D 150 " --> pdb=" O LYS D 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL D 153 " --> pdb=" O LEU D 149 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N ILE D 158 " --> pdb=" O ARG D 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP D 162 " --> pdb=" O ILE D 158 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N GLY D 163 " --> pdb=" O PHE D 159 " (cutoff:3.500A) Processing helix chain 'D' and resid 173 through 181 removed outlier: 3.705A pdb=" N TRP D 177 " --> pdb=" O ASN D 173 " (cutoff:3.500A) removed outlier: 4.043A pdb=" N ILE D 178 " --> pdb=" O THR D 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN D 179 " --> pdb=" O ASP D 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE D 180 " --> pdb=" O ARG D 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU D 181 " --> pdb=" O TRP D 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 173 through 181' Processing helix chain 'D' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL D 187 " --> pdb=" O ASP D 183 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N ARG D 192 " --> pdb=" O GLU D 188 " (cutoff:3.500A) Processing helix chain 'E' and resid 12 through 31 removed outlier: 3.659A pdb=" N TRP E 16 " --> pdb=" O THR E 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU E 25 " --> pdb=" O ASN E 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE E 26 " --> pdb=" O ARG E 22 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N LEU E 31 " --> pdb=" O PHE E 27 " (cutoff:3.500A) Processing helix chain 'E' and resid 32 through 37 removed outlier: 4.821A pdb=" N PHE E 36 " --> pdb=" O TYR E 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL E 37 " --> pdb=" O GLY E 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 32 through 37' Processing helix chain 'E' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU E 89 " --> pdb=" O ASP E 85 " (cutoff:3.500A) removed outlier: 4.177A pdb=" N LEU E 92 " --> pdb=" O GLU E 88 " (cutoff:3.500A) removed outlier: 5.063A pdb=" N GLU E 93 " --> pdb=" O LEU E 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG E 94 " --> pdb=" O ASP E 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY E 95 " --> pdb=" O ASN E 91 " (cutoff:3.500A) Processing helix chain 'E' and resid 101 through 121 removed outlier: 4.773A pdb=" N GLU E 105 " --> pdb=" O LEU E 101 " (cutoff:3.500A) removed outlier: 4.806A pdb=" N GLU E 106 " --> pdb=" O SER E 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR E 107 " --> pdb=" O SER E 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS E 110 " --> pdb=" O GLU E 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA E 112 " --> pdb=" O VAL E 108 " (cutoff:3.500A) Processing helix chain 'E' and resid 144 through 163 removed outlier: 4.329A pdb=" N LEU E 148 " --> pdb=" O THR E 144 " (cutoff:3.500A) removed outlier: 4.994A pdb=" N LEU E 149 " --> pdb=" O PRO E 145 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLU E 150 " --> pdb=" O LYS E 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL E 153 " --> pdb=" O LEU E 149 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N ILE E 158 " --> pdb=" O ARG E 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP E 162 " --> pdb=" O ILE E 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY E 163 " --> pdb=" O PHE E 159 " (cutoff:3.500A) Processing helix chain 'E' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP E 177 " --> pdb=" O ASN E 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE E 178 " --> pdb=" O THR E 174 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N ASN E 179 " --> pdb=" O ASP E 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE E 180 " --> pdb=" O ARG E 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU E 181 " --> pdb=" O TRP E 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 173 through 181' Processing helix chain 'E' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL E 187 " --> pdb=" O ASP E 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG E 192 " --> pdb=" O GLU E 188 " (cutoff:3.500A) Processing helix chain 'F' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP F 16 " --> pdb=" O THR F 12 " (cutoff:3.500A) removed outlier: 4.056A pdb=" N GLU F 25 " --> pdb=" O ASN F 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE F 26 " --> pdb=" O ARG F 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU F 31 " --> pdb=" O PHE F 27 " (cutoff:3.500A) Processing helix chain 'F' and resid 32 through 37 removed outlier: 4.821A pdb=" N PHE F 36 " --> pdb=" O TYR F 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL F 37 " --> pdb=" O GLY F 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'F' and resid 32 through 37' Processing helix chain 'F' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU F 89 " --> pdb=" O ASP F 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU F 92 " --> pdb=" O GLU F 88 " (cutoff:3.500A) removed outlier: 5.063A pdb=" N GLU F 93 " --> pdb=" O LEU F 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG F 94 " --> pdb=" O ASP F 90 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLY F 95 " --> pdb=" O ASN F 91 " (cutoff:3.500A) Processing helix chain 'F' and resid 101 through 121 removed outlier: 4.773A pdb=" N GLU F 105 " --> pdb=" O LEU F 101 " (cutoff:3.500A) removed outlier: 4.806A pdb=" N GLU F 106 " --> pdb=" O SER F 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR F 107 " --> pdb=" O SER F 103 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N LYS F 110 " --> pdb=" O GLU F 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA F 112 " --> pdb=" O VAL F 108 " (cutoff:3.500A) Processing helix chain 'F' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU F 148 " --> pdb=" O THR F 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU F 149 " --> pdb=" O PRO F 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU F 150 " --> pdb=" O LYS F 146 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N VAL F 153 " --> pdb=" O LEU F 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE F 158 " --> pdb=" O ARG F 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP F 162 " --> pdb=" O ILE F 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY F 163 " --> pdb=" O PHE F 159 " (cutoff:3.500A) Processing helix chain 'F' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP F 177 " --> pdb=" O ASN F 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE F 178 " --> pdb=" O THR F 174 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N ASN F 179 " --> pdb=" O ASP F 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE F 180 " --> pdb=" O ARG F 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU F 181 " --> pdb=" O TRP F 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'F' and resid 173 through 181' Processing helix chain 'F' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL F 187 " --> pdb=" O ASP F 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG F 192 " --> pdb=" O GLU F 188 " (cutoff:3.500A) Processing helix chain 'G' and resid 12 through 31 removed outlier: 3.661A pdb=" N TRP G 16 " --> pdb=" O THR G 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU G 25 " --> pdb=" O ASN G 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE G 26 " --> pdb=" O ARG G 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU G 31 " --> pdb=" O PHE G 27 " (cutoff:3.500A) Processing helix chain 'G' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE G 36 " --> pdb=" O TYR G 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL G 37 " --> pdb=" O GLY G 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 32 through 37' Processing helix chain 'G' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU G 89 " --> pdb=" O ASP G 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU G 92 " --> pdb=" O GLU G 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU G 93 " --> pdb=" O LEU G 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG G 94 " --> pdb=" O ASP G 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY G 95 " --> pdb=" O ASN G 91 " (cutoff:3.500A) Processing helix chain 'G' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU G 105 " --> pdb=" O LEU G 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU G 106 " --> pdb=" O SER G 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR G 107 " --> pdb=" O SER G 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS G 110 " --> pdb=" O GLU G 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA G 112 " --> pdb=" O VAL G 108 " (cutoff:3.500A) Processing helix chain 'G' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU G 148 " --> pdb=" O THR G 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU G 149 " --> pdb=" O PRO G 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU G 150 " --> pdb=" O LYS G 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL G 153 " --> pdb=" O LEU G 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE G 158 " --> pdb=" O ARG G 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP G 162 " --> pdb=" O ILE G 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY G 163 " --> pdb=" O PHE G 159 " (cutoff:3.500A) Processing helix chain 'G' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP G 177 " --> pdb=" O ASN G 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE G 178 " --> pdb=" O THR G 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN G 179 " --> pdb=" O ASP G 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE G 180 " --> pdb=" O ARG G 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU G 181 " --> pdb=" O TRP G 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 173 through 181' Processing helix chain 'G' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL G 187 " --> pdb=" O ASP G 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG G 192 " --> pdb=" O GLU G 188 " (cutoff:3.500A) Processing helix chain 'H' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP H 16 " --> pdb=" O THR H 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU H 25 " --> pdb=" O ASN H 21 " (cutoff:3.500A) removed outlier: 4.252A pdb=" N ILE H 26 " --> pdb=" O ARG H 22 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N LEU H 31 " --> pdb=" O PHE H 27 " (cutoff:3.500A) Processing helix chain 'H' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE H 36 " --> pdb=" O TYR H 32 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N VAL H 37 " --> pdb=" O GLY H 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'H' and resid 32 through 37' Processing helix chain 'H' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU H 89 " --> pdb=" O ASP H 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU H 92 " --> pdb=" O GLU H 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU H 93 " --> pdb=" O LEU H 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG H 94 " --> pdb=" O ASP H 90 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLY H 95 " --> pdb=" O ASN H 91 " (cutoff:3.500A) Processing helix chain 'H' and resid 101 through 121 removed outlier: 4.773A pdb=" N GLU H 105 " --> pdb=" O LEU H 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU H 106 " --> pdb=" O SER H 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR H 107 " --> pdb=" O SER H 103 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N LYS H 110 " --> pdb=" O GLU H 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA H 112 " --> pdb=" O VAL H 108 " (cutoff:3.500A) Processing helix chain 'H' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU H 148 " --> pdb=" O THR H 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU H 149 " --> pdb=" O PRO H 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU H 150 " --> pdb=" O LYS H 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL H 153 " --> pdb=" O LEU H 149 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N ILE H 158 " --> pdb=" O ARG H 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP H 162 " --> pdb=" O ILE H 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY H 163 " --> pdb=" O PHE H 159 " (cutoff:3.500A) Processing helix chain 'H' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP H 177 " --> pdb=" O ASN H 173 " (cutoff:3.500A) removed outlier: 4.043A pdb=" N ILE H 178 " --> pdb=" O THR H 174 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N ASN H 179 " --> pdb=" O ASP H 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE H 180 " --> pdb=" O ARG H 176 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEU H 181 " --> pdb=" O TRP H 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'H' and resid 173 through 181' Processing helix chain 'H' and resid 183 through 192 removed outlier: 5.272A pdb=" N VAL H 187 " --> pdb=" O ASP H 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG H 192 " --> pdb=" O GLU H 188 " (cutoff:3.500A) Processing helix chain 'I' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP I 16 " --> pdb=" O THR I 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU I 25 " --> pdb=" O ASN I 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE I 26 " --> pdb=" O ARG I 22 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N LEU I 31 " --> pdb=" O PHE I 27 " (cutoff:3.500A) Processing helix chain 'I' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE I 36 " --> pdb=" O TYR I 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL I 37 " --> pdb=" O GLY I 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'I' and resid 32 through 37' Processing helix chain 'I' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU I 89 " --> pdb=" O ASP I 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU I 92 " --> pdb=" O GLU I 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU I 93 " --> pdb=" O LEU I 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG I 94 " --> pdb=" O ASP I 90 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLY I 95 " --> pdb=" O ASN I 91 " (cutoff:3.500A) Processing helix chain 'I' and resid 101 through 121 removed outlier: 4.773A pdb=" N GLU I 105 " --> pdb=" O LEU I 101 " (cutoff:3.500A) removed outlier: 4.806A pdb=" N GLU I 106 " --> pdb=" O SER I 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR I 107 " --> pdb=" O SER I 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS I 110 " --> pdb=" O GLU I 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA I 112 " --> pdb=" O VAL I 108 " (cutoff:3.500A) Processing helix chain 'I' and resid 144 through 163 removed outlier: 4.329A pdb=" N LEU I 148 " --> pdb=" O THR I 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU I 149 " --> pdb=" O PRO I 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU I 150 " --> pdb=" O LYS I 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL I 153 " --> pdb=" O LEU I 149 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N ILE I 158 " --> pdb=" O ARG I 154 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ASP I 162 " --> pdb=" O ILE I 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY I 163 " --> pdb=" O PHE I 159 " (cutoff:3.500A) Processing helix chain 'I' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP I 177 " --> pdb=" O ASN I 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE I 178 " --> pdb=" O THR I 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN I 179 " --> pdb=" O ASP I 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE I 180 " --> pdb=" O ARG I 176 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEU I 181 " --> pdb=" O TRP I 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'I' and resid 173 through 181' Processing helix chain 'I' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL I 187 " --> pdb=" O ASP I 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG I 192 " --> pdb=" O GLU I 188 " (cutoff:3.500A) Processing helix chain 'J' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP J 16 " --> pdb=" O THR J 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU J 25 " --> pdb=" O ASN J 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE J 26 " --> pdb=" O ARG J 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU J 31 " --> pdb=" O PHE J 27 " (cutoff:3.500A) Processing helix chain 'J' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE J 36 " --> pdb=" O TYR J 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL J 37 " --> pdb=" O GLY J 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 32 through 37' Processing helix chain 'J' and resid 85 through 95 removed outlier: 3.783A pdb=" N LEU J 89 " --> pdb=" O ASP J 85 " (cutoff:3.500A) removed outlier: 4.177A pdb=" N LEU J 92 " --> pdb=" O GLU J 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU J 93 " --> pdb=" O LEU J 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG J 94 " --> pdb=" O ASP J 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY J 95 " --> pdb=" O ASN J 91 " (cutoff:3.500A) Processing helix chain 'J' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU J 105 " --> pdb=" O LEU J 101 " (cutoff:3.500A) removed outlier: 4.806A pdb=" N GLU J 106 " --> pdb=" O SER J 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR J 107 " --> pdb=" O SER J 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS J 110 " --> pdb=" O GLU J 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA J 112 " --> pdb=" O VAL J 108 " (cutoff:3.500A) Processing helix chain 'J' and resid 144 through 163 removed outlier: 4.329A pdb=" N LEU J 148 " --> pdb=" O THR J 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU J 149 " --> pdb=" O PRO J 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU J 150 " --> pdb=" O LYS J 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL J 153 " --> pdb=" O LEU J 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE J 158 " --> pdb=" O ARG J 154 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ASP J 162 " --> pdb=" O ILE J 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY J 163 " --> pdb=" O PHE J 159 " (cutoff:3.500A) Processing helix chain 'J' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP J 177 " --> pdb=" O ASN J 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE J 178 " --> pdb=" O THR J 174 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N ASN J 179 " --> pdb=" O ASP J 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE J 180 " --> pdb=" O ARG J 176 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEU J 181 " --> pdb=" O TRP J 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 173 through 181' Processing helix chain 'J' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL J 187 " --> pdb=" O ASP J 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG J 192 " --> pdb=" O GLU J 188 " (cutoff:3.500A) Processing helix chain 'K' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP K 16 " --> pdb=" O THR K 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU K 25 " --> pdb=" O ASN K 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE K 26 " --> pdb=" O ARG K 22 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N LEU K 31 " --> pdb=" O PHE K 27 " (cutoff:3.500A) Processing helix chain 'K' and resid 32 through 37 removed outlier: 4.821A pdb=" N PHE K 36 " --> pdb=" O TYR K 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL K 37 " --> pdb=" O GLY K 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'K' and resid 32 through 37' Processing helix chain 'K' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU K 89 " --> pdb=" O ASP K 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU K 92 " --> pdb=" O GLU K 88 " (cutoff:3.500A) removed outlier: 5.063A pdb=" N GLU K 93 " --> pdb=" O LEU K 89 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ARG K 94 " --> pdb=" O ASP K 90 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLY K 95 " --> pdb=" O ASN K 91 " (cutoff:3.500A) Processing helix chain 'K' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU K 105 " --> pdb=" O LEU K 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU K 106 " --> pdb=" O SER K 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR K 107 " --> pdb=" O SER K 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS K 110 " --> pdb=" O GLU K 106 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N ALA K 112 " --> pdb=" O VAL K 108 " (cutoff:3.500A) Processing helix chain 'K' and resid 144 through 163 removed outlier: 4.329A pdb=" N LEU K 148 " --> pdb=" O THR K 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU K 149 " --> pdb=" O PRO K 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU K 150 " --> pdb=" O LYS K 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL K 153 " --> pdb=" O LEU K 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE K 158 " --> pdb=" O ARG K 154 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ASP K 162 " --> pdb=" O ILE K 158 " (cutoff:3.500A) removed outlier: 4.475A pdb=" N GLY K 163 " --> pdb=" O PHE K 159 " (cutoff:3.500A) Processing helix chain 'K' and resid 173 through 181 removed outlier: 3.707A pdb=" N TRP K 177 " --> pdb=" O ASN K 173 " (cutoff:3.500A) removed outlier: 4.043A pdb=" N ILE K 178 " --> pdb=" O THR K 174 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N ASN K 179 " --> pdb=" O ASP K 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE K 180 " --> pdb=" O ARG K 176 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEU K 181 " --> pdb=" O TRP K 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'K' and resid 173 through 181' Processing helix chain 'K' and resid 183 through 192 removed outlier: 5.272A pdb=" N VAL K 187 " --> pdb=" O ASP K 183 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N ARG K 192 " --> pdb=" O GLU K 188 " (cutoff:3.500A) Processing helix chain 'L' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP L 16 " --> pdb=" O THR L 12 " (cutoff:3.500A) removed outlier: 4.056A pdb=" N GLU L 25 " --> pdb=" O ASN L 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE L 26 " --> pdb=" O ARG L 22 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N LEU L 31 " --> pdb=" O PHE L 27 " (cutoff:3.500A) Processing helix chain 'L' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE L 36 " --> pdb=" O TYR L 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL L 37 " --> pdb=" O GLY L 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'L' and resid 32 through 37' Processing helix chain 'L' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU L 89 " --> pdb=" O ASP L 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU L 92 " --> pdb=" O GLU L 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU L 93 " --> pdb=" O LEU L 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG L 94 " --> pdb=" O ASP L 90 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N GLY L 95 " --> pdb=" O ASN L 91 " (cutoff:3.500A) Processing helix chain 'L' and resid 101 through 121 removed outlier: 4.773A pdb=" N GLU L 105 " --> pdb=" O LEU L 101 " (cutoff:3.500A) removed outlier: 4.804A pdb=" N GLU L 106 " --> pdb=" O SER L 102 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N THR L 107 " --> pdb=" O SER L 103 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N LYS L 110 " --> pdb=" O GLU L 106 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N ALA L 112 " --> pdb=" O VAL L 108 " (cutoff:3.500A) Processing helix chain 'L' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU L 148 " --> pdb=" O THR L 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU L 149 " --> pdb=" O PRO L 145 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N GLU L 150 " --> pdb=" O LYS L 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL L 153 " --> pdb=" O LEU L 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE L 158 " --> pdb=" O ARG L 154 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ASP L 162 " --> pdb=" O ILE L 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY L 163 " --> pdb=" O PHE L 159 " (cutoff:3.500A) Processing helix chain 'L' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP L 177 " --> pdb=" O ASN L 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE L 178 " --> pdb=" O THR L 174 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N ASN L 179 " --> pdb=" O ASP L 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE L 180 " --> pdb=" O ARG L 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU L 181 " --> pdb=" O TRP L 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'L' and resid 173 through 181' Processing helix chain 'L' and resid 183 through 192 removed outlier: 5.272A pdb=" N VAL L 187 " --> pdb=" O ASP L 183 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N ARG L 192 " --> pdb=" O GLU L 188 " (cutoff:3.500A) Processing helix chain 'M' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP M 16 " --> pdb=" O THR M 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU M 25 " --> pdb=" O ASN M 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE M 26 " --> pdb=" O ARG M 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU M 31 " --> pdb=" O PHE M 27 " (cutoff:3.500A) Processing helix chain 'M' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE M 36 " --> pdb=" O TYR M 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL M 37 " --> pdb=" O GLY M 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'M' and resid 32 through 37' Processing helix chain 'M' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU M 89 " --> pdb=" O ASP M 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU M 92 " --> pdb=" O GLU M 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU M 93 " --> pdb=" O LEU M 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG M 94 " --> pdb=" O ASP M 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY M 95 " --> pdb=" O ASN M 91 " (cutoff:3.500A) Processing helix chain 'M' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU M 105 " --> pdb=" O LEU M 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU M 106 " --> pdb=" O SER M 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR M 107 " --> pdb=" O SER M 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS M 110 " --> pdb=" O GLU M 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA M 112 " --> pdb=" O VAL M 108 " (cutoff:3.500A) Processing helix chain 'M' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU M 148 " --> pdb=" O THR M 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU M 149 " --> pdb=" O PRO M 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU M 150 " --> pdb=" O LYS M 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL M 153 " --> pdb=" O LEU M 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE M 158 " --> pdb=" O ARG M 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP M 162 " --> pdb=" O ILE M 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY M 163 " --> pdb=" O PHE M 159 " (cutoff:3.500A) Processing helix chain 'M' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP M 177 " --> pdb=" O ASN M 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE M 178 " --> pdb=" O THR M 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN M 179 " --> pdb=" O ASP M 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE M 180 " --> pdb=" O ARG M 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU M 181 " --> pdb=" O TRP M 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'M' and resid 173 through 181' Processing helix chain 'M' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL M 187 " --> pdb=" O ASP M 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG M 192 " --> pdb=" O GLU M 188 " (cutoff:3.500A) Processing helix chain 'N' and resid 12 through 31 removed outlier: 3.659A pdb=" N TRP N 16 " --> pdb=" O THR N 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU N 25 " --> pdb=" O ASN N 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE N 26 " --> pdb=" O ARG N 22 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N LEU N 31 " --> pdb=" O PHE N 27 " (cutoff:3.500A) Processing helix chain 'N' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE N 36 " --> pdb=" O TYR N 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL N 37 " --> pdb=" O GLY N 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'N' and resid 32 through 37' Processing helix chain 'N' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU N 89 " --> pdb=" O ASP N 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU N 92 " --> pdb=" O GLU N 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU N 93 " --> pdb=" O LEU N 89 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ARG N 94 " --> pdb=" O ASP N 90 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLY N 95 " --> pdb=" O ASN N 91 " (cutoff:3.500A) Processing helix chain 'N' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU N 105 " --> pdb=" O LEU N 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU N 106 " --> pdb=" O SER N 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR N 107 " --> pdb=" O SER N 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS N 110 " --> pdb=" O GLU N 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA N 112 " --> pdb=" O VAL N 108 " (cutoff:3.500A) Processing helix chain 'N' and resid 144 through 163 removed outlier: 4.329A pdb=" N LEU N 148 " --> pdb=" O THR N 144 " (cutoff:3.500A) removed outlier: 4.994A pdb=" N LEU N 149 " --> pdb=" O PRO N 145 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLU N 150 " --> pdb=" O LYS N 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL N 153 " --> pdb=" O LEU N 149 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N ILE N 158 " --> pdb=" O ARG N 154 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ASP N 162 " --> pdb=" O ILE N 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY N 163 " --> pdb=" O PHE N 159 " (cutoff:3.500A) Processing helix chain 'N' and resid 173 through 181 removed outlier: 3.705A pdb=" N TRP N 177 " --> pdb=" O ASN N 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE N 178 " --> pdb=" O THR N 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN N 179 " --> pdb=" O ASP N 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE N 180 " --> pdb=" O ARG N 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU N 181 " --> pdb=" O TRP N 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'N' and resid 173 through 181' Processing helix chain 'N' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL N 187 " --> pdb=" O ASP N 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG N 192 " --> pdb=" O GLU N 188 " (cutoff:3.500A) Processing helix chain 'O' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP O 16 " --> pdb=" O THR O 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU O 25 " --> pdb=" O ASN O 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE O 26 " --> pdb=" O ARG O 22 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N LEU O 31 " --> pdb=" O PHE O 27 " (cutoff:3.500A) Processing helix chain 'O' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE O 36 " --> pdb=" O TYR O 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL O 37 " --> pdb=" O GLY O 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'O' and resid 32 through 37' Processing helix chain 'O' and resid 85 through 95 removed outlier: 3.781A pdb=" N LEU O 89 " --> pdb=" O ASP O 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU O 92 " --> pdb=" O GLU O 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU O 93 " --> pdb=" O LEU O 89 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ARG O 94 " --> pdb=" O ASP O 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY O 95 " --> pdb=" O ASN O 91 " (cutoff:3.500A) Processing helix chain 'O' and resid 101 through 121 removed outlier: 4.773A pdb=" N GLU O 105 " --> pdb=" O LEU O 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU O 106 " --> pdb=" O SER O 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR O 107 " --> pdb=" O SER O 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS O 110 " --> pdb=" O GLU O 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA O 112 " --> pdb=" O VAL O 108 " (cutoff:3.500A) Processing helix chain 'O' and resid 144 through 163 removed outlier: 4.329A pdb=" N LEU O 148 " --> pdb=" O THR O 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU O 149 " --> pdb=" O PRO O 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU O 150 " --> pdb=" O LYS O 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL O 153 " --> pdb=" O LEU O 149 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N ILE O 158 " --> pdb=" O ARG O 154 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ASP O 162 " --> pdb=" O ILE O 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY O 163 " --> pdb=" O PHE O 159 " (cutoff:3.500A) Processing helix chain 'O' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP O 177 " --> pdb=" O ASN O 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE O 178 " --> pdb=" O THR O 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN O 179 " --> pdb=" O ASP O 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE O 180 " --> pdb=" O ARG O 176 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEU O 181 " --> pdb=" O TRP O 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'O' and resid 173 through 181' Processing helix chain 'O' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL O 187 " --> pdb=" O ASP O 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG O 192 " --> pdb=" O GLU O 188 " (cutoff:3.500A) Processing helix chain 'P' and resid 12 through 31 removed outlier: 3.659A pdb=" N TRP P 16 " --> pdb=" O THR P 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU P 25 " --> pdb=" O ASN P 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE P 26 " --> pdb=" O ARG P 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU P 31 " --> pdb=" O PHE P 27 " (cutoff:3.500A) Processing helix chain 'P' and resid 32 through 37 removed outlier: 4.819A pdb=" N PHE P 36 " --> pdb=" O TYR P 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL P 37 " --> pdb=" O GLY P 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'P' and resid 32 through 37' Processing helix chain 'P' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU P 89 " --> pdb=" O ASP P 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU P 92 " --> pdb=" O GLU P 88 " (cutoff:3.500A) removed outlier: 5.063A pdb=" N GLU P 93 " --> pdb=" O LEU P 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG P 94 " --> pdb=" O ASP P 90 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLY P 95 " --> pdb=" O ASN P 91 " (cutoff:3.500A) Processing helix chain 'P' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU P 105 " --> pdb=" O LEU P 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU P 106 " --> pdb=" O SER P 102 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N THR P 107 " --> pdb=" O SER P 103 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N LYS P 110 " --> pdb=" O GLU P 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA P 112 " --> pdb=" O VAL P 108 " (cutoff:3.500A) Processing helix chain 'P' and resid 144 through 163 removed outlier: 4.329A pdb=" N LEU P 148 " --> pdb=" O THR P 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU P 149 " --> pdb=" O PRO P 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU P 150 " --> pdb=" O LYS P 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL P 153 " --> pdb=" O LEU P 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE P 158 " --> pdb=" O ARG P 154 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ASP P 162 " --> pdb=" O ILE P 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY P 163 " --> pdb=" O PHE P 159 " (cutoff:3.500A) Processing helix chain 'P' and resid 173 through 181 removed outlier: 3.705A pdb=" N TRP P 177 " --> pdb=" O ASN P 173 " (cutoff:3.500A) removed outlier: 4.043A pdb=" N ILE P 178 " --> pdb=" O THR P 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN P 179 " --> pdb=" O ASP P 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE P 180 " --> pdb=" O ARG P 176 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEU P 181 " --> pdb=" O TRP P 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'P' and resid 173 through 181' Processing helix chain 'P' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL P 187 " --> pdb=" O ASP P 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG P 192 " --> pdb=" O GLU P 188 " (cutoff:3.500A) Processing helix chain 'Q' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP Q 16 " --> pdb=" O THR Q 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU Q 25 " --> pdb=" O ASN Q 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE Q 26 " --> pdb=" O ARG Q 22 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N LEU Q 31 " --> pdb=" O PHE Q 27 " (cutoff:3.500A) Processing helix chain 'Q' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE Q 36 " --> pdb=" O TYR Q 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL Q 37 " --> pdb=" O GLY Q 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'Q' and resid 32 through 37' Processing helix chain 'Q' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU Q 89 " --> pdb=" O ASP Q 85 " (cutoff:3.500A) removed outlier: 4.177A pdb=" N LEU Q 92 " --> pdb=" O GLU Q 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU Q 93 " --> pdb=" O LEU Q 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG Q 94 " --> pdb=" O ASP Q 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY Q 95 " --> pdb=" O ASN Q 91 " (cutoff:3.500A) Processing helix chain 'Q' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU Q 105 " --> pdb=" O LEU Q 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU Q 106 " --> pdb=" O SER Q 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR Q 107 " --> pdb=" O SER Q 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS Q 110 " --> pdb=" O GLU Q 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA Q 112 " --> pdb=" O VAL Q 108 " (cutoff:3.500A) Processing helix chain 'Q' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU Q 148 " --> pdb=" O THR Q 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU Q 149 " --> pdb=" O PRO Q 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU Q 150 " --> pdb=" O LYS Q 146 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N VAL Q 153 " --> pdb=" O LEU Q 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE Q 158 " --> pdb=" O ARG Q 154 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ASP Q 162 " --> pdb=" O ILE Q 158 " (cutoff:3.500A) removed outlier: 4.475A pdb=" N GLY Q 163 " --> pdb=" O PHE Q 159 " (cutoff:3.500A) Processing helix chain 'Q' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP Q 177 " --> pdb=" O ASN Q 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE Q 178 " --> pdb=" O THR Q 174 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N ASN Q 179 " --> pdb=" O ASP Q 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE Q 180 " --> pdb=" O ARG Q 176 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEU Q 181 " --> pdb=" O TRP Q 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'Q' and resid 173 through 181' Processing helix chain 'Q' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL Q 187 " --> pdb=" O ASP Q 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG Q 192 " --> pdb=" O GLU Q 188 " (cutoff:3.500A) Processing helix chain 'R' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP R 16 " --> pdb=" O THR R 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU R 25 " --> pdb=" O ASN R 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE R 26 " --> pdb=" O ARG R 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU R 31 " --> pdb=" O PHE R 27 " (cutoff:3.500A) Processing helix chain 'R' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE R 36 " --> pdb=" O TYR R 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL R 37 " --> pdb=" O GLY R 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'R' and resid 32 through 37' Processing helix chain 'R' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU R 89 " --> pdb=" O ASP R 85 " (cutoff:3.500A) removed outlier: 4.177A pdb=" N LEU R 92 " --> pdb=" O GLU R 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU R 93 " --> pdb=" O LEU R 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG R 94 " --> pdb=" O ASP R 90 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLY R 95 " --> pdb=" O ASN R 91 " (cutoff:3.500A) Processing helix chain 'R' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU R 105 " --> pdb=" O LEU R 101 " (cutoff:3.500A) removed outlier: 4.804A pdb=" N GLU R 106 " --> pdb=" O SER R 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR R 107 " --> pdb=" O SER R 103 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N LYS R 110 " --> pdb=" O GLU R 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA R 112 " --> pdb=" O VAL R 108 " (cutoff:3.500A) Processing helix chain 'R' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU R 148 " --> pdb=" O THR R 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU R 149 " --> pdb=" O PRO R 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU R 150 " --> pdb=" O LYS R 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL R 153 " --> pdb=" O LEU R 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE R 158 " --> pdb=" O ARG R 154 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ASP R 162 " --> pdb=" O ILE R 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY R 163 " --> pdb=" O PHE R 159 " (cutoff:3.500A) Processing helix chain 'R' and resid 173 through 181 removed outlier: 3.705A pdb=" N TRP R 177 " --> pdb=" O ASN R 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE R 178 " --> pdb=" O THR R 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN R 179 " --> pdb=" O ASP R 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE R 180 " --> pdb=" O ARG R 176 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEU R 181 " --> pdb=" O TRP R 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'R' and resid 173 through 181' Processing helix chain 'R' and resid 183 through 192 removed outlier: 5.272A pdb=" N VAL R 187 " --> pdb=" O ASP R 183 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N ARG R 192 " --> pdb=" O GLU R 188 " (cutoff:3.500A) Processing helix chain 'S' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP S 16 " --> pdb=" O THR S 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU S 25 " --> pdb=" O ASN S 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE S 26 " --> pdb=" O ARG S 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU S 31 " --> pdb=" O PHE S 27 " (cutoff:3.500A) Processing helix chain 'S' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE S 36 " --> pdb=" O TYR S 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL S 37 " --> pdb=" O GLY S 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'S' and resid 32 through 37' Processing helix chain 'S' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU S 89 " --> pdb=" O ASP S 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU S 92 " --> pdb=" O GLU S 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU S 93 " --> pdb=" O LEU S 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG S 94 " --> pdb=" O ASP S 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY S 95 " --> pdb=" O ASN S 91 " (cutoff:3.500A) Processing helix chain 'S' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU S 105 " --> pdb=" O LEU S 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU S 106 " --> pdb=" O SER S 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR S 107 " --> pdb=" O SER S 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS S 110 " --> pdb=" O GLU S 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA S 112 " --> pdb=" O VAL S 108 " (cutoff:3.500A) Processing helix chain 'S' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU S 148 " --> pdb=" O THR S 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU S 149 " --> pdb=" O PRO S 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU S 150 " --> pdb=" O LYS S 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL S 153 " --> pdb=" O LEU S 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE S 158 " --> pdb=" O ARG S 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP S 162 " --> pdb=" O ILE S 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY S 163 " --> pdb=" O PHE S 159 " (cutoff:3.500A) Processing helix chain 'S' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP S 177 " --> pdb=" O ASN S 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE S 178 " --> pdb=" O THR S 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN S 179 " --> pdb=" O ASP S 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE S 180 " --> pdb=" O ARG S 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU S 181 " --> pdb=" O TRP S 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'S' and resid 173 through 181' Processing helix chain 'S' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL S 187 " --> pdb=" O ASP S 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG S 192 " --> pdb=" O GLU S 188 " (cutoff:3.500A) Processing helix chain 'T' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP T 16 " --> pdb=" O THR T 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU T 25 " --> pdb=" O ASN T 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE T 26 " --> pdb=" O ARG T 22 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N LEU T 31 " --> pdb=" O PHE T 27 " (cutoff:3.500A) Processing helix chain 'T' and resid 32 through 37 removed outlier: 4.819A pdb=" N PHE T 36 " --> pdb=" O TYR T 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL T 37 " --> pdb=" O GLY T 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'T' and resid 32 through 37' Processing helix chain 'T' and resid 85 through 95 removed outlier: 3.781A pdb=" N LEU T 89 " --> pdb=" O ASP T 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU T 92 " --> pdb=" O GLU T 88 " (cutoff:3.500A) removed outlier: 5.063A pdb=" N GLU T 93 " --> pdb=" O LEU T 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG T 94 " --> pdb=" O ASP T 90 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLY T 95 " --> pdb=" O ASN T 91 " (cutoff:3.500A) Processing helix chain 'T' and resid 101 through 121 removed outlier: 4.773A pdb=" N GLU T 105 " --> pdb=" O LEU T 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU T 106 " --> pdb=" O SER T 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR T 107 " --> pdb=" O SER T 103 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N LYS T 110 " --> pdb=" O GLU T 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA T 112 " --> pdb=" O VAL T 108 " (cutoff:3.500A) Processing helix chain 'T' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU T 148 " --> pdb=" O THR T 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU T 149 " --> pdb=" O PRO T 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU T 150 " --> pdb=" O LYS T 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL T 153 " --> pdb=" O LEU T 149 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N ILE T 158 " --> pdb=" O ARG T 154 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ASP T 162 " --> pdb=" O ILE T 158 " (cutoff:3.500A) removed outlier: 4.475A pdb=" N GLY T 163 " --> pdb=" O PHE T 159 " (cutoff:3.500A) Processing helix chain 'T' and resid 173 through 181 removed outlier: 3.705A pdb=" N TRP T 177 " --> pdb=" O ASN T 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE T 178 " --> pdb=" O THR T 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN T 179 " --> pdb=" O ASP T 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE T 180 " --> pdb=" O ARG T 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU T 181 " --> pdb=" O TRP T 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'T' and resid 173 through 181' Processing helix chain 'T' and resid 183 through 192 removed outlier: 5.272A pdb=" N VAL T 187 " --> pdb=" O ASP T 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG T 192 " --> pdb=" O GLU T 188 " (cutoff:3.500A) Processing helix chain 'U' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP U 16 " --> pdb=" O THR U 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU U 25 " --> pdb=" O ASN U 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE U 26 " --> pdb=" O ARG U 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU U 31 " --> pdb=" O PHE U 27 " (cutoff:3.500A) Processing helix chain 'U' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE U 36 " --> pdb=" O TYR U 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL U 37 " --> pdb=" O GLY U 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'U' and resid 32 through 37' Processing helix chain 'U' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU U 89 " --> pdb=" O ASP U 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU U 92 " --> pdb=" O GLU U 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU U 93 " --> pdb=" O LEU U 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG U 94 " --> pdb=" O ASP U 90 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N GLY U 95 " --> pdb=" O ASN U 91 " (cutoff:3.500A) Processing helix chain 'U' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU U 105 " --> pdb=" O LEU U 101 " (cutoff:3.500A) removed outlier: 4.804A pdb=" N GLU U 106 " --> pdb=" O SER U 102 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N THR U 107 " --> pdb=" O SER U 103 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N LYS U 110 " --> pdb=" O GLU U 106 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N ALA U 112 " --> pdb=" O VAL U 108 " (cutoff:3.500A) Processing helix chain 'U' and resid 144 through 163 removed outlier: 4.329A pdb=" N LEU U 148 " --> pdb=" O THR U 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU U 149 " --> pdb=" O PRO U 145 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLU U 150 " --> pdb=" O LYS U 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL U 153 " --> pdb=" O LEU U 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE U 158 " --> pdb=" O ARG U 154 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ASP U 162 " --> pdb=" O ILE U 158 " (cutoff:3.500A) removed outlier: 4.475A pdb=" N GLY U 163 " --> pdb=" O PHE U 159 " (cutoff:3.500A) Processing helix chain 'U' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP U 177 " --> pdb=" O ASN U 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE U 178 " --> pdb=" O THR U 174 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N ASN U 179 " --> pdb=" O ASP U 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE U 180 " --> pdb=" O ARG U 176 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEU U 181 " --> pdb=" O TRP U 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'U' and resid 173 through 181' Processing helix chain 'U' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL U 187 " --> pdb=" O ASP U 183 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N ARG U 192 " --> pdb=" O GLU U 188 " (cutoff:3.500A) Processing helix chain 'V' and resid 12 through 31 removed outlier: 3.659A pdb=" N TRP V 16 " --> pdb=" O THR V 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU V 25 " --> pdb=" O ASN V 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE V 26 " --> pdb=" O ARG V 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU V 31 " --> pdb=" O PHE V 27 " (cutoff:3.500A) Processing helix chain 'V' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE V 36 " --> pdb=" O TYR V 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL V 37 " --> pdb=" O GLY V 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'V' and resid 32 through 37' Processing helix chain 'V' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU V 89 " --> pdb=" O ASP V 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU V 92 " --> pdb=" O GLU V 88 " (cutoff:3.500A) removed outlier: 5.063A pdb=" N GLU V 93 " --> pdb=" O LEU V 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG V 94 " --> pdb=" O ASP V 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY V 95 " --> pdb=" O ASN V 91 " (cutoff:3.500A) Processing helix chain 'V' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU V 105 " --> pdb=" O LEU V 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU V 106 " --> pdb=" O SER V 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR V 107 " --> pdb=" O SER V 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS V 110 " --> pdb=" O GLU V 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA V 112 " --> pdb=" O VAL V 108 " (cutoff:3.500A) Processing helix chain 'V' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU V 148 " --> pdb=" O THR V 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU V 149 " --> pdb=" O PRO V 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU V 150 " --> pdb=" O LYS V 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL V 153 " --> pdb=" O LEU V 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE V 158 " --> pdb=" O ARG V 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP V 162 " --> pdb=" O ILE V 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY V 163 " --> pdb=" O PHE V 159 " (cutoff:3.500A) Processing helix chain 'V' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP V 177 " --> pdb=" O ASN V 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE V 178 " --> pdb=" O THR V 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN V 179 " --> pdb=" O ASP V 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE V 180 " --> pdb=" O ARG V 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU V 181 " --> pdb=" O TRP V 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'V' and resid 173 through 181' Processing helix chain 'V' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL V 187 " --> pdb=" O ASP V 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG V 192 " --> pdb=" O GLU V 188 " (cutoff:3.500A) Processing helix chain 'W' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP W 16 " --> pdb=" O THR W 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU W 25 " --> pdb=" O ASN W 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE W 26 " --> pdb=" O ARG W 22 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N LEU W 31 " --> pdb=" O PHE W 27 " (cutoff:3.500A) Processing helix chain 'W' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE W 36 " --> pdb=" O TYR W 32 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N VAL W 37 " --> pdb=" O GLY W 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'W' and resid 32 through 37' Processing helix chain 'W' and resid 85 through 95 removed outlier: 3.781A pdb=" N LEU W 89 " --> pdb=" O ASP W 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU W 92 " --> pdb=" O GLU W 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU W 93 " --> pdb=" O LEU W 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG W 94 " --> pdb=" O ASP W 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY W 95 " --> pdb=" O ASN W 91 " (cutoff:3.500A) Processing helix chain 'W' and resid 101 through 121 removed outlier: 4.773A pdb=" N GLU W 105 " --> pdb=" O LEU W 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU W 106 " --> pdb=" O SER W 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR W 107 " --> pdb=" O SER W 103 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N LYS W 110 " --> pdb=" O GLU W 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA W 112 " --> pdb=" O VAL W 108 " (cutoff:3.500A) Processing helix chain 'W' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU W 148 " --> pdb=" O THR W 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU W 149 " --> pdb=" O PRO W 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU W 150 " --> pdb=" O LYS W 146 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N VAL W 153 " --> pdb=" O LEU W 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE W 158 " --> pdb=" O ARG W 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP W 162 " --> pdb=" O ILE W 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY W 163 " --> pdb=" O PHE W 159 " (cutoff:3.500A) Processing helix chain 'W' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP W 177 " --> pdb=" O ASN W 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE W 178 " --> pdb=" O THR W 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN W 179 " --> pdb=" O ASP W 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE W 180 " --> pdb=" O ARG W 176 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEU W 181 " --> pdb=" O TRP W 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'W' and resid 173 through 181' Processing helix chain 'W' and resid 183 through 192 removed outlier: 5.272A pdb=" N VAL W 187 " --> pdb=" O ASP W 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG W 192 " --> pdb=" O GLU W 188 " (cutoff:3.500A) Processing helix chain 'X' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP X 16 " --> pdb=" O THR X 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU X 25 " --> pdb=" O ASN X 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE X 26 " --> pdb=" O ARG X 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU X 31 " --> pdb=" O PHE X 27 " (cutoff:3.500A) Processing helix chain 'X' and resid 32 through 37 removed outlier: 4.821A pdb=" N PHE X 36 " --> pdb=" O TYR X 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL X 37 " --> pdb=" O GLY X 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'X' and resid 32 through 37' Processing helix chain 'X' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU X 89 " --> pdb=" O ASP X 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU X 92 " --> pdb=" O GLU X 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU X 93 " --> pdb=" O LEU X 89 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ARG X 94 " --> pdb=" O ASP X 90 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLY X 95 " --> pdb=" O ASN X 91 " (cutoff:3.500A) Processing helix chain 'X' and resid 101 through 121 removed outlier: 4.773A pdb=" N GLU X 105 " --> pdb=" O LEU X 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU X 106 " --> pdb=" O SER X 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR X 107 " --> pdb=" O SER X 103 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N LYS X 110 " --> pdb=" O GLU X 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA X 112 " --> pdb=" O VAL X 108 " (cutoff:3.500A) Processing helix chain 'X' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU X 148 " --> pdb=" O THR X 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU X 149 " --> pdb=" O PRO X 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU X 150 " --> pdb=" O LYS X 146 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N VAL X 153 " --> pdb=" O LEU X 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE X 158 " --> pdb=" O ARG X 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP X 162 " --> pdb=" O ILE X 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY X 163 " --> pdb=" O PHE X 159 " (cutoff:3.500A) Processing helix chain 'X' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP X 177 " --> pdb=" O ASN X 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE X 178 " --> pdb=" O THR X 174 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N ASN X 179 " --> pdb=" O ASP X 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE X 180 " --> pdb=" O ARG X 176 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEU X 181 " --> pdb=" O TRP X 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'X' and resid 173 through 181' Processing helix chain 'X' and resid 183 through 192 removed outlier: 5.272A pdb=" N VAL X 187 " --> pdb=" O ASP X 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG X 192 " --> pdb=" O GLU X 188 " (cutoff:3.500A) Processing helix chain 'Y' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP Y 16 " --> pdb=" O THR Y 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU Y 25 " --> pdb=" O ASN Y 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE Y 26 " --> pdb=" O ARG Y 22 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N LEU Y 31 " --> pdb=" O PHE Y 27 " (cutoff:3.500A) Processing helix chain 'Y' and resid 32 through 37 removed outlier: 4.821A pdb=" N PHE Y 36 " --> pdb=" O TYR Y 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL Y 37 " --> pdb=" O GLY Y 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'Y' and resid 32 through 37' Processing helix chain 'Y' and resid 85 through 95 removed outlier: 3.781A pdb=" N LEU Y 89 " --> pdb=" O ASP Y 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU Y 92 " --> pdb=" O GLU Y 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU Y 93 " --> pdb=" O LEU Y 89 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ARG Y 94 " --> pdb=" O ASP Y 90 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLY Y 95 " --> pdb=" O ASN Y 91 " (cutoff:3.500A) Processing helix chain 'Y' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU Y 105 " --> pdb=" O LEU Y 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU Y 106 " --> pdb=" O SER Y 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR Y 107 " --> pdb=" O SER Y 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS Y 110 " --> pdb=" O GLU Y 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA Y 112 " --> pdb=" O VAL Y 108 " (cutoff:3.500A) Processing helix chain 'Y' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU Y 148 " --> pdb=" O THR Y 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU Y 149 " --> pdb=" O PRO Y 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU Y 150 " --> pdb=" O LYS Y 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL Y 153 " --> pdb=" O LEU Y 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE Y 158 " --> pdb=" O ARG Y 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP Y 162 " --> pdb=" O ILE Y 158 " (cutoff:3.500A) removed outlier: 4.475A pdb=" N GLY Y 163 " --> pdb=" O PHE Y 159 " (cutoff:3.500A) Processing helix chain 'Y' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP Y 177 " --> pdb=" O ASN Y 173 " (cutoff:3.500A) removed outlier: 4.043A pdb=" N ILE Y 178 " --> pdb=" O THR Y 174 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N ASN Y 179 " --> pdb=" O ASP Y 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE Y 180 " --> pdb=" O ARG Y 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU Y 181 " --> pdb=" O TRP Y 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'Y' and resid 173 through 181' Processing helix chain 'Y' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL Y 187 " --> pdb=" O ASP Y 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG Y 192 " --> pdb=" O GLU Y 188 " (cutoff:3.500A) Processing helix chain 'Z' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP Z 16 " --> pdb=" O THR Z 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU Z 25 " --> pdb=" O ASN Z 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE Z 26 " --> pdb=" O ARG Z 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU Z 31 " --> pdb=" O PHE Z 27 " (cutoff:3.500A) Processing helix chain 'Z' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE Z 36 " --> pdb=" O TYR Z 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL Z 37 " --> pdb=" O GLY Z 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'Z' and resid 32 through 37' Processing helix chain 'Z' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU Z 89 " --> pdb=" O ASP Z 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU Z 92 " --> pdb=" O GLU Z 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU Z 93 " --> pdb=" O LEU Z 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG Z 94 " --> pdb=" O ASP Z 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY Z 95 " --> pdb=" O ASN Z 91 " (cutoff:3.500A) Processing helix chain 'Z' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU Z 105 " --> pdb=" O LEU Z 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU Z 106 " --> pdb=" O SER Z 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR Z 107 " --> pdb=" O SER Z 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS Z 110 " --> pdb=" O GLU Z 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA Z 112 " --> pdb=" O VAL Z 108 " (cutoff:3.500A) Processing helix chain 'Z' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU Z 148 " --> pdb=" O THR Z 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU Z 149 " --> pdb=" O PRO Z 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU Z 150 " --> pdb=" O LYS Z 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL Z 153 " --> pdb=" O LEU Z 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE Z 158 " --> pdb=" O ARG Z 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP Z 162 " --> pdb=" O ILE Z 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY Z 163 " --> pdb=" O PHE Z 159 " (cutoff:3.500A) Processing helix chain 'Z' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP Z 177 " --> pdb=" O ASN Z 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE Z 178 " --> pdb=" O THR Z 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN Z 179 " --> pdb=" O ASP Z 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE Z 180 " --> pdb=" O ARG Z 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU Z 181 " --> pdb=" O TRP Z 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'Z' and resid 173 through 181' Processing helix chain 'Z' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL Z 187 " --> pdb=" O ASP Z 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG Z 192 " --> pdb=" O GLU Z 188 " (cutoff:3.500A) Processing helix chain '0' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP 0 16 " --> pdb=" O THR 0 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU 0 25 " --> pdb=" O ASN 0 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE 0 26 " --> pdb=" O ARG 0 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU 0 31 " --> pdb=" O PHE 0 27 " (cutoff:3.500A) Processing helix chain '0' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE 0 36 " --> pdb=" O TYR 0 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL 0 37 " --> pdb=" O GLY 0 33 " (cutoff:3.500A) No H-bonds generated for 'chain '0' and resid 32 through 37' Processing helix chain '0' and resid 85 through 95 removed outlier: 3.783A pdb=" N LEU 0 89 " --> pdb=" O ASP 0 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU 0 92 " --> pdb=" O GLU 0 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU 0 93 " --> pdb=" O LEU 0 89 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ARG 0 94 " --> pdb=" O ASP 0 90 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLY 0 95 " --> pdb=" O ASN 0 91 " (cutoff:3.500A) Processing helix chain '0' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU 0 105 " --> pdb=" O LEU 0 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU 0 106 " --> pdb=" O SER 0 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR 0 107 " --> pdb=" O SER 0 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS 0 110 " --> pdb=" O GLU 0 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA 0 112 " --> pdb=" O VAL 0 108 " (cutoff:3.500A) Processing helix chain '0' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU 0 148 " --> pdb=" O THR 0 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU 0 149 " --> pdb=" O PRO 0 145 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N GLU 0 150 " --> pdb=" O LYS 0 146 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N VAL 0 153 " --> pdb=" O LEU 0 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE 0 158 " --> pdb=" O ARG 0 154 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ASP 0 162 " --> pdb=" O ILE 0 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY 0 163 " --> pdb=" O PHE 0 159 " (cutoff:3.500A) Processing helix chain '0' and resid 173 through 181 removed outlier: 3.707A pdb=" N TRP 0 177 " --> pdb=" O ASN 0 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE 0 178 " --> pdb=" O THR 0 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN 0 179 " --> pdb=" O ASP 0 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE 0 180 " --> pdb=" O ARG 0 176 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEU 0 181 " --> pdb=" O TRP 0 177 " (cutoff:3.500A) No H-bonds generated for 'chain '0' and resid 173 through 181' Processing helix chain '0' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL 0 187 " --> pdb=" O ASP 0 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG 0 192 " --> pdb=" O GLU 0 188 " (cutoff:3.500A) Processing helix chain '1' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP 1 16 " --> pdb=" O THR 1 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU 1 25 " --> pdb=" O ASN 1 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE 1 26 " --> pdb=" O ARG 1 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU 1 31 " --> pdb=" O PHE 1 27 " (cutoff:3.500A) Processing helix chain '1' and resid 32 through 37 removed outlier: 4.821A pdb=" N PHE 1 36 " --> pdb=" O TYR 1 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL 1 37 " --> pdb=" O GLY 1 33 " (cutoff:3.500A) No H-bonds generated for 'chain '1' and resid 32 through 37' Processing helix chain '1' and resid 85 through 95 removed outlier: 3.781A pdb=" N LEU 1 89 " --> pdb=" O ASP 1 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU 1 92 " --> pdb=" O GLU 1 88 " (cutoff:3.500A) removed outlier: 5.063A pdb=" N GLU 1 93 " --> pdb=" O LEU 1 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG 1 94 " --> pdb=" O ASP 1 90 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLY 1 95 " --> pdb=" O ASN 1 91 " (cutoff:3.500A) Processing helix chain '1' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU 1 105 " --> pdb=" O LEU 1 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU 1 106 " --> pdb=" O SER 1 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR 1 107 " --> pdb=" O SER 1 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS 1 110 " --> pdb=" O GLU 1 106 " (cutoff:3.500A) removed outlier: 3.861A pdb=" N ALA 1 112 " --> pdb=" O VAL 1 108 " (cutoff:3.500A) Processing helix chain '1' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU 1 148 " --> pdb=" O THR 1 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU 1 149 " --> pdb=" O PRO 1 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU 1 150 " --> pdb=" O LYS 1 146 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N VAL 1 153 " --> pdb=" O LEU 1 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE 1 158 " --> pdb=" O ARG 1 154 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ASP 1 162 " --> pdb=" O ILE 1 158 " (cutoff:3.500A) removed outlier: 4.475A pdb=" N GLY 1 163 " --> pdb=" O PHE 1 159 " (cutoff:3.500A) Processing helix chain '1' and resid 173 through 181 removed outlier: 3.707A pdb=" N TRP 1 177 " --> pdb=" O ASN 1 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE 1 178 " --> pdb=" O THR 1 174 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N ASN 1 179 " --> pdb=" O ASP 1 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE 1 180 " --> pdb=" O ARG 1 176 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEU 1 181 " --> pdb=" O TRP 1 177 " (cutoff:3.500A) No H-bonds generated for 'chain '1' and resid 173 through 181' Processing helix chain '1' and resid 183 through 192 removed outlier: 5.272A pdb=" N VAL 1 187 " --> pdb=" O ASP 1 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG 1 192 " --> pdb=" O GLU 1 188 " (cutoff:3.500A) Processing helix chain '2' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP 2 16 " --> pdb=" O THR 2 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU 2 25 " --> pdb=" O ASN 2 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE 2 26 " --> pdb=" O ARG 2 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU 2 31 " --> pdb=" O PHE 2 27 " (cutoff:3.500A) Processing helix chain '2' and resid 32 through 37 removed outlier: 4.821A pdb=" N PHE 2 36 " --> pdb=" O TYR 2 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL 2 37 " --> pdb=" O GLY 2 33 " (cutoff:3.500A) No H-bonds generated for 'chain '2' and resid 32 through 37' Processing helix chain '2' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU 2 89 " --> pdb=" O ASP 2 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU 2 92 " --> pdb=" O GLU 2 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU 2 93 " --> pdb=" O LEU 2 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG 2 94 " --> pdb=" O ASP 2 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY 2 95 " --> pdb=" O ASN 2 91 " (cutoff:3.500A) Processing helix chain '2' and resid 101 through 121 removed outlier: 4.773A pdb=" N GLU 2 105 " --> pdb=" O LEU 2 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU 2 106 " --> pdb=" O SER 2 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR 2 107 " --> pdb=" O SER 2 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS 2 110 " --> pdb=" O GLU 2 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA 2 112 " --> pdb=" O VAL 2 108 " (cutoff:3.500A) Processing helix chain '2' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU 2 148 " --> pdb=" O THR 2 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU 2 149 " --> pdb=" O PRO 2 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU 2 150 " --> pdb=" O LYS 2 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL 2 153 " --> pdb=" O LEU 2 149 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N ILE 2 158 " --> pdb=" O ARG 2 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP 2 162 " --> pdb=" O ILE 2 158 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N GLY 2 163 " --> pdb=" O PHE 2 159 " (cutoff:3.500A) Processing helix chain '2' and resid 173 through 181 removed outlier: 3.705A pdb=" N TRP 2 177 " --> pdb=" O ASN 2 173 " (cutoff:3.500A) removed outlier: 4.043A pdb=" N ILE 2 178 " --> pdb=" O THR 2 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN 2 179 " --> pdb=" O ASP 2 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE 2 180 " --> pdb=" O ARG 2 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU 2 181 " --> pdb=" O TRP 2 177 " (cutoff:3.500A) No H-bonds generated for 'chain '2' and resid 173 through 181' Processing helix chain '2' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL 2 187 " --> pdb=" O ASP 2 183 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N ARG 2 192 " --> pdb=" O GLU 2 188 " (cutoff:3.500A) Processing helix chain '3' and resid 12 through 31 removed outlier: 3.659A pdb=" N TRP 3 16 " --> pdb=" O THR 3 12 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N GLU 3 25 " --> pdb=" O ASN 3 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE 3 26 " --> pdb=" O ARG 3 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU 3 31 " --> pdb=" O PHE 3 27 " (cutoff:3.500A) Processing helix chain '3' and resid 32 through 37 removed outlier: 4.821A pdb=" N PHE 3 36 " --> pdb=" O TYR 3 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL 3 37 " --> pdb=" O GLY 3 33 " (cutoff:3.500A) No H-bonds generated for 'chain '3' and resid 32 through 37' Processing helix chain '3' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU 3 89 " --> pdb=" O ASP 3 85 " (cutoff:3.500A) removed outlier: 4.177A pdb=" N LEU 3 92 " --> pdb=" O GLU 3 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU 3 93 " --> pdb=" O LEU 3 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG 3 94 " --> pdb=" O ASP 3 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY 3 95 " --> pdb=" O ASN 3 91 " (cutoff:3.500A) Processing helix chain '3' and resid 101 through 121 removed outlier: 4.773A pdb=" N GLU 3 105 " --> pdb=" O LEU 3 101 " (cutoff:3.500A) removed outlier: 4.806A pdb=" N GLU 3 106 " --> pdb=" O SER 3 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR 3 107 " --> pdb=" O SER 3 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS 3 110 " --> pdb=" O GLU 3 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA 3 112 " --> pdb=" O VAL 3 108 " (cutoff:3.500A) Processing helix chain '3' and resid 144 through 163 removed outlier: 4.329A pdb=" N LEU 3 148 " --> pdb=" O THR 3 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU 3 149 " --> pdb=" O PRO 3 145 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLU 3 150 " --> pdb=" O LYS 3 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL 3 153 " --> pdb=" O LEU 3 149 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N ILE 3 158 " --> pdb=" O ARG 3 154 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ASP 3 162 " --> pdb=" O ILE 3 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY 3 163 " --> pdb=" O PHE 3 159 " (cutoff:3.500A) Processing helix chain '3' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP 3 177 " --> pdb=" O ASN 3 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE 3 178 " --> pdb=" O THR 3 174 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N ASN 3 179 " --> pdb=" O ASP 3 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE 3 180 " --> pdb=" O ARG 3 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU 3 181 " --> pdb=" O TRP 3 177 " (cutoff:3.500A) No H-bonds generated for 'chain '3' and resid 173 through 181' Processing helix chain '3' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL 3 187 " --> pdb=" O ASP 3 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG 3 192 " --> pdb=" O GLU 3 188 " (cutoff:3.500A) Processing helix chain '4' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP 4 16 " --> pdb=" O THR 4 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU 4 25 " --> pdb=" O ASN 4 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE 4 26 " --> pdb=" O ARG 4 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU 4 31 " --> pdb=" O PHE 4 27 " (cutoff:3.500A) Processing helix chain '4' and resid 32 through 37 removed outlier: 4.819A pdb=" N PHE 4 36 " --> pdb=" O TYR 4 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL 4 37 " --> pdb=" O GLY 4 33 " (cutoff:3.500A) No H-bonds generated for 'chain '4' and resid 32 through 37' Processing helix chain '4' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU 4 89 " --> pdb=" O ASP 4 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU 4 92 " --> pdb=" O GLU 4 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU 4 93 " --> pdb=" O LEU 4 89 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ARG 4 94 " --> pdb=" O ASP 4 90 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLY 4 95 " --> pdb=" O ASN 4 91 " (cutoff:3.500A) Processing helix chain '4' and resid 101 through 121 removed outlier: 4.773A pdb=" N GLU 4 105 " --> pdb=" O LEU 4 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU 4 106 " --> pdb=" O SER 4 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR 4 107 " --> pdb=" O SER 4 103 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N LYS 4 110 " --> pdb=" O GLU 4 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA 4 112 " --> pdb=" O VAL 4 108 " (cutoff:3.500A) Processing helix chain '4' and resid 144 through 163 removed outlier: 4.329A pdb=" N LEU 4 148 " --> pdb=" O THR 4 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU 4 149 " --> pdb=" O PRO 4 145 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N GLU 4 150 " --> pdb=" O LYS 4 146 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N VAL 4 153 " --> pdb=" O LEU 4 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE 4 158 " --> pdb=" O ARG 4 154 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ASP 4 162 " --> pdb=" O ILE 4 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY 4 163 " --> pdb=" O PHE 4 159 " (cutoff:3.500A) Processing helix chain '4' and resid 173 through 181 removed outlier: 3.707A pdb=" N TRP 4 177 " --> pdb=" O ASN 4 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE 4 178 " --> pdb=" O THR 4 174 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N ASN 4 179 " --> pdb=" O ASP 4 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE 4 180 " --> pdb=" O ARG 4 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU 4 181 " --> pdb=" O TRP 4 177 " (cutoff:3.500A) No H-bonds generated for 'chain '4' and resid 173 through 181' Processing helix chain '4' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL 4 187 " --> pdb=" O ASP 4 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG 4 192 " --> pdb=" O GLU 4 188 " (cutoff:3.500A) Processing helix chain '5' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP 5 16 " --> pdb=" O THR 5 12 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N GLU 5 25 " --> pdb=" O ASN 5 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE 5 26 " --> pdb=" O ARG 5 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU 5 31 " --> pdb=" O PHE 5 27 " (cutoff:3.500A) Processing helix chain '5' and resid 32 through 37 removed outlier: 4.819A pdb=" N PHE 5 36 " --> pdb=" O TYR 5 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL 5 37 " --> pdb=" O GLY 5 33 " (cutoff:3.500A) No H-bonds generated for 'chain '5' and resid 32 through 37' Processing helix chain '5' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU 5 89 " --> pdb=" O ASP 5 85 " (cutoff:3.500A) removed outlier: 4.177A pdb=" N LEU 5 92 " --> pdb=" O GLU 5 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU 5 93 " --> pdb=" O LEU 5 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG 5 94 " --> pdb=" O ASP 5 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY 5 95 " --> pdb=" O ASN 5 91 " (cutoff:3.500A) Processing helix chain '5' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU 5 105 " --> pdb=" O LEU 5 101 " (cutoff:3.500A) removed outlier: 4.804A pdb=" N GLU 5 106 " --> pdb=" O SER 5 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR 5 107 " --> pdb=" O SER 5 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS 5 110 " --> pdb=" O GLU 5 106 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N ALA 5 112 " --> pdb=" O VAL 5 108 " (cutoff:3.500A) Processing helix chain '5' and resid 144 through 163 removed outlier: 4.329A pdb=" N LEU 5 148 " --> pdb=" O THR 5 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU 5 149 " --> pdb=" O PRO 5 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU 5 150 " --> pdb=" O LYS 5 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL 5 153 " --> pdb=" O LEU 5 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE 5 158 " --> pdb=" O ARG 5 154 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ASP 5 162 " --> pdb=" O ILE 5 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY 5 163 " --> pdb=" O PHE 5 159 " (cutoff:3.500A) Processing helix chain '5' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP 5 177 " --> pdb=" O ASN 5 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE 5 178 " --> pdb=" O THR 5 174 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N ASN 5 179 " --> pdb=" O ASP 5 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE 5 180 " --> pdb=" O ARG 5 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU 5 181 " --> pdb=" O TRP 5 177 " (cutoff:3.500A) No H-bonds generated for 'chain '5' and resid 173 through 181' Processing helix chain '5' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL 5 187 " --> pdb=" O ASP 5 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG 5 192 " --> pdb=" O GLU 5 188 " (cutoff:3.500A) Processing helix chain '6' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP 6 16 " --> pdb=" O THR 6 12 " (cutoff:3.500A) removed outlier: 4.056A pdb=" N GLU 6 25 " --> pdb=" O ASN 6 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE 6 26 " --> pdb=" O ARG 6 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU 6 31 " --> pdb=" O PHE 6 27 " (cutoff:3.500A) Processing helix chain '6' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE 6 36 " --> pdb=" O TYR 6 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL 6 37 " --> pdb=" O GLY 6 33 " (cutoff:3.500A) No H-bonds generated for 'chain '6' and resid 32 through 37' Processing helix chain '6' and resid 85 through 95 removed outlier: 3.781A pdb=" N LEU 6 89 " --> pdb=" O ASP 6 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU 6 92 " --> pdb=" O GLU 6 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU 6 93 " --> pdb=" O LEU 6 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG 6 94 " --> pdb=" O ASP 6 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY 6 95 " --> pdb=" O ASN 6 91 " (cutoff:3.500A) Processing helix chain '6' and resid 101 through 121 removed outlier: 4.773A pdb=" N GLU 6 105 " --> pdb=" O LEU 6 101 " (cutoff:3.500A) removed outlier: 4.806A pdb=" N GLU 6 106 " --> pdb=" O SER 6 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR 6 107 " --> pdb=" O SER 6 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS 6 110 " --> pdb=" O GLU 6 106 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N ALA 6 112 " --> pdb=" O VAL 6 108 " (cutoff:3.500A) Processing helix chain '6' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU 6 148 " --> pdb=" O THR 6 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU 6 149 " --> pdb=" O PRO 6 145 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLU 6 150 " --> pdb=" O LYS 6 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL 6 153 " --> pdb=" O LEU 6 149 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N ILE 6 158 " --> pdb=" O ARG 6 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP 6 162 " --> pdb=" O ILE 6 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY 6 163 " --> pdb=" O PHE 6 159 " (cutoff:3.500A) Processing helix chain '6' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP 6 177 " --> pdb=" O ASN 6 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE 6 178 " --> pdb=" O THR 6 174 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N ASN 6 179 " --> pdb=" O ASP 6 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE 6 180 " --> pdb=" O ARG 6 176 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N LEU 6 181 " --> pdb=" O TRP 6 177 " (cutoff:3.500A) No H-bonds generated for 'chain '6' and resid 173 through 181' Processing helix chain '6' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL 6 187 " --> pdb=" O ASP 6 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG 6 192 " --> pdb=" O GLU 6 188 " (cutoff:3.500A) Processing helix chain '7' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP 7 16 " --> pdb=" O THR 7 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU 7 25 " --> pdb=" O ASN 7 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE 7 26 " --> pdb=" O ARG 7 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU 7 31 " --> pdb=" O PHE 7 27 " (cutoff:3.500A) Processing helix chain '7' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE 7 36 " --> pdb=" O TYR 7 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL 7 37 " --> pdb=" O GLY 7 33 " (cutoff:3.500A) No H-bonds generated for 'chain '7' and resid 32 through 37' Processing helix chain '7' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU 7 89 " --> pdb=" O ASP 7 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU 7 92 " --> pdb=" O GLU 7 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU 7 93 " --> pdb=" O LEU 7 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG 7 94 " --> pdb=" O ASP 7 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY 7 95 " --> pdb=" O ASN 7 91 " (cutoff:3.500A) Processing helix chain '7' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU 7 105 " --> pdb=" O LEU 7 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU 7 106 " --> pdb=" O SER 7 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR 7 107 " --> pdb=" O SER 7 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS 7 110 " --> pdb=" O GLU 7 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA 7 112 " --> pdb=" O VAL 7 108 " (cutoff:3.500A) Processing helix chain '7' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU 7 148 " --> pdb=" O THR 7 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU 7 149 " --> pdb=" O PRO 7 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU 7 150 " --> pdb=" O LYS 7 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL 7 153 " --> pdb=" O LEU 7 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE 7 158 " --> pdb=" O ARG 7 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP 7 162 " --> pdb=" O ILE 7 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY 7 163 " --> pdb=" O PHE 7 159 " (cutoff:3.500A) Processing helix chain '7' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP 7 177 " --> pdb=" O ASN 7 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE 7 178 " --> pdb=" O THR 7 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN 7 179 " --> pdb=" O ASP 7 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE 7 180 " --> pdb=" O ARG 7 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU 7 181 " --> pdb=" O TRP 7 177 " (cutoff:3.500A) No H-bonds generated for 'chain '7' and resid 173 through 181' Processing helix chain '7' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL 7 187 " --> pdb=" O ASP 7 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG 7 192 " --> pdb=" O GLU 7 188 " (cutoff:3.500A) Processing helix chain '8' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP 8 16 " --> pdb=" O THR 8 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU 8 25 " --> pdb=" O ASN 8 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE 8 26 " --> pdb=" O ARG 8 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU 8 31 " --> pdb=" O PHE 8 27 " (cutoff:3.500A) Processing helix chain '8' and resid 32 through 37 removed outlier: 4.819A pdb=" N PHE 8 36 " --> pdb=" O TYR 8 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL 8 37 " --> pdb=" O GLY 8 33 " (cutoff:3.500A) No H-bonds generated for 'chain '8' and resid 32 through 37' Processing helix chain '8' and resid 85 through 95 removed outlier: 3.781A pdb=" N LEU 8 89 " --> pdb=" O ASP 8 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU 8 92 " --> pdb=" O GLU 8 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU 8 93 " --> pdb=" O LEU 8 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG 8 94 " --> pdb=" O ASP 8 90 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLY 8 95 " --> pdb=" O ASN 8 91 " (cutoff:3.500A) Processing helix chain '8' and resid 101 through 121 removed outlier: 4.773A pdb=" N GLU 8 105 " --> pdb=" O LEU 8 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU 8 106 " --> pdb=" O SER 8 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR 8 107 " --> pdb=" O SER 8 103 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N LYS 8 110 " --> pdb=" O GLU 8 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA 8 112 " --> pdb=" O VAL 8 108 " (cutoff:3.500A) Processing helix chain '8' and resid 144 through 163 removed outlier: 4.329A pdb=" N LEU 8 148 " --> pdb=" O THR 8 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU 8 149 " --> pdb=" O PRO 8 145 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N GLU 8 150 " --> pdb=" O LYS 8 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL 8 153 " --> pdb=" O LEU 8 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE 8 158 " --> pdb=" O ARG 8 154 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ASP 8 162 " --> pdb=" O ILE 8 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY 8 163 " --> pdb=" O PHE 8 159 " (cutoff:3.500A) Processing helix chain '8' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP 8 177 " --> pdb=" O ASN 8 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE 8 178 " --> pdb=" O THR 8 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN 8 179 " --> pdb=" O ASP 8 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE 8 180 " --> pdb=" O ARG 8 176 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEU 8 181 " --> pdb=" O TRP 8 177 " (cutoff:3.500A) No H-bonds generated for 'chain '8' and resid 173 through 181' Processing helix chain '8' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL 8 187 " --> pdb=" O ASP 8 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG 8 192 " --> pdb=" O GLU 8 188 " (cutoff:3.500A) Processing helix chain '9' and resid 12 through 31 removed outlier: 3.659A pdb=" N TRP 9 16 " --> pdb=" O THR 9 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU 9 25 " --> pdb=" O ASN 9 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE 9 26 " --> pdb=" O ARG 9 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU 9 31 " --> pdb=" O PHE 9 27 " (cutoff:3.500A) Processing helix chain '9' and resid 32 through 37 removed outlier: 4.819A pdb=" N PHE 9 36 " --> pdb=" O TYR 9 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL 9 37 " --> pdb=" O GLY 9 33 " (cutoff:3.500A) No H-bonds generated for 'chain '9' and resid 32 through 37' Processing helix chain '9' and resid 85 through 95 removed outlier: 3.781A pdb=" N LEU 9 89 " --> pdb=" O ASP 9 85 " (cutoff:3.500A) removed outlier: 4.177A pdb=" N LEU 9 92 " --> pdb=" O GLU 9 88 " (cutoff:3.500A) removed outlier: 5.063A pdb=" N GLU 9 93 " --> pdb=" O LEU 9 89 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ARG 9 94 " --> pdb=" O ASP 9 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY 9 95 " --> pdb=" O ASN 9 91 " (cutoff:3.500A) Processing helix chain '9' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU 9 105 " --> pdb=" O LEU 9 101 " (cutoff:3.500A) removed outlier: 4.804A pdb=" N GLU 9 106 " --> pdb=" O SER 9 102 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N THR 9 107 " --> pdb=" O SER 9 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS 9 110 " --> pdb=" O GLU 9 106 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N ALA 9 112 " --> pdb=" O VAL 9 108 " (cutoff:3.500A) Processing helix chain '9' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU 9 148 " --> pdb=" O THR 9 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU 9 149 " --> pdb=" O PRO 9 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU 9 150 " --> pdb=" O LYS 9 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL 9 153 " --> pdb=" O LEU 9 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE 9 158 " --> pdb=" O ARG 9 154 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ASP 9 162 " --> pdb=" O ILE 9 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY 9 163 " --> pdb=" O PHE 9 159 " (cutoff:3.500A) Processing helix chain '9' and resid 173 through 181 removed outlier: 3.707A pdb=" N TRP 9 177 " --> pdb=" O ASN 9 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE 9 178 " --> pdb=" O THR 9 174 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N ASN 9 179 " --> pdb=" O ASP 9 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE 9 180 " --> pdb=" O ARG 9 176 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEU 9 181 " --> pdb=" O TRP 9 177 " (cutoff:3.500A) No H-bonds generated for 'chain '9' and resid 173 through 181' Processing helix chain '9' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL 9 187 " --> pdb=" O ASP 9 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG 9 192 " --> pdb=" O GLU 9 188 " (cutoff:3.500A) Processing helix chain 'a' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP a 16 " --> pdb=" O THR a 12 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N GLU a 25 " --> pdb=" O ASN a 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE a 26 " --> pdb=" O ARG a 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU a 31 " --> pdb=" O PHE a 27 " (cutoff:3.500A) Processing helix chain 'a' and resid 32 through 37 removed outlier: 4.821A pdb=" N PHE a 36 " --> pdb=" O TYR a 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL a 37 " --> pdb=" O GLY a 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'a' and resid 32 through 37' Processing helix chain 'a' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU a 89 " --> pdb=" O ASP a 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU a 92 " --> pdb=" O GLU a 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU a 93 " --> pdb=" O LEU a 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG a 94 " --> pdb=" O ASP a 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY a 95 " --> pdb=" O ASN a 91 " (cutoff:3.500A) Processing helix chain 'a' and resid 101 through 121 removed outlier: 4.773A pdb=" N GLU a 105 " --> pdb=" O LEU a 101 " (cutoff:3.500A) removed outlier: 4.806A pdb=" N GLU a 106 " --> pdb=" O SER a 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR a 107 " --> pdb=" O SER a 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS a 110 " --> pdb=" O GLU a 106 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N ALA a 112 " --> pdb=" O VAL a 108 " (cutoff:3.500A) Processing helix chain 'a' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU a 148 " --> pdb=" O THR a 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU a 149 " --> pdb=" O PRO a 145 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLU a 150 " --> pdb=" O LYS a 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL a 153 " --> pdb=" O LEU a 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE a 158 " --> pdb=" O ARG a 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP a 162 " --> pdb=" O ILE a 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY a 163 " --> pdb=" O PHE a 159 " (cutoff:3.500A) Processing helix chain 'a' and resid 173 through 181 removed outlier: 3.707A pdb=" N TRP a 177 " --> pdb=" O ASN a 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE a 178 " --> pdb=" O THR a 174 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N ASN a 179 " --> pdb=" O ASP a 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE a 180 " --> pdb=" O ARG a 176 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEU a 181 " --> pdb=" O TRP a 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'a' and resid 173 through 181' Processing helix chain 'a' and resid 183 through 192 removed outlier: 5.272A pdb=" N VAL a 187 " --> pdb=" O ASP a 183 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N ARG a 192 " --> pdb=" O GLU a 188 " (cutoff:3.500A) Processing helix chain 'b' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP b 16 " --> pdb=" O THR b 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU b 25 " --> pdb=" O ASN b 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE b 26 " --> pdb=" O ARG b 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU b 31 " --> pdb=" O PHE b 27 " (cutoff:3.500A) Processing helix chain 'b' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE b 36 " --> pdb=" O TYR b 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL b 37 " --> pdb=" O GLY b 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'b' and resid 32 through 37' Processing helix chain 'b' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU b 89 " --> pdb=" O ASP b 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU b 92 " --> pdb=" O GLU b 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU b 93 " --> pdb=" O LEU b 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG b 94 " --> pdb=" O ASP b 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY b 95 " --> pdb=" O ASN b 91 " (cutoff:3.500A) Processing helix chain 'b' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU b 105 " --> pdb=" O LEU b 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU b 106 " --> pdb=" O SER b 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR b 107 " --> pdb=" O SER b 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS b 110 " --> pdb=" O GLU b 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA b 112 " --> pdb=" O VAL b 108 " (cutoff:3.500A) Processing helix chain 'b' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU b 148 " --> pdb=" O THR b 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU b 149 " --> pdb=" O PRO b 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU b 150 " --> pdb=" O LYS b 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL b 153 " --> pdb=" O LEU b 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE b 158 " --> pdb=" O ARG b 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP b 162 " --> pdb=" O ILE b 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY b 163 " --> pdb=" O PHE b 159 " (cutoff:3.500A) Processing helix chain 'b' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP b 177 " --> pdb=" O ASN b 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE b 178 " --> pdb=" O THR b 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN b 179 " --> pdb=" O ASP b 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE b 180 " --> pdb=" O ARG b 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU b 181 " --> pdb=" O TRP b 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'b' and resid 173 through 181' Processing helix chain 'b' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL b 187 " --> pdb=" O ASP b 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG b 192 " --> pdb=" O GLU b 188 " (cutoff:3.500A) Processing helix chain 'c' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP c 16 " --> pdb=" O THR c 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU c 25 " --> pdb=" O ASN c 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE c 26 " --> pdb=" O ARG c 22 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N LEU c 31 " --> pdb=" O PHE c 27 " (cutoff:3.500A) Processing helix chain 'c' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE c 36 " --> pdb=" O TYR c 32 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N VAL c 37 " --> pdb=" O GLY c 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'c' and resid 32 through 37' Processing helix chain 'c' and resid 85 through 95 removed outlier: 3.781A pdb=" N LEU c 89 " --> pdb=" O ASP c 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU c 92 " --> pdb=" O GLU c 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU c 93 " --> pdb=" O LEU c 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG c 94 " --> pdb=" O ASP c 90 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLY c 95 " --> pdb=" O ASN c 91 " (cutoff:3.500A) Processing helix chain 'c' and resid 101 through 121 removed outlier: 4.773A pdb=" N GLU c 105 " --> pdb=" O LEU c 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU c 106 " --> pdb=" O SER c 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR c 107 " --> pdb=" O SER c 103 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N LYS c 110 " --> pdb=" O GLU c 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA c 112 " --> pdb=" O VAL c 108 " (cutoff:3.500A) Processing helix chain 'c' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU c 148 " --> pdb=" O THR c 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU c 149 " --> pdb=" O PRO c 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU c 150 " --> pdb=" O LYS c 146 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N VAL c 153 " --> pdb=" O LEU c 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE c 158 " --> pdb=" O ARG c 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP c 162 " --> pdb=" O ILE c 158 " (cutoff:3.500A) removed outlier: 4.475A pdb=" N GLY c 163 " --> pdb=" O PHE c 159 " (cutoff:3.500A) Processing helix chain 'c' and resid 173 through 181 removed outlier: 3.705A pdb=" N TRP c 177 " --> pdb=" O ASN c 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE c 178 " --> pdb=" O THR c 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN c 179 " --> pdb=" O ASP c 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE c 180 " --> pdb=" O ARG c 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU c 181 " --> pdb=" O TRP c 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'c' and resid 173 through 181' Processing helix chain 'c' and resid 183 through 192 removed outlier: 5.272A pdb=" N VAL c 187 " --> pdb=" O ASP c 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG c 192 " --> pdb=" O GLU c 188 " (cutoff:3.500A) Processing helix chain 'd' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP d 16 " --> pdb=" O THR d 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU d 25 " --> pdb=" O ASN d 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE d 26 " --> pdb=" O ARG d 22 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N LEU d 31 " --> pdb=" O PHE d 27 " (cutoff:3.500A) Processing helix chain 'd' and resid 32 through 37 removed outlier: 4.819A pdb=" N PHE d 36 " --> pdb=" O TYR d 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL d 37 " --> pdb=" O GLY d 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'd' and resid 32 through 37' Processing helix chain 'd' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU d 89 " --> pdb=" O ASP d 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU d 92 " --> pdb=" O GLU d 88 " (cutoff:3.500A) removed outlier: 5.063A pdb=" N GLU d 93 " --> pdb=" O LEU d 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG d 94 " --> pdb=" O ASP d 90 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLY d 95 " --> pdb=" O ASN d 91 " (cutoff:3.500A) Processing helix chain 'd' and resid 101 through 121 removed outlier: 4.773A pdb=" N GLU d 105 " --> pdb=" O LEU d 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU d 106 " --> pdb=" O SER d 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR d 107 " --> pdb=" O SER d 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS d 110 " --> pdb=" O GLU d 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA d 112 " --> pdb=" O VAL d 108 " (cutoff:3.500A) Processing helix chain 'd' and resid 144 through 163 removed outlier: 4.329A pdb=" N LEU d 148 " --> pdb=" O THR d 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU d 149 " --> pdb=" O PRO d 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU d 150 " --> pdb=" O LYS d 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL d 153 " --> pdb=" O LEU d 149 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N ILE d 158 " --> pdb=" O ARG d 154 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ASP d 162 " --> pdb=" O ILE d 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY d 163 " --> pdb=" O PHE d 159 " (cutoff:3.500A) Processing helix chain 'd' and resid 173 through 181 removed outlier: 3.705A pdb=" N TRP d 177 " --> pdb=" O ASN d 173 " (cutoff:3.500A) removed outlier: 4.043A pdb=" N ILE d 178 " --> pdb=" O THR d 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN d 179 " --> pdb=" O ASP d 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE d 180 " --> pdb=" O ARG d 176 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEU d 181 " --> pdb=" O TRP d 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'd' and resid 173 through 181' Processing helix chain 'd' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL d 187 " --> pdb=" O ASP d 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG d 192 " --> pdb=" O GLU d 188 " (cutoff:3.500A) Processing helix chain 'e' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP e 16 " --> pdb=" O THR e 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU e 25 " --> pdb=" O ASN e 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE e 26 " --> pdb=" O ARG e 22 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N LEU e 31 " --> pdb=" O PHE e 27 " (cutoff:3.500A) Processing helix chain 'e' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE e 36 " --> pdb=" O TYR e 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL e 37 " --> pdb=" O GLY e 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'e' and resid 32 through 37' Processing helix chain 'e' and resid 85 through 95 removed outlier: 3.781A pdb=" N LEU e 89 " --> pdb=" O ASP e 85 " (cutoff:3.500A) removed outlier: 4.177A pdb=" N LEU e 92 " --> pdb=" O GLU e 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU e 93 " --> pdb=" O LEU e 89 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ARG e 94 " --> pdb=" O ASP e 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY e 95 " --> pdb=" O ASN e 91 " (cutoff:3.500A) Processing helix chain 'e' and resid 101 through 121 removed outlier: 4.773A pdb=" N GLU e 105 " --> pdb=" O LEU e 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU e 106 " --> pdb=" O SER e 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR e 107 " --> pdb=" O SER e 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS e 110 " --> pdb=" O GLU e 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA e 112 " --> pdb=" O VAL e 108 " (cutoff:3.500A) Processing helix chain 'e' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU e 148 " --> pdb=" O THR e 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU e 149 " --> pdb=" O PRO e 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU e 150 " --> pdb=" O LYS e 146 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N VAL e 153 " --> pdb=" O LEU e 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE e 158 " --> pdb=" O ARG e 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP e 162 " --> pdb=" O ILE e 158 " (cutoff:3.500A) removed outlier: 4.475A pdb=" N GLY e 163 " --> pdb=" O PHE e 159 " (cutoff:3.500A) Processing helix chain 'e' and resid 173 through 181 removed outlier: 3.707A pdb=" N TRP e 177 " --> pdb=" O ASN e 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE e 178 " --> pdb=" O THR e 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN e 179 " --> pdb=" O ASP e 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE e 180 " --> pdb=" O ARG e 176 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEU e 181 " --> pdb=" O TRP e 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'e' and resid 173 through 181' Processing helix chain 'e' and resid 183 through 192 removed outlier: 5.272A pdb=" N VAL e 187 " --> pdb=" O ASP e 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG e 192 " --> pdb=" O GLU e 188 " (cutoff:3.500A) Processing helix chain 'f' and resid 12 through 31 removed outlier: 3.659A pdb=" N TRP f 16 " --> pdb=" O THR f 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU f 25 " --> pdb=" O ASN f 21 " (cutoff:3.500A) removed outlier: 4.252A pdb=" N ILE f 26 " --> pdb=" O ARG f 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU f 31 " --> pdb=" O PHE f 27 " (cutoff:3.500A) Processing helix chain 'f' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE f 36 " --> pdb=" O TYR f 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL f 37 " --> pdb=" O GLY f 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'f' and resid 32 through 37' Processing helix chain 'f' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU f 89 " --> pdb=" O ASP f 85 " (cutoff:3.500A) removed outlier: 4.177A pdb=" N LEU f 92 " --> pdb=" O GLU f 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU f 93 " --> pdb=" O LEU f 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG f 94 " --> pdb=" O ASP f 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY f 95 " --> pdb=" O ASN f 91 " (cutoff:3.500A) Processing helix chain 'f' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU f 105 " --> pdb=" O LEU f 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU f 106 " --> pdb=" O SER f 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR f 107 " --> pdb=" O SER f 103 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N LYS f 110 " --> pdb=" O GLU f 106 " (cutoff:3.500A) removed outlier: 3.861A pdb=" N ALA f 112 " --> pdb=" O VAL f 108 " (cutoff:3.500A) Processing helix chain 'f' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU f 148 " --> pdb=" O THR f 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU f 149 " --> pdb=" O PRO f 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU f 150 " --> pdb=" O LYS f 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL f 153 " --> pdb=" O LEU f 149 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N ILE f 158 " --> pdb=" O ARG f 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP f 162 " --> pdb=" O ILE f 158 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N GLY f 163 " --> pdb=" O PHE f 159 " (cutoff:3.500A) Processing helix chain 'f' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP f 177 " --> pdb=" O ASN f 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE f 178 " --> pdb=" O THR f 174 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N ASN f 179 " --> pdb=" O ASP f 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE f 180 " --> pdb=" O ARG f 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU f 181 " --> pdb=" O TRP f 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'f' and resid 173 through 181' Processing helix chain 'f' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL f 187 " --> pdb=" O ASP f 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG f 192 " --> pdb=" O GLU f 188 " (cutoff:3.500A) Processing helix chain 'g' and resid 12 through 31 removed outlier: 3.659A pdb=" N TRP g 16 " --> pdb=" O THR g 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU g 25 " --> pdb=" O ASN g 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE g 26 " --> pdb=" O ARG g 22 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N LEU g 31 " --> pdb=" O PHE g 27 " (cutoff:3.500A) Processing helix chain 'g' and resid 32 through 37 removed outlier: 4.821A pdb=" N PHE g 36 " --> pdb=" O TYR g 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL g 37 " --> pdb=" O GLY g 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'g' and resid 32 through 37' Processing helix chain 'g' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU g 89 " --> pdb=" O ASP g 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU g 92 " --> pdb=" O GLU g 88 " (cutoff:3.500A) removed outlier: 5.063A pdb=" N GLU g 93 " --> pdb=" O LEU g 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG g 94 " --> pdb=" O ASP g 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY g 95 " --> pdb=" O ASN g 91 " (cutoff:3.500A) Processing helix chain 'g' and resid 101 through 121 removed outlier: 4.773A pdb=" N GLU g 105 " --> pdb=" O LEU g 101 " (cutoff:3.500A) removed outlier: 4.806A pdb=" N GLU g 106 " --> pdb=" O SER g 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR g 107 " --> pdb=" O SER g 103 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N LYS g 110 " --> pdb=" O GLU g 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA g 112 " --> pdb=" O VAL g 108 " (cutoff:3.500A) Processing helix chain 'g' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU g 148 " --> pdb=" O THR g 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU g 149 " --> pdb=" O PRO g 145 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLU g 150 " --> pdb=" O LYS g 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL g 153 " --> pdb=" O LEU g 149 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N ILE g 158 " --> pdb=" O ARG g 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP g 162 " --> pdb=" O ILE g 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY g 163 " --> pdb=" O PHE g 159 " (cutoff:3.500A) Processing helix chain 'g' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP g 177 " --> pdb=" O ASN g 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE g 178 " --> pdb=" O THR g 174 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N ASN g 179 " --> pdb=" O ASP g 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE g 180 " --> pdb=" O ARG g 176 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N LEU g 181 " --> pdb=" O TRP g 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'g' and resid 173 through 181' Processing helix chain 'g' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL g 187 " --> pdb=" O ASP g 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG g 192 " --> pdb=" O GLU g 188 " (cutoff:3.500A) Processing helix chain 'h' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP h 16 " --> pdb=" O THR h 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU h 25 " --> pdb=" O ASN h 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE h 26 " --> pdb=" O ARG h 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU h 31 " --> pdb=" O PHE h 27 " (cutoff:3.500A) Processing helix chain 'h' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE h 36 " --> pdb=" O TYR h 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL h 37 " --> pdb=" O GLY h 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'h' and resid 32 through 37' Processing helix chain 'h' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU h 89 " --> pdb=" O ASP h 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU h 92 " --> pdb=" O GLU h 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU h 93 " --> pdb=" O LEU h 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG h 94 " --> pdb=" O ASP h 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY h 95 " --> pdb=" O ASN h 91 " (cutoff:3.500A) Processing helix chain 'h' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU h 105 " --> pdb=" O LEU h 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU h 106 " --> pdb=" O SER h 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR h 107 " --> pdb=" O SER h 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS h 110 " --> pdb=" O GLU h 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA h 112 " --> pdb=" O VAL h 108 " (cutoff:3.500A) Processing helix chain 'h' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU h 148 " --> pdb=" O THR h 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU h 149 " --> pdb=" O PRO h 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU h 150 " --> pdb=" O LYS h 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL h 153 " --> pdb=" O LEU h 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE h 158 " --> pdb=" O ARG h 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP h 162 " --> pdb=" O ILE h 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY h 163 " --> pdb=" O PHE h 159 " (cutoff:3.500A) Processing helix chain 'h' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP h 177 " --> pdb=" O ASN h 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE h 178 " --> pdb=" O THR h 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN h 179 " --> pdb=" O ASP h 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE h 180 " --> pdb=" O ARG h 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU h 181 " --> pdb=" O TRP h 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'h' and resid 173 through 181' Processing helix chain 'h' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL h 187 " --> pdb=" O ASP h 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG h 192 " --> pdb=" O GLU h 188 " (cutoff:3.500A) Processing helix chain 'i' and resid 12 through 31 removed outlier: 3.659A pdb=" N TRP i 16 " --> pdb=" O THR i 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU i 25 " --> pdb=" O ASN i 21 " (cutoff:3.500A) removed outlier: 4.252A pdb=" N ILE i 26 " --> pdb=" O ARG i 22 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N LEU i 31 " --> pdb=" O PHE i 27 " (cutoff:3.500A) Processing helix chain 'i' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE i 36 " --> pdb=" O TYR i 32 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N VAL i 37 " --> pdb=" O GLY i 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'i' and resid 32 through 37' Processing helix chain 'i' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU i 89 " --> pdb=" O ASP i 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU i 92 " --> pdb=" O GLU i 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU i 93 " --> pdb=" O LEU i 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG i 94 " --> pdb=" O ASP i 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY i 95 " --> pdb=" O ASN i 91 " (cutoff:3.500A) Processing helix chain 'i' and resid 101 through 121 removed outlier: 4.773A pdb=" N GLU i 105 " --> pdb=" O LEU i 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU i 106 " --> pdb=" O SER i 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR i 107 " --> pdb=" O SER i 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS i 110 " --> pdb=" O GLU i 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA i 112 " --> pdb=" O VAL i 108 " (cutoff:3.500A) Processing helix chain 'i' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU i 148 " --> pdb=" O THR i 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU i 149 " --> pdb=" O PRO i 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU i 150 " --> pdb=" O LYS i 146 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N VAL i 153 " --> pdb=" O LEU i 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE i 158 " --> pdb=" O ARG i 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP i 162 " --> pdb=" O ILE i 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY i 163 " --> pdb=" O PHE i 159 " (cutoff:3.500A) Processing helix chain 'i' and resid 173 through 181 removed outlier: 3.705A pdb=" N TRP i 177 " --> pdb=" O ASN i 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE i 178 " --> pdb=" O THR i 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN i 179 " --> pdb=" O ASP i 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE i 180 " --> pdb=" O ARG i 176 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEU i 181 " --> pdb=" O TRP i 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'i' and resid 173 through 181' Processing helix chain 'i' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL i 187 " --> pdb=" O ASP i 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG i 192 " --> pdb=" O GLU i 188 " (cutoff:3.500A) Processing helix chain 'j' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP j 16 " --> pdb=" O THR j 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU j 25 " --> pdb=" O ASN j 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE j 26 " --> pdb=" O ARG j 22 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N LEU j 31 " --> pdb=" O PHE j 27 " (cutoff:3.500A) Processing helix chain 'j' and resid 32 through 37 removed outlier: 4.821A pdb=" N PHE j 36 " --> pdb=" O TYR j 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL j 37 " --> pdb=" O GLY j 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'j' and resid 32 through 37' Processing helix chain 'j' and resid 85 through 95 removed outlier: 3.781A pdb=" N LEU j 89 " --> pdb=" O ASP j 85 " (cutoff:3.500A) removed outlier: 4.177A pdb=" N LEU j 92 " --> pdb=" O GLU j 88 " (cutoff:3.500A) removed outlier: 5.063A pdb=" N GLU j 93 " --> pdb=" O LEU j 89 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ARG j 94 " --> pdb=" O ASP j 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY j 95 " --> pdb=" O ASN j 91 " (cutoff:3.500A) Processing helix chain 'j' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU j 105 " --> pdb=" O LEU j 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU j 106 " --> pdb=" O SER j 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR j 107 " --> pdb=" O SER j 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS j 110 " --> pdb=" O GLU j 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA j 112 " --> pdb=" O VAL j 108 " (cutoff:3.500A) Processing helix chain 'j' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU j 148 " --> pdb=" O THR j 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU j 149 " --> pdb=" O PRO j 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU j 150 " --> pdb=" O LYS j 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL j 153 " --> pdb=" O LEU j 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE j 158 " --> pdb=" O ARG j 154 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ASP j 162 " --> pdb=" O ILE j 158 " (cutoff:3.500A) removed outlier: 4.475A pdb=" N GLY j 163 " --> pdb=" O PHE j 159 " (cutoff:3.500A) Processing helix chain 'j' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP j 177 " --> pdb=" O ASN j 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE j 178 " --> pdb=" O THR j 174 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N ASN j 179 " --> pdb=" O ASP j 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE j 180 " --> pdb=" O ARG j 176 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEU j 181 " --> pdb=" O TRP j 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'j' and resid 173 through 181' Processing helix chain 'j' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL j 187 " --> pdb=" O ASP j 183 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N ARG j 192 " --> pdb=" O GLU j 188 " (cutoff:3.500A) Processing helix chain 'k' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP k 16 " --> pdb=" O THR k 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU k 25 " --> pdb=" O ASN k 21 " (cutoff:3.500A) removed outlier: 4.252A pdb=" N ILE k 26 " --> pdb=" O ARG k 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU k 31 " --> pdb=" O PHE k 27 " (cutoff:3.500A) Processing helix chain 'k' and resid 32 through 37 removed outlier: 4.819A pdb=" N PHE k 36 " --> pdb=" O TYR k 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL k 37 " --> pdb=" O GLY k 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'k' and resid 32 through 37' Processing helix chain 'k' and resid 85 through 95 removed outlier: 3.781A pdb=" N LEU k 89 " --> pdb=" O ASP k 85 " (cutoff:3.500A) removed outlier: 4.177A pdb=" N LEU k 92 " --> pdb=" O GLU k 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU k 93 " --> pdb=" O LEU k 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG k 94 " --> pdb=" O ASP k 90 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLY k 95 " --> pdb=" O ASN k 91 " (cutoff:3.500A) Processing helix chain 'k' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU k 105 " --> pdb=" O LEU k 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU k 106 " --> pdb=" O SER k 102 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N THR k 107 " --> pdb=" O SER k 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS k 110 " --> pdb=" O GLU k 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA k 112 " --> pdb=" O VAL k 108 " (cutoff:3.500A) Processing helix chain 'k' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU k 148 " --> pdb=" O THR k 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU k 149 " --> pdb=" O PRO k 145 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N GLU k 150 " --> pdb=" O LYS k 146 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N VAL k 153 " --> pdb=" O LEU k 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE k 158 " --> pdb=" O ARG k 154 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ASP k 162 " --> pdb=" O ILE k 158 " (cutoff:3.500A) removed outlier: 4.475A pdb=" N GLY k 163 " --> pdb=" O PHE k 159 " (cutoff:3.500A) Processing helix chain 'k' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP k 177 " --> pdb=" O ASN k 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE k 178 " --> pdb=" O THR k 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN k 179 " --> pdb=" O ASP k 175 " (cutoff:3.500A) removed outlier: 4.117A pdb=" N PHE k 180 " --> pdb=" O ARG k 176 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEU k 181 " --> pdb=" O TRP k 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'k' and resid 173 through 181' Processing helix chain 'k' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL k 187 " --> pdb=" O ASP k 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG k 192 " --> pdb=" O GLU k 188 " (cutoff:3.500A) Processing helix chain 'l' and resid 12 through 31 removed outlier: 3.659A pdb=" N TRP l 16 " --> pdb=" O THR l 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU l 25 " --> pdb=" O ASN l 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE l 26 " --> pdb=" O ARG l 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU l 31 " --> pdb=" O PHE l 27 " (cutoff:3.500A) Processing helix chain 'l' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE l 36 " --> pdb=" O TYR l 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL l 37 " --> pdb=" O GLY l 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'l' and resid 32 through 37' Processing helix chain 'l' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU l 89 " --> pdb=" O ASP l 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU l 92 " --> pdb=" O GLU l 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU l 93 " --> pdb=" O LEU l 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG l 94 " --> pdb=" O ASP l 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY l 95 " --> pdb=" O ASN l 91 " (cutoff:3.500A) Processing helix chain 'l' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU l 105 " --> pdb=" O LEU l 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU l 106 " --> pdb=" O SER l 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR l 107 " --> pdb=" O SER l 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS l 110 " --> pdb=" O GLU l 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA l 112 " --> pdb=" O VAL l 108 " (cutoff:3.500A) Processing helix chain 'l' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU l 148 " --> pdb=" O THR l 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU l 149 " --> pdb=" O PRO l 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU l 150 " --> pdb=" O LYS l 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL l 153 " --> pdb=" O LEU l 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE l 158 " --> pdb=" O ARG l 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP l 162 " --> pdb=" O ILE l 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY l 163 " --> pdb=" O PHE l 159 " (cutoff:3.500A) Processing helix chain 'l' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP l 177 " --> pdb=" O ASN l 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE l 178 " --> pdb=" O THR l 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN l 179 " --> pdb=" O ASP l 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE l 180 " --> pdb=" O ARG l 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU l 181 " --> pdb=" O TRP l 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'l' and resid 173 through 181' Processing helix chain 'l' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL l 187 " --> pdb=" O ASP l 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG l 192 " --> pdb=" O GLU l 188 " (cutoff:3.500A) Processing helix chain 'm' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP m 16 " --> pdb=" O THR m 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU m 25 " --> pdb=" O ASN m 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE m 26 " --> pdb=" O ARG m 22 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N LEU m 31 " --> pdb=" O PHE m 27 " (cutoff:3.500A) Processing helix chain 'm' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE m 36 " --> pdb=" O TYR m 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL m 37 " --> pdb=" O GLY m 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'm' and resid 32 through 37' Processing helix chain 'm' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU m 89 " --> pdb=" O ASP m 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU m 92 " --> pdb=" O GLU m 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU m 93 " --> pdb=" O LEU m 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG m 94 " --> pdb=" O ASP m 90 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLY m 95 " --> pdb=" O ASN m 91 " (cutoff:3.500A) Processing helix chain 'm' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU m 105 " --> pdb=" O LEU m 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU m 106 " --> pdb=" O SER m 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR m 107 " --> pdb=" O SER m 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS m 110 " --> pdb=" O GLU m 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA m 112 " --> pdb=" O VAL m 108 " (cutoff:3.500A) Processing helix chain 'm' and resid 144 through 163 removed outlier: 4.329A pdb=" N LEU m 148 " --> pdb=" O THR m 144 " (cutoff:3.500A) removed outlier: 4.994A pdb=" N LEU m 149 " --> pdb=" O PRO m 145 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLU m 150 " --> pdb=" O LYS m 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL m 153 " --> pdb=" O LEU m 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE m 158 " --> pdb=" O ARG m 154 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ASP m 162 " --> pdb=" O ILE m 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY m 163 " --> pdb=" O PHE m 159 " (cutoff:3.500A) Processing helix chain 'm' and resid 173 through 181 removed outlier: 3.705A pdb=" N TRP m 177 " --> pdb=" O ASN m 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE m 178 " --> pdb=" O THR m 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN m 179 " --> pdb=" O ASP m 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE m 180 " --> pdb=" O ARG m 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU m 181 " --> pdb=" O TRP m 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'm' and resid 173 through 181' Processing helix chain 'm' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL m 187 " --> pdb=" O ASP m 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG m 192 " --> pdb=" O GLU m 188 " (cutoff:3.500A) Processing helix chain 'n' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP n 16 " --> pdb=" O THR n 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU n 25 " --> pdb=" O ASN n 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE n 26 " --> pdb=" O ARG n 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU n 31 " --> pdb=" O PHE n 27 " (cutoff:3.500A) Processing helix chain 'n' and resid 32 through 37 removed outlier: 4.821A pdb=" N PHE n 36 " --> pdb=" O TYR n 32 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N VAL n 37 " --> pdb=" O GLY n 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'n' and resid 32 through 37' Processing helix chain 'n' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU n 89 " --> pdb=" O ASP n 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU n 92 " --> pdb=" O GLU n 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU n 93 " --> pdb=" O LEU n 89 " (cutoff:3.500A) removed outlier: 4.114A pdb=" N ARG n 94 " --> pdb=" O ASP n 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY n 95 " --> pdb=" O ASN n 91 " (cutoff:3.500A) Processing helix chain 'n' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU n 105 " --> pdb=" O LEU n 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU n 106 " --> pdb=" O SER n 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR n 107 " --> pdb=" O SER n 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS n 110 " --> pdb=" O GLU n 106 " (cutoff:3.500A) removed outlier: 3.861A pdb=" N ALA n 112 " --> pdb=" O VAL n 108 " (cutoff:3.500A) Processing helix chain 'n' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU n 148 " --> pdb=" O THR n 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU n 149 " --> pdb=" O PRO n 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU n 150 " --> pdb=" O LYS n 146 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N VAL n 153 " --> pdb=" O LEU n 149 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N ILE n 158 " --> pdb=" O ARG n 154 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ASP n 162 " --> pdb=" O ILE n 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY n 163 " --> pdb=" O PHE n 159 " (cutoff:3.500A) Processing helix chain 'n' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP n 177 " --> pdb=" O ASN n 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE n 178 " --> pdb=" O THR n 174 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N ASN n 179 " --> pdb=" O ASP n 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE n 180 " --> pdb=" O ARG n 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU n 181 " --> pdb=" O TRP n 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'n' and resid 173 through 181' Processing helix chain 'n' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL n 187 " --> pdb=" O ASP n 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG n 192 " --> pdb=" O GLU n 188 " (cutoff:3.500A) Processing helix chain 'o' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP o 16 " --> pdb=" O THR o 12 " (cutoff:3.500A) removed outlier: 4.056A pdb=" N GLU o 25 " --> pdb=" O ASN o 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE o 26 " --> pdb=" O ARG o 22 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N LEU o 31 " --> pdb=" O PHE o 27 " (cutoff:3.500A) Processing helix chain 'o' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE o 36 " --> pdb=" O TYR o 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL o 37 " --> pdb=" O GLY o 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'o' and resid 32 through 37' Processing helix chain 'o' and resid 85 through 95 removed outlier: 3.781A pdb=" N LEU o 89 " --> pdb=" O ASP o 85 " (cutoff:3.500A) removed outlier: 4.177A pdb=" N LEU o 92 " --> pdb=" O GLU o 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU o 93 " --> pdb=" O LEU o 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG o 94 " --> pdb=" O ASP o 90 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLY o 95 " --> pdb=" O ASN o 91 " (cutoff:3.500A) Processing helix chain 'o' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU o 105 " --> pdb=" O LEU o 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU o 106 " --> pdb=" O SER o 102 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N THR o 107 " --> pdb=" O SER o 103 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N LYS o 110 " --> pdb=" O GLU o 106 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N ALA o 112 " --> pdb=" O VAL o 108 " (cutoff:3.500A) Processing helix chain 'o' and resid 144 through 163 removed outlier: 4.329A pdb=" N LEU o 148 " --> pdb=" O THR o 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU o 149 " --> pdb=" O PRO o 145 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLU o 150 " --> pdb=" O LYS o 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL o 153 " --> pdb=" O LEU o 149 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N ILE o 158 " --> pdb=" O ARG o 154 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ASP o 162 " --> pdb=" O ILE o 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY o 163 " --> pdb=" O PHE o 159 " (cutoff:3.500A) Processing helix chain 'o' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP o 177 " --> pdb=" O ASN o 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE o 178 " --> pdb=" O THR o 174 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N ASN o 179 " --> pdb=" O ASP o 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE o 180 " --> pdb=" O ARG o 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU o 181 " --> pdb=" O TRP o 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'o' and resid 173 through 181' Processing helix chain 'o' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL o 187 " --> pdb=" O ASP o 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG o 192 " --> pdb=" O GLU o 188 " (cutoff:3.500A) Processing helix chain 'p' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP p 16 " --> pdb=" O THR p 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU p 25 " --> pdb=" O ASN p 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE p 26 " --> pdb=" O ARG p 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU p 31 " --> pdb=" O PHE p 27 " (cutoff:3.500A) Processing helix chain 'p' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE p 36 " --> pdb=" O TYR p 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL p 37 " --> pdb=" O GLY p 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'p' and resid 32 through 37' Processing helix chain 'p' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU p 89 " --> pdb=" O ASP p 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU p 92 " --> pdb=" O GLU p 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU p 93 " --> pdb=" O LEU p 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG p 94 " --> pdb=" O ASP p 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY p 95 " --> pdb=" O ASN p 91 " (cutoff:3.500A) Processing helix chain 'p' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU p 105 " --> pdb=" O LEU p 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU p 106 " --> pdb=" O SER p 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR p 107 " --> pdb=" O SER p 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS p 110 " --> pdb=" O GLU p 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA p 112 " --> pdb=" O VAL p 108 " (cutoff:3.500A) Processing helix chain 'p' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU p 148 " --> pdb=" O THR p 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU p 149 " --> pdb=" O PRO p 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU p 150 " --> pdb=" O LYS p 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL p 153 " --> pdb=" O LEU p 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE p 158 " --> pdb=" O ARG p 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP p 162 " --> pdb=" O ILE p 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY p 163 " --> pdb=" O PHE p 159 " (cutoff:3.500A) Processing helix chain 'p' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP p 177 " --> pdb=" O ASN p 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE p 178 " --> pdb=" O THR p 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN p 179 " --> pdb=" O ASP p 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE p 180 " --> pdb=" O ARG p 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU p 181 " --> pdb=" O TRP p 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'p' and resid 173 through 181' Processing helix chain 'p' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL p 187 " --> pdb=" O ASP p 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG p 192 " --> pdb=" O GLU p 188 " (cutoff:3.500A) Processing helix chain 'q' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP q 16 " --> pdb=" O THR q 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU q 25 " --> pdb=" O ASN q 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE q 26 " --> pdb=" O ARG q 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU q 31 " --> pdb=" O PHE q 27 " (cutoff:3.500A) Processing helix chain 'q' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE q 36 " --> pdb=" O TYR q 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL q 37 " --> pdb=" O GLY q 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'q' and resid 32 through 37' Processing helix chain 'q' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU q 89 " --> pdb=" O ASP q 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU q 92 " --> pdb=" O GLU q 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU q 93 " --> pdb=" O LEU q 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG q 94 " --> pdb=" O ASP q 90 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLY q 95 " --> pdb=" O ASN q 91 " (cutoff:3.500A) Processing helix chain 'q' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU q 105 " --> pdb=" O LEU q 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU q 106 " --> pdb=" O SER q 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR q 107 " --> pdb=" O SER q 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS q 110 " --> pdb=" O GLU q 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA q 112 " --> pdb=" O VAL q 108 " (cutoff:3.500A) Processing helix chain 'q' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU q 148 " --> pdb=" O THR q 144 " (cutoff:3.500A) removed outlier: 4.994A pdb=" N LEU q 149 " --> pdb=" O PRO q 145 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLU q 150 " --> pdb=" O LYS q 146 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N VAL q 153 " --> pdb=" O LEU q 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE q 158 " --> pdb=" O ARG q 154 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ASP q 162 " --> pdb=" O ILE q 158 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N GLY q 163 " --> pdb=" O PHE q 159 " (cutoff:3.500A) Processing helix chain 'q' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP q 177 " --> pdb=" O ASN q 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE q 178 " --> pdb=" O THR q 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN q 179 " --> pdb=" O ASP q 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE q 180 " --> pdb=" O ARG q 176 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEU q 181 " --> pdb=" O TRP q 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'q' and resid 173 through 181' Processing helix chain 'q' and resid 183 through 192 removed outlier: 5.272A pdb=" N VAL q 187 " --> pdb=" O ASP q 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG q 192 " --> pdb=" O GLU q 188 " (cutoff:3.500A) Processing helix chain 'r' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP r 16 " --> pdb=" O THR r 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU r 25 " --> pdb=" O ASN r 21 " (cutoff:3.500A) removed outlier: 4.252A pdb=" N ILE r 26 " --> pdb=" O ARG r 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU r 31 " --> pdb=" O PHE r 27 " (cutoff:3.500A) Processing helix chain 'r' and resid 32 through 37 removed outlier: 4.821A pdb=" N PHE r 36 " --> pdb=" O TYR r 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL r 37 " --> pdb=" O GLY r 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'r' and resid 32 through 37' Processing helix chain 'r' and resid 85 through 95 removed outlier: 3.781A pdb=" N LEU r 89 " --> pdb=" O ASP r 85 " (cutoff:3.500A) removed outlier: 4.177A pdb=" N LEU r 92 " --> pdb=" O GLU r 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU r 93 " --> pdb=" O LEU r 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG r 94 " --> pdb=" O ASP r 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY r 95 " --> pdb=" O ASN r 91 " (cutoff:3.500A) Processing helix chain 'r' and resid 101 through 121 removed outlier: 4.773A pdb=" N GLU r 105 " --> pdb=" O LEU r 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU r 106 " --> pdb=" O SER r 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR r 107 " --> pdb=" O SER r 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS r 110 " --> pdb=" O GLU r 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA r 112 " --> pdb=" O VAL r 108 " (cutoff:3.500A) Processing helix chain 'r' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU r 148 " --> pdb=" O THR r 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU r 149 " --> pdb=" O PRO r 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU r 150 " --> pdb=" O LYS r 146 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N VAL r 153 " --> pdb=" O LEU r 149 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N ILE r 158 " --> pdb=" O ARG r 154 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ASP r 162 " --> pdb=" O ILE r 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY r 163 " --> pdb=" O PHE r 159 " (cutoff:3.500A) Processing helix chain 'r' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP r 177 " --> pdb=" O ASN r 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE r 178 " --> pdb=" O THR r 174 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N ASN r 179 " --> pdb=" O ASP r 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE r 180 " --> pdb=" O ARG r 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU r 181 " --> pdb=" O TRP r 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'r' and resid 173 through 181' Processing helix chain 'r' and resid 183 through 192 removed outlier: 5.272A pdb=" N VAL r 187 " --> pdb=" O ASP r 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG r 192 " --> pdb=" O GLU r 188 " (cutoff:3.500A) Processing helix chain 's' and resid 12 through 31 removed outlier: 3.659A pdb=" N TRP s 16 " --> pdb=" O THR s 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU s 25 " --> pdb=" O ASN s 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE s 26 " --> pdb=" O ARG s 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU s 31 " --> pdb=" O PHE s 27 " (cutoff:3.500A) Processing helix chain 's' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE s 36 " --> pdb=" O TYR s 32 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N VAL s 37 " --> pdb=" O GLY s 33 " (cutoff:3.500A) No H-bonds generated for 'chain 's' and resid 32 through 37' Processing helix chain 's' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU s 89 " --> pdb=" O ASP s 85 " (cutoff:3.500A) removed outlier: 4.177A pdb=" N LEU s 92 " --> pdb=" O GLU s 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU s 93 " --> pdb=" O LEU s 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG s 94 " --> pdb=" O ASP s 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY s 95 " --> pdb=" O ASN s 91 " (cutoff:3.500A) Processing helix chain 's' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU s 105 " --> pdb=" O LEU s 101 " (cutoff:3.500A) removed outlier: 4.806A pdb=" N GLU s 106 " --> pdb=" O SER s 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR s 107 " --> pdb=" O SER s 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS s 110 " --> pdb=" O GLU s 106 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N ALA s 112 " --> pdb=" O VAL s 108 " (cutoff:3.500A) Processing helix chain 's' and resid 144 through 163 removed outlier: 4.329A pdb=" N LEU s 148 " --> pdb=" O THR s 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU s 149 " --> pdb=" O PRO s 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU s 150 " --> pdb=" O LYS s 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL s 153 " --> pdb=" O LEU s 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE s 158 " --> pdb=" O ARG s 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP s 162 " --> pdb=" O ILE s 158 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N GLY s 163 " --> pdb=" O PHE s 159 " (cutoff:3.500A) Processing helix chain 's' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP s 177 " --> pdb=" O ASN s 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE s 178 " --> pdb=" O THR s 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN s 179 " --> pdb=" O ASP s 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE s 180 " --> pdb=" O ARG s 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU s 181 " --> pdb=" O TRP s 177 " (cutoff:3.500A) No H-bonds generated for 'chain 's' and resid 173 through 181' Processing helix chain 's' and resid 183 through 192 removed outlier: 5.272A pdb=" N VAL s 187 " --> pdb=" O ASP s 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG s 192 " --> pdb=" O GLU s 188 " (cutoff:3.500A) Processing helix chain 't' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP t 16 " --> pdb=" O THR t 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU t 25 " --> pdb=" O ASN t 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE t 26 " --> pdb=" O ARG t 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU t 31 " --> pdb=" O PHE t 27 " (cutoff:3.500A) Processing helix chain 't' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE t 36 " --> pdb=" O TYR t 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL t 37 " --> pdb=" O GLY t 33 " (cutoff:3.500A) No H-bonds generated for 'chain 't' and resid 32 through 37' Processing helix chain 't' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU t 89 " --> pdb=" O ASP t 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU t 92 " --> pdb=" O GLU t 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU t 93 " --> pdb=" O LEU t 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG t 94 " --> pdb=" O ASP t 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY t 95 " --> pdb=" O ASN t 91 " (cutoff:3.500A) Processing helix chain 't' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU t 105 " --> pdb=" O LEU t 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU t 106 " --> pdb=" O SER t 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR t 107 " --> pdb=" O SER t 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS t 110 " --> pdb=" O GLU t 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA t 112 " --> pdb=" O VAL t 108 " (cutoff:3.500A) Processing helix chain 't' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU t 148 " --> pdb=" O THR t 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU t 149 " --> pdb=" O PRO t 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU t 150 " --> pdb=" O LYS t 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL t 153 " --> pdb=" O LEU t 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE t 158 " --> pdb=" O ARG t 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP t 162 " --> pdb=" O ILE t 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY t 163 " --> pdb=" O PHE t 159 " (cutoff:3.500A) Processing helix chain 't' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP t 177 " --> pdb=" O ASN t 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE t 178 " --> pdb=" O THR t 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN t 179 " --> pdb=" O ASP t 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE t 180 " --> pdb=" O ARG t 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU t 181 " --> pdb=" O TRP t 177 " (cutoff:3.500A) No H-bonds generated for 'chain 't' and resid 173 through 181' Processing helix chain 't' and resid 183 through 192 removed outlier: 5.273A pdb=" N VAL t 187 " --> pdb=" O ASP t 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG t 192 " --> pdb=" O GLU t 188 " (cutoff:3.500A) Processing helix chain 'u' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP u 16 " --> pdb=" O THR u 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU u 25 " --> pdb=" O ASN u 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE u 26 " --> pdb=" O ARG u 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU u 31 " --> pdb=" O PHE u 27 " (cutoff:3.500A) Processing helix chain 'u' and resid 32 through 37 removed outlier: 4.820A pdb=" N PHE u 36 " --> pdb=" O TYR u 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL u 37 " --> pdb=" O GLY u 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'u' and resid 32 through 37' Processing helix chain 'u' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU u 89 " --> pdb=" O ASP u 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU u 92 " --> pdb=" O GLU u 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU u 93 " --> pdb=" O LEU u 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG u 94 " --> pdb=" O ASP u 90 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLY u 95 " --> pdb=" O ASN u 91 " (cutoff:3.500A) Processing helix chain 'u' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU u 105 " --> pdb=" O LEU u 101 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N GLU u 106 " --> pdb=" O SER u 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR u 107 " --> pdb=" O SER u 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS u 110 " --> pdb=" O GLU u 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA u 112 " --> pdb=" O VAL u 108 " (cutoff:3.500A) Processing helix chain 'u' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU u 148 " --> pdb=" O THR u 144 " (cutoff:3.500A) removed outlier: 4.994A pdb=" N LEU u 149 " --> pdb=" O PRO u 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU u 150 " --> pdb=" O LYS u 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL u 153 " --> pdb=" O LEU u 149 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N ILE u 158 " --> pdb=" O ARG u 154 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ASP u 162 " --> pdb=" O ILE u 158 " (cutoff:3.500A) removed outlier: 4.475A pdb=" N GLY u 163 " --> pdb=" O PHE u 159 " (cutoff:3.500A) Processing helix chain 'u' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP u 177 " --> pdb=" O ASN u 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE u 178 " --> pdb=" O THR u 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN u 179 " --> pdb=" O ASP u 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE u 180 " --> pdb=" O ARG u 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU u 181 " --> pdb=" O TRP u 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'u' and resid 173 through 181' Processing helix chain 'u' and resid 183 through 192 removed outlier: 5.272A pdb=" N VAL u 187 " --> pdb=" O ASP u 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG u 192 " --> pdb=" O GLU u 188 " (cutoff:3.500A) Processing helix chain 'v' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP v 16 " --> pdb=" O THR v 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU v 25 " --> pdb=" O ASN v 21 " (cutoff:3.500A) removed outlier: 4.252A pdb=" N ILE v 26 " --> pdb=" O ARG v 22 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N LEU v 31 " --> pdb=" O PHE v 27 " (cutoff:3.500A) Processing helix chain 'v' and resid 32 through 37 removed outlier: 4.821A pdb=" N PHE v 36 " --> pdb=" O TYR v 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL v 37 " --> pdb=" O GLY v 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'v' and resid 32 through 37' Processing helix chain 'v' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU v 89 " --> pdb=" O ASP v 85 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N LEU v 92 " --> pdb=" O GLU v 88 " (cutoff:3.500A) removed outlier: 5.063A pdb=" N GLU v 93 " --> pdb=" O LEU v 89 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ARG v 94 " --> pdb=" O ASP v 90 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N GLY v 95 " --> pdb=" O ASN v 91 " (cutoff:3.500A) Processing helix chain 'v' and resid 101 through 121 removed outlier: 4.773A pdb=" N GLU v 105 " --> pdb=" O LEU v 101 " (cutoff:3.500A) removed outlier: 4.806A pdb=" N GLU v 106 " --> pdb=" O SER v 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR v 107 " --> pdb=" O SER v 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS v 110 " --> pdb=" O GLU v 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA v 112 " --> pdb=" O VAL v 108 " (cutoff:3.500A) Processing helix chain 'v' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU v 148 " --> pdb=" O THR v 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU v 149 " --> pdb=" O PRO v 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU v 150 " --> pdb=" O LYS v 146 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N VAL v 153 " --> pdb=" O LEU v 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE v 158 " --> pdb=" O ARG v 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP v 162 " --> pdb=" O ILE v 158 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLY v 163 " --> pdb=" O PHE v 159 " (cutoff:3.500A) Processing helix chain 'v' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP v 177 " --> pdb=" O ASN v 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE v 178 " --> pdb=" O THR v 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN v 179 " --> pdb=" O ASP v 175 " (cutoff:3.500A) removed outlier: 4.117A pdb=" N PHE v 180 " --> pdb=" O ARG v 176 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEU v 181 " --> pdb=" O TRP v 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'v' and resid 173 through 181' Processing helix chain 'v' and resid 183 through 192 removed outlier: 5.272A pdb=" N VAL v 187 " --> pdb=" O ASP v 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG v 192 " --> pdb=" O GLU v 188 " (cutoff:3.500A) Processing helix chain 'w' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP w 16 " --> pdb=" O THR w 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU w 25 " --> pdb=" O ASN w 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE w 26 " --> pdb=" O ARG w 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU w 31 " --> pdb=" O PHE w 27 " (cutoff:3.500A) Processing helix chain 'w' and resid 32 through 37 removed outlier: 4.821A pdb=" N PHE w 36 " --> pdb=" O TYR w 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL w 37 " --> pdb=" O GLY w 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'w' and resid 32 through 37' Processing helix chain 'w' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU w 89 " --> pdb=" O ASP w 85 " (cutoff:3.500A) removed outlier: 4.177A pdb=" N LEU w 92 " --> pdb=" O GLU w 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU w 93 " --> pdb=" O LEU w 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG w 94 " --> pdb=" O ASP w 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY w 95 " --> pdb=" O ASN w 91 " (cutoff:3.500A) Processing helix chain 'w' and resid 101 through 121 removed outlier: 4.774A pdb=" N GLU w 105 " --> pdb=" O LEU w 101 " (cutoff:3.500A) removed outlier: 4.806A pdb=" N GLU w 106 " --> pdb=" O SER w 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR w 107 " --> pdb=" O SER w 103 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N LYS w 110 " --> pdb=" O GLU w 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA w 112 " --> pdb=" O VAL w 108 " (cutoff:3.500A) Processing helix chain 'w' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU w 148 " --> pdb=" O THR w 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU w 149 " --> pdb=" O PRO w 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU w 150 " --> pdb=" O LYS w 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL w 153 " --> pdb=" O LEU w 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE w 158 " --> pdb=" O ARG w 154 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ASP w 162 " --> pdb=" O ILE w 158 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N GLY w 163 " --> pdb=" O PHE w 159 " (cutoff:3.500A) Processing helix chain 'w' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP w 177 " --> pdb=" O ASN w 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE w 178 " --> pdb=" O THR w 174 " (cutoff:3.500A) removed outlier: 4.784A pdb=" N ASN w 179 " --> pdb=" O ASP w 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE w 180 " --> pdb=" O ARG w 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU w 181 " --> pdb=" O TRP w 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'w' and resid 173 through 181' Processing helix chain 'w' and resid 183 through 192 removed outlier: 5.272A pdb=" N VAL w 187 " --> pdb=" O ASP w 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG w 192 " --> pdb=" O GLU w 188 " (cutoff:3.500A) Processing helix chain 'x' and resid 12 through 31 removed outlier: 3.660A pdb=" N TRP x 16 " --> pdb=" O THR x 12 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLU x 25 " --> pdb=" O ASN x 21 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N ILE x 26 " --> pdb=" O ARG x 22 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LEU x 31 " --> pdb=" O PHE x 27 " (cutoff:3.500A) Processing helix chain 'x' and resid 32 through 37 removed outlier: 4.821A pdb=" N PHE x 36 " --> pdb=" O TYR x 32 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N VAL x 37 " --> pdb=" O GLY x 33 " (cutoff:3.500A) No H-bonds generated for 'chain 'x' and resid 32 through 37' Processing helix chain 'x' and resid 85 through 95 removed outlier: 3.782A pdb=" N LEU x 89 " --> pdb=" O ASP x 85 " (cutoff:3.500A) removed outlier: 4.177A pdb=" N LEU x 92 " --> pdb=" O GLU x 88 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLU x 93 " --> pdb=" O LEU x 89 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ARG x 94 " --> pdb=" O ASP x 90 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLY x 95 " --> pdb=" O ASN x 91 " (cutoff:3.500A) Processing helix chain 'x' and resid 101 through 121 removed outlier: 4.773A pdb=" N GLU x 105 " --> pdb=" O LEU x 101 " (cutoff:3.500A) removed outlier: 4.806A pdb=" N GLU x 106 " --> pdb=" O SER x 102 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N THR x 107 " --> pdb=" O SER x 103 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N LYS x 110 " --> pdb=" O GLU x 106 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA x 112 " --> pdb=" O VAL x 108 " (cutoff:3.500A) Processing helix chain 'x' and resid 144 through 163 removed outlier: 4.330A pdb=" N LEU x 148 " --> pdb=" O THR x 144 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N LEU x 149 " --> pdb=" O PRO x 145 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU x 150 " --> pdb=" O LYS x 146 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N VAL x 153 " --> pdb=" O LEU x 149 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N ILE x 158 " --> pdb=" O ARG x 154 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ASP x 162 " --> pdb=" O ILE x 158 " (cutoff:3.500A) removed outlier: 4.475A pdb=" N GLY x 163 " --> pdb=" O PHE x 159 " (cutoff:3.500A) Processing helix chain 'x' and resid 173 through 181 removed outlier: 3.706A pdb=" N TRP x 177 " --> pdb=" O ASN x 173 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N ILE x 178 " --> pdb=" O THR x 174 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N ASN x 179 " --> pdb=" O ASP x 175 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N PHE x 180 " --> pdb=" O ARG x 176 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N LEU x 181 " --> pdb=" O TRP x 177 " (cutoff:3.500A) No H-bonds generated for 'chain 'x' and resid 173 through 181' Processing helix chain 'x' and resid 183 through 192 removed outlier: 5.274A pdb=" N VAL x 187 " --> pdb=" O ASP x 183 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ARG x 192 " --> pdb=" O GLU x 188 " (cutoff:3.500A) Processing sheet with id= 1, first strand: chain 'A' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR A 242 " --> pdb=" O GLY A 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP A 214 " --> pdb=" O VAL A 248 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'A' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG A 137 " --> pdb=" O LEU A 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS A 257 " --> pdb=" O ILE A 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA A 205 " --> pdb=" O LEU A 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS A 195 " --> pdb=" O TYR A 168 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain 'A' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG A 236 " --> pdb=" O GLU A 228 " (cutoff:3.500A) Processing sheet with id= 4, first strand: chain 'B' and resid 75 through 84 removed outlier: 6.640A pdb=" N THR B 242 " --> pdb=" O GLY B 220 " (cutoff:3.500A) removed outlier: 8.166A pdb=" N ASP B 214 " --> pdb=" O VAL B 248 " (cutoff:3.500A) Processing sheet with id= 5, first strand: chain 'B' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG B 137 " --> pdb=" O LEU B 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS B 257 " --> pdb=" O ILE B 139 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N ALA B 205 " --> pdb=" O LEU B 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS B 195 " --> pdb=" O TYR B 168 " (cutoff:3.500A) Processing sheet with id= 6, first strand: chain 'B' and resid 223 through 228 removed outlier: 7.055A pdb=" N ARG B 236 " --> pdb=" O GLU B 228 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'C' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR C 242 " --> pdb=" O GLY C 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP C 214 " --> pdb=" O VAL C 248 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'C' and resid 137 through 141 removed outlier: 6.151A pdb=" N ARG C 137 " --> pdb=" O LEU C 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS C 257 " --> pdb=" O ILE C 139 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N ALA C 205 " --> pdb=" O LEU C 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS C 195 " --> pdb=" O TYR C 168 " (cutoff:3.500A) Processing sheet with id= 9, first strand: chain 'C' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG C 236 " --> pdb=" O GLU C 228 " (cutoff:3.500A) Processing sheet with id= 10, first strand: chain 'D' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR D 242 " --> pdb=" O GLY D 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP D 214 " --> pdb=" O VAL D 248 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'D' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG D 137 " --> pdb=" O LEU D 253 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N LYS D 257 " --> pdb=" O ILE D 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA D 205 " --> pdb=" O LEU D 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS D 195 " --> pdb=" O TYR D 168 " (cutoff:3.500A) Processing sheet with id= 12, first strand: chain 'D' and resid 223 through 228 removed outlier: 7.055A pdb=" N ARG D 236 " --> pdb=" O GLU D 228 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'E' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR E 242 " --> pdb=" O GLY E 220 " (cutoff:3.500A) removed outlier: 8.168A pdb=" N ASP E 214 " --> pdb=" O VAL E 248 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'E' and resid 137 through 141 removed outlier: 6.151A pdb=" N ARG E 137 " --> pdb=" O LEU E 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS E 257 " --> pdb=" O ILE E 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA E 205 " --> pdb=" O LEU E 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS E 195 " --> pdb=" O TYR E 168 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'E' and resid 223 through 228 removed outlier: 7.055A pdb=" N ARG E 236 " --> pdb=" O GLU E 228 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'F' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR F 242 " --> pdb=" O GLY F 220 " (cutoff:3.500A) removed outlier: 8.166A pdb=" N ASP F 214 " --> pdb=" O VAL F 248 " (cutoff:3.500A) Processing sheet with id= 17, first strand: chain 'F' and resid 137 through 141 removed outlier: 6.151A pdb=" N ARG F 137 " --> pdb=" O LEU F 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS F 257 " --> pdb=" O ILE F 139 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N ALA F 205 " --> pdb=" O LEU F 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS F 195 " --> pdb=" O TYR F 168 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain 'F' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG F 236 " --> pdb=" O GLU F 228 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'G' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR G 242 " --> pdb=" O GLY G 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP G 214 " --> pdb=" O VAL G 248 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'G' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG G 137 " --> pdb=" O LEU G 253 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N LYS G 257 " --> pdb=" O ILE G 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA G 205 " --> pdb=" O LEU G 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS G 195 " --> pdb=" O TYR G 168 " (cutoff:3.500A) Processing sheet with id= 21, first strand: chain 'G' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG G 236 " --> pdb=" O GLU G 228 " (cutoff:3.500A) Processing sheet with id= 22, first strand: chain 'H' and resid 75 through 84 removed outlier: 6.640A pdb=" N THR H 242 " --> pdb=" O GLY H 220 " (cutoff:3.500A) removed outlier: 8.168A pdb=" N ASP H 214 " --> pdb=" O VAL H 248 " (cutoff:3.500A) Processing sheet with id= 23, first strand: chain 'H' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG H 137 " --> pdb=" O LEU H 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS H 257 " --> pdb=" O ILE H 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA H 205 " --> pdb=" O LEU H 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS H 195 " --> pdb=" O TYR H 168 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'H' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG H 236 " --> pdb=" O GLU H 228 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'I' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR I 242 " --> pdb=" O GLY I 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP I 214 " --> pdb=" O VAL I 248 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'I' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG I 137 " --> pdb=" O LEU I 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS I 257 " --> pdb=" O ILE I 139 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N ALA I 205 " --> pdb=" O LEU I 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS I 195 " --> pdb=" O TYR I 168 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'I' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG I 236 " --> pdb=" O GLU I 228 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 'J' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR J 242 " --> pdb=" O GLY J 220 " (cutoff:3.500A) removed outlier: 8.168A pdb=" N ASP J 214 " --> pdb=" O VAL J 248 " (cutoff:3.500A) Processing sheet with id= 29, first strand: chain 'J' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG J 137 " --> pdb=" O LEU J 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS J 257 " --> pdb=" O ILE J 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA J 205 " --> pdb=" O LEU J 256 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LYS J 195 " --> pdb=" O TYR J 168 " (cutoff:3.500A) Processing sheet with id= 30, first strand: chain 'J' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG J 236 " --> pdb=" O GLU J 228 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'K' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR K 242 " --> pdb=" O GLY K 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP K 214 " --> pdb=" O VAL K 248 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain 'K' and resid 137 through 141 removed outlier: 6.151A pdb=" N ARG K 137 " --> pdb=" O LEU K 253 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N LYS K 257 " --> pdb=" O ILE K 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA K 205 " --> pdb=" O LEU K 256 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LYS K 195 " --> pdb=" O TYR K 168 " (cutoff:3.500A) Processing sheet with id= 33, first strand: chain 'K' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG K 236 " --> pdb=" O GLU K 228 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain 'L' and resid 75 through 84 removed outlier: 6.640A pdb=" N THR L 242 " --> pdb=" O GLY L 220 " (cutoff:3.500A) removed outlier: 8.166A pdb=" N ASP L 214 " --> pdb=" O VAL L 248 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'L' and resid 137 through 141 removed outlier: 6.149A pdb=" N ARG L 137 " --> pdb=" O LEU L 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS L 257 " --> pdb=" O ILE L 139 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N ALA L 205 " --> pdb=" O LEU L 256 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LYS L 195 " --> pdb=" O TYR L 168 " (cutoff:3.500A) Processing sheet with id= 36, first strand: chain 'L' and resid 223 through 228 removed outlier: 7.055A pdb=" N ARG L 236 " --> pdb=" O GLU L 228 " (cutoff:3.500A) Processing sheet with id= 37, first strand: chain 'M' and resid 75 through 84 removed outlier: 6.640A pdb=" N THR M 242 " --> pdb=" O GLY M 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP M 214 " --> pdb=" O VAL M 248 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'M' and resid 137 through 141 removed outlier: 6.151A pdb=" N ARG M 137 " --> pdb=" O LEU M 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS M 257 " --> pdb=" O ILE M 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA M 205 " --> pdb=" O LEU M 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS M 195 " --> pdb=" O TYR M 168 " (cutoff:3.500A) Processing sheet with id= 39, first strand: chain 'M' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG M 236 " --> pdb=" O GLU M 228 " (cutoff:3.500A) Processing sheet with id= 40, first strand: chain 'N' and resid 75 through 84 removed outlier: 6.640A pdb=" N THR N 242 " --> pdb=" O GLY N 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP N 214 " --> pdb=" O VAL N 248 " (cutoff:3.500A) Processing sheet with id= 41, first strand: chain 'N' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG N 137 " --> pdb=" O LEU N 253 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N LYS N 257 " --> pdb=" O ILE N 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA N 205 " --> pdb=" O LEU N 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS N 195 " --> pdb=" O TYR N 168 " (cutoff:3.500A) Processing sheet with id= 42, first strand: chain 'N' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG N 236 " --> pdb=" O GLU N 228 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'O' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR O 242 " --> pdb=" O GLY O 220 " (cutoff:3.500A) removed outlier: 8.168A pdb=" N ASP O 214 " --> pdb=" O VAL O 248 " (cutoff:3.500A) Processing sheet with id= 44, first strand: chain 'O' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG O 137 " --> pdb=" O LEU O 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS O 257 " --> pdb=" O ILE O 139 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N ALA O 205 " --> pdb=" O LEU O 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS O 195 " --> pdb=" O TYR O 168 " (cutoff:3.500A) Processing sheet with id= 45, first strand: chain 'O' and resid 223 through 228 removed outlier: 7.055A pdb=" N ARG O 236 " --> pdb=" O GLU O 228 " (cutoff:3.500A) Processing sheet with id= 46, first strand: chain 'P' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR P 242 " --> pdb=" O GLY P 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP P 214 " --> pdb=" O VAL P 248 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'P' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG P 137 " --> pdb=" O LEU P 253 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N LYS P 257 " --> pdb=" O ILE P 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA P 205 " --> pdb=" O LEU P 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS P 195 " --> pdb=" O TYR P 168 " (cutoff:3.500A) Processing sheet with id= 48, first strand: chain 'P' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG P 236 " --> pdb=" O GLU P 228 " (cutoff:3.500A) Processing sheet with id= 49, first strand: chain 'Q' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR Q 242 " --> pdb=" O GLY Q 220 " (cutoff:3.500A) removed outlier: 8.168A pdb=" N ASP Q 214 " --> pdb=" O VAL Q 248 " (cutoff:3.500A) Processing sheet with id= 50, first strand: chain 'Q' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG Q 137 " --> pdb=" O LEU Q 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS Q 257 " --> pdb=" O ILE Q 139 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N ALA Q 205 " --> pdb=" O LEU Q 256 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LYS Q 195 " --> pdb=" O TYR Q 168 " (cutoff:3.500A) Processing sheet with id= 51, first strand: chain 'Q' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG Q 236 " --> pdb=" O GLU Q 228 " (cutoff:3.500A) Processing sheet with id= 52, first strand: chain 'R' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR R 242 " --> pdb=" O GLY R 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP R 214 " --> pdb=" O VAL R 248 " (cutoff:3.500A) Processing sheet with id= 53, first strand: chain 'R' and resid 137 through 141 removed outlier: 6.149A pdb=" N ARG R 137 " --> pdb=" O LEU R 253 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N LYS R 257 " --> pdb=" O ILE R 139 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N ALA R 205 " --> pdb=" O LEU R 256 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LYS R 195 " --> pdb=" O TYR R 168 " (cutoff:3.500A) Processing sheet with id= 54, first strand: chain 'R' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG R 236 " --> pdb=" O GLU R 228 " (cutoff:3.500A) Processing sheet with id= 55, first strand: chain 'S' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR S 242 " --> pdb=" O GLY S 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP S 214 " --> pdb=" O VAL S 248 " (cutoff:3.500A) Processing sheet with id= 56, first strand: chain 'S' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG S 137 " --> pdb=" O LEU S 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS S 257 " --> pdb=" O ILE S 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA S 205 " --> pdb=" O LEU S 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS S 195 " --> pdb=" O TYR S 168 " (cutoff:3.500A) Processing sheet with id= 57, first strand: chain 'S' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG S 236 " --> pdb=" O GLU S 228 " (cutoff:3.500A) Processing sheet with id= 58, first strand: chain 'T' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR T 242 " --> pdb=" O GLY T 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP T 214 " --> pdb=" O VAL T 248 " (cutoff:3.500A) Processing sheet with id= 59, first strand: chain 'T' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG T 137 " --> pdb=" O LEU T 253 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N LYS T 257 " --> pdb=" O ILE T 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA T 205 " --> pdb=" O LEU T 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS T 195 " --> pdb=" O TYR T 168 " (cutoff:3.500A) Processing sheet with id= 60, first strand: chain 'T' and resid 223 through 228 removed outlier: 7.055A pdb=" N ARG T 236 " --> pdb=" O GLU T 228 " (cutoff:3.500A) Processing sheet with id= 61, first strand: chain 'U' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR U 242 " --> pdb=" O GLY U 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP U 214 " --> pdb=" O VAL U 248 " (cutoff:3.500A) Processing sheet with id= 62, first strand: chain 'U' and resid 137 through 141 removed outlier: 6.149A pdb=" N ARG U 137 " --> pdb=" O LEU U 253 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N LYS U 257 " --> pdb=" O ILE U 139 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N ALA U 205 " --> pdb=" O LEU U 256 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LYS U 195 " --> pdb=" O TYR U 168 " (cutoff:3.500A) Processing sheet with id= 63, first strand: chain 'U' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG U 236 " --> pdb=" O GLU U 228 " (cutoff:3.500A) Processing sheet with id= 64, first strand: chain 'V' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR V 242 " --> pdb=" O GLY V 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP V 214 " --> pdb=" O VAL V 248 " (cutoff:3.500A) Processing sheet with id= 65, first strand: chain 'V' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG V 137 " --> pdb=" O LEU V 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS V 257 " --> pdb=" O ILE V 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA V 205 " --> pdb=" O LEU V 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS V 195 " --> pdb=" O TYR V 168 " (cutoff:3.500A) Processing sheet with id= 66, first strand: chain 'V' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG V 236 " --> pdb=" O GLU V 228 " (cutoff:3.500A) Processing sheet with id= 67, first strand: chain 'W' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR W 242 " --> pdb=" O GLY W 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP W 214 " --> pdb=" O VAL W 248 " (cutoff:3.500A) Processing sheet with id= 68, first strand: chain 'W' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG W 137 " --> pdb=" O LEU W 253 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N LYS W 257 " --> pdb=" O ILE W 139 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N ALA W 205 " --> pdb=" O LEU W 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS W 195 " --> pdb=" O TYR W 168 " (cutoff:3.500A) Processing sheet with id= 69, first strand: chain 'W' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG W 236 " --> pdb=" O GLU W 228 " (cutoff:3.500A) Processing sheet with id= 70, first strand: chain 'X' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR X 242 " --> pdb=" O GLY X 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP X 214 " --> pdb=" O VAL X 248 " (cutoff:3.500A) Processing sheet with id= 71, first strand: chain 'X' and resid 137 through 141 removed outlier: 6.151A pdb=" N ARG X 137 " --> pdb=" O LEU X 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS X 257 " --> pdb=" O ILE X 139 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N ALA X 205 " --> pdb=" O LEU X 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS X 195 " --> pdb=" O TYR X 168 " (cutoff:3.500A) Processing sheet with id= 72, first strand: chain 'X' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG X 236 " --> pdb=" O GLU X 228 " (cutoff:3.500A) Processing sheet with id= 73, first strand: chain 'Y' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR Y 242 " --> pdb=" O GLY Y 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP Y 214 " --> pdb=" O VAL Y 248 " (cutoff:3.500A) Processing sheet with id= 74, first strand: chain 'Y' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG Y 137 " --> pdb=" O LEU Y 253 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N LYS Y 257 " --> pdb=" O ILE Y 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA Y 205 " --> pdb=" O LEU Y 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS Y 195 " --> pdb=" O TYR Y 168 " (cutoff:3.500A) Processing sheet with id= 75, first strand: chain 'Y' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG Y 236 " --> pdb=" O GLU Y 228 " (cutoff:3.500A) Processing sheet with id= 76, first strand: chain 'Z' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR Z 242 " --> pdb=" O GLY Z 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP Z 214 " --> pdb=" O VAL Z 248 " (cutoff:3.500A) Processing sheet with id= 77, first strand: chain 'Z' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG Z 137 " --> pdb=" O LEU Z 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS Z 257 " --> pdb=" O ILE Z 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA Z 205 " --> pdb=" O LEU Z 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS Z 195 " --> pdb=" O TYR Z 168 " (cutoff:3.500A) Processing sheet with id= 78, first strand: chain 'Z' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG Z 236 " --> pdb=" O GLU Z 228 " (cutoff:3.500A) Processing sheet with id= 79, first strand: chain '0' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR 0 242 " --> pdb=" O GLY 0 220 " (cutoff:3.500A) removed outlier: 8.168A pdb=" N ASP 0 214 " --> pdb=" O VAL 0 248 " (cutoff:3.500A) Processing sheet with id= 80, first strand: chain '0' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG 0 137 " --> pdb=" O LEU 0 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS 0 257 " --> pdb=" O ILE 0 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA 0 205 " --> pdb=" O LEU 0 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS 0 195 " --> pdb=" O TYR 0 168 " (cutoff:3.500A) Processing sheet with id= 81, first strand: chain '0' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG 0 236 " --> pdb=" O GLU 0 228 " (cutoff:3.500A) Processing sheet with id= 82, first strand: chain '1' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR 1 242 " --> pdb=" O GLY 1 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP 1 214 " --> pdb=" O VAL 1 248 " (cutoff:3.500A) Processing sheet with id= 83, first strand: chain '1' and resid 137 through 141 removed outlier: 6.151A pdb=" N ARG 1 137 " --> pdb=" O LEU 1 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS 1 257 " --> pdb=" O ILE 1 139 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N ALA 1 205 " --> pdb=" O LEU 1 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS 1 195 " --> pdb=" O TYR 1 168 " (cutoff:3.500A) Processing sheet with id= 84, first strand: chain '1' and resid 223 through 228 removed outlier: 7.055A pdb=" N ARG 1 236 " --> pdb=" O GLU 1 228 " (cutoff:3.500A) Processing sheet with id= 85, first strand: chain '2' and resid 75 through 84 removed outlier: 6.640A pdb=" N THR 2 242 " --> pdb=" O GLY 2 220 " (cutoff:3.500A) removed outlier: 8.168A pdb=" N ASP 2 214 " --> pdb=" O VAL 2 248 " (cutoff:3.500A) Processing sheet with id= 86, first strand: chain '2' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG 2 137 " --> pdb=" O LEU 2 253 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N LYS 2 257 " --> pdb=" O ILE 2 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA 2 205 " --> pdb=" O LEU 2 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS 2 195 " --> pdb=" O TYR 2 168 " (cutoff:3.500A) Processing sheet with id= 87, first strand: chain '2' and resid 223 through 228 removed outlier: 7.055A pdb=" N ARG 2 236 " --> pdb=" O GLU 2 228 " (cutoff:3.500A) Processing sheet with id= 88, first strand: chain '3' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR 3 242 " --> pdb=" O GLY 3 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP 3 214 " --> pdb=" O VAL 3 248 " (cutoff:3.500A) Processing sheet with id= 89, first strand: chain '3' and resid 137 through 141 removed outlier: 6.151A pdb=" N ARG 3 137 " --> pdb=" O LEU 3 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS 3 257 " --> pdb=" O ILE 3 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA 3 205 " --> pdb=" O LEU 3 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS 3 195 " --> pdb=" O TYR 3 168 " (cutoff:3.500A) Processing sheet with id= 90, first strand: chain '3' and resid 223 through 228 removed outlier: 7.055A pdb=" N ARG 3 236 " --> pdb=" O GLU 3 228 " (cutoff:3.500A) Processing sheet with id= 91, first strand: chain '4' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR 4 242 " --> pdb=" O GLY 4 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP 4 214 " --> pdb=" O VAL 4 248 " (cutoff:3.500A) Processing sheet with id= 92, first strand: chain '4' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG 4 137 " --> pdb=" O LEU 4 253 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N LYS 4 257 " --> pdb=" O ILE 4 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA 4 205 " --> pdb=" O LEU 4 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS 4 195 " --> pdb=" O TYR 4 168 " (cutoff:3.500A) Processing sheet with id= 93, first strand: chain '4' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG 4 236 " --> pdb=" O GLU 4 228 " (cutoff:3.500A) Processing sheet with id= 94, first strand: chain '5' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR 5 242 " --> pdb=" O GLY 5 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP 5 214 " --> pdb=" O VAL 5 248 " (cutoff:3.500A) Processing sheet with id= 95, first strand: chain '5' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG 5 137 " --> pdb=" O LEU 5 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS 5 257 " --> pdb=" O ILE 5 139 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N ALA 5 205 " --> pdb=" O LEU 5 256 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LYS 5 195 " --> pdb=" O TYR 5 168 " (cutoff:3.500A) Processing sheet with id= 96, first strand: chain '5' and resid 223 through 228 removed outlier: 7.053A pdb=" N ARG 5 236 " --> pdb=" O GLU 5 228 " (cutoff:3.500A) Processing sheet with id= 97, first strand: chain '6' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR 6 242 " --> pdb=" O GLY 6 220 " (cutoff:3.500A) removed outlier: 8.168A pdb=" N ASP 6 214 " --> pdb=" O VAL 6 248 " (cutoff:3.500A) Processing sheet with id= 98, first strand: chain '6' and resid 137 through 141 removed outlier: 6.151A pdb=" N ARG 6 137 " --> pdb=" O LEU 6 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS 6 257 " --> pdb=" O ILE 6 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA 6 205 " --> pdb=" O LEU 6 256 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LYS 6 195 " --> pdb=" O TYR 6 168 " (cutoff:3.500A) Processing sheet with id= 99, first strand: chain '6' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG 6 236 " --> pdb=" O GLU 6 228 " (cutoff:3.500A) Processing sheet with id=100, first strand: chain '7' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR 7 242 " --> pdb=" O GLY 7 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP 7 214 " --> pdb=" O VAL 7 248 " (cutoff:3.500A) Processing sheet with id=101, first strand: chain '7' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG 7 137 " --> pdb=" O LEU 7 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS 7 257 " --> pdb=" O ILE 7 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA 7 205 " --> pdb=" O LEU 7 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS 7 195 " --> pdb=" O TYR 7 168 " (cutoff:3.500A) Processing sheet with id=102, first strand: chain '7' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG 7 236 " --> pdb=" O GLU 7 228 " (cutoff:3.500A) Processing sheet with id=103, first strand: chain '8' and resid 75 through 84 removed outlier: 6.640A pdb=" N THR 8 242 " --> pdb=" O GLY 8 220 " (cutoff:3.500A) removed outlier: 8.166A pdb=" N ASP 8 214 " --> pdb=" O VAL 8 248 " (cutoff:3.500A) Processing sheet with id=104, first strand: chain '8' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG 8 137 " --> pdb=" O LEU 8 253 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N LYS 8 257 " --> pdb=" O ILE 8 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA 8 205 " --> pdb=" O LEU 8 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS 8 195 " --> pdb=" O TYR 8 168 " (cutoff:3.500A) Processing sheet with id=105, first strand: chain '8' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG 8 236 " --> pdb=" O GLU 8 228 " (cutoff:3.500A) Processing sheet with id=106, first strand: chain '9' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR 9 242 " --> pdb=" O GLY 9 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP 9 214 " --> pdb=" O VAL 9 248 " (cutoff:3.500A) Processing sheet with id=107, first strand: chain '9' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG 9 137 " --> pdb=" O LEU 9 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS 9 257 " --> pdb=" O ILE 9 139 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N ALA 9 205 " --> pdb=" O LEU 9 256 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LYS 9 195 " --> pdb=" O TYR 9 168 " (cutoff:3.500A) Processing sheet with id=108, first strand: chain '9' and resid 223 through 228 removed outlier: 7.055A pdb=" N ARG 9 236 " --> pdb=" O GLU 9 228 " (cutoff:3.500A) Processing sheet with id=109, first strand: chain 'a' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR a 242 " --> pdb=" O GLY a 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP a 214 " --> pdb=" O VAL a 248 " (cutoff:3.500A) Processing sheet with id=110, first strand: chain 'a' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG a 137 " --> pdb=" O LEU a 253 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N LYS a 257 " --> pdb=" O ILE a 139 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N ALA a 205 " --> pdb=" O LEU a 256 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LYS a 195 " --> pdb=" O TYR a 168 " (cutoff:3.500A) Processing sheet with id=111, first strand: chain 'a' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG a 236 " --> pdb=" O GLU a 228 " (cutoff:3.500A) Processing sheet with id=112, first strand: chain 'b' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR b 242 " --> pdb=" O GLY b 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP b 214 " --> pdb=" O VAL b 248 " (cutoff:3.500A) Processing sheet with id=113, first strand: chain 'b' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG b 137 " --> pdb=" O LEU b 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS b 257 " --> pdb=" O ILE b 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA b 205 " --> pdb=" O LEU b 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS b 195 " --> pdb=" O TYR b 168 " (cutoff:3.500A) Processing sheet with id=114, first strand: chain 'b' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG b 236 " --> pdb=" O GLU b 228 " (cutoff:3.500A) Processing sheet with id=115, first strand: chain 'c' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR c 242 " --> pdb=" O GLY c 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP c 214 " --> pdb=" O VAL c 248 " (cutoff:3.500A) Processing sheet with id=116, first strand: chain 'c' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG c 137 " --> pdb=" O LEU c 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS c 257 " --> pdb=" O ILE c 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA c 205 " --> pdb=" O LEU c 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS c 195 " --> pdb=" O TYR c 168 " (cutoff:3.500A) Processing sheet with id=117, first strand: chain 'c' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG c 236 " --> pdb=" O GLU c 228 " (cutoff:3.500A) Processing sheet with id=118, first strand: chain 'd' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR d 242 " --> pdb=" O GLY d 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP d 214 " --> pdb=" O VAL d 248 " (cutoff:3.500A) Processing sheet with id=119, first strand: chain 'd' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG d 137 " --> pdb=" O LEU d 253 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N LYS d 257 " --> pdb=" O ILE d 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA d 205 " --> pdb=" O LEU d 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS d 195 " --> pdb=" O TYR d 168 " (cutoff:3.500A) Processing sheet with id=120, first strand: chain 'd' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG d 236 " --> pdb=" O GLU d 228 " (cutoff:3.500A) Processing sheet with id=121, first strand: chain 'e' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR e 242 " --> pdb=" O GLY e 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP e 214 " --> pdb=" O VAL e 248 " (cutoff:3.500A) Processing sheet with id=122, first strand: chain 'e' and resid 137 through 141 removed outlier: 6.151A pdb=" N ARG e 137 " --> pdb=" O LEU e 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS e 257 " --> pdb=" O ILE e 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA e 205 " --> pdb=" O LEU e 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS e 195 " --> pdb=" O TYR e 168 " (cutoff:3.500A) Processing sheet with id=123, first strand: chain 'e' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG e 236 " --> pdb=" O GLU e 228 " (cutoff:3.500A) Processing sheet with id=124, first strand: chain 'f' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR f 242 " --> pdb=" O GLY f 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP f 214 " --> pdb=" O VAL f 248 " (cutoff:3.500A) Processing sheet with id=125, first strand: chain 'f' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG f 137 " --> pdb=" O LEU f 253 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N LYS f 257 " --> pdb=" O ILE f 139 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N ALA f 205 " --> pdb=" O LEU f 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS f 195 " --> pdb=" O TYR f 168 " (cutoff:3.500A) Processing sheet with id=126, first strand: chain 'f' and resid 223 through 228 removed outlier: 7.055A pdb=" N ARG f 236 " --> pdb=" O GLU f 228 " (cutoff:3.500A) Processing sheet with id=127, first strand: chain 'g' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR g 242 " --> pdb=" O GLY g 220 " (cutoff:3.500A) removed outlier: 8.168A pdb=" N ASP g 214 " --> pdb=" O VAL g 248 " (cutoff:3.500A) Processing sheet with id=128, first strand: chain 'g' and resid 137 through 141 removed outlier: 6.151A pdb=" N ARG g 137 " --> pdb=" O LEU g 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS g 257 " --> pdb=" O ILE g 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA g 205 " --> pdb=" O LEU g 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS g 195 " --> pdb=" O TYR g 168 " (cutoff:3.500A) Processing sheet with id=129, first strand: chain 'g' and resid 223 through 228 removed outlier: 7.055A pdb=" N ARG g 236 " --> pdb=" O GLU g 228 " (cutoff:3.500A) Processing sheet with id=130, first strand: chain 'h' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR h 242 " --> pdb=" O GLY h 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP h 214 " --> pdb=" O VAL h 248 " (cutoff:3.500A) Processing sheet with id=131, first strand: chain 'h' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG h 137 " --> pdb=" O LEU h 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS h 257 " --> pdb=" O ILE h 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA h 205 " --> pdb=" O LEU h 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS h 195 " --> pdb=" O TYR h 168 " (cutoff:3.500A) Processing sheet with id=132, first strand: chain 'h' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG h 236 " --> pdb=" O GLU h 228 " (cutoff:3.500A) Processing sheet with id=133, first strand: chain 'i' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR i 242 " --> pdb=" O GLY i 220 " (cutoff:3.500A) removed outlier: 8.168A pdb=" N ASP i 214 " --> pdb=" O VAL i 248 " (cutoff:3.500A) Processing sheet with id=134, first strand: chain 'i' and resid 137 through 141 removed outlier: 6.151A pdb=" N ARG i 137 " --> pdb=" O LEU i 253 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N LYS i 257 " --> pdb=" O ILE i 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA i 205 " --> pdb=" O LEU i 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS i 195 " --> pdb=" O TYR i 168 " (cutoff:3.500A) Processing sheet with id=135, first strand: chain 'i' and resid 223 through 228 removed outlier: 7.055A pdb=" N ARG i 236 " --> pdb=" O GLU i 228 " (cutoff:3.500A) Processing sheet with id=136, first strand: chain 'j' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR j 242 " --> pdb=" O GLY j 220 " (cutoff:3.500A) removed outlier: 8.168A pdb=" N ASP j 214 " --> pdb=" O VAL j 248 " (cutoff:3.500A) Processing sheet with id=137, first strand: chain 'j' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG j 137 " --> pdb=" O LEU j 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS j 257 " --> pdb=" O ILE j 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA j 205 " --> pdb=" O LEU j 256 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LYS j 195 " --> pdb=" O TYR j 168 " (cutoff:3.500A) Processing sheet with id=138, first strand: chain 'j' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG j 236 " --> pdb=" O GLU j 228 " (cutoff:3.500A) Processing sheet with id=139, first strand: chain 'k' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR k 242 " --> pdb=" O GLY k 220 " (cutoff:3.500A) removed outlier: 8.166A pdb=" N ASP k 214 " --> pdb=" O VAL k 248 " (cutoff:3.500A) Processing sheet with id=140, first strand: chain 'k' and resid 137 through 141 removed outlier: 6.149A pdb=" N ARG k 137 " --> pdb=" O LEU k 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS k 257 " --> pdb=" O ILE k 139 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N ALA k 205 " --> pdb=" O LEU k 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS k 195 " --> pdb=" O TYR k 168 " (cutoff:3.500A) Processing sheet with id=141, first strand: chain 'k' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG k 236 " --> pdb=" O GLU k 228 " (cutoff:3.500A) Processing sheet with id=142, first strand: chain 'l' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR l 242 " --> pdb=" O GLY l 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP l 214 " --> pdb=" O VAL l 248 " (cutoff:3.500A) Processing sheet with id=143, first strand: chain 'l' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG l 137 " --> pdb=" O LEU l 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS l 257 " --> pdb=" O ILE l 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA l 205 " --> pdb=" O LEU l 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS l 195 " --> pdb=" O TYR l 168 " (cutoff:3.500A) Processing sheet with id=144, first strand: chain 'l' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG l 236 " --> pdb=" O GLU l 228 " (cutoff:3.500A) Processing sheet with id=145, first strand: chain 'm' and resid 75 through 84 removed outlier: 6.640A pdb=" N THR m 242 " --> pdb=" O GLY m 220 " (cutoff:3.500A) removed outlier: 8.168A pdb=" N ASP m 214 " --> pdb=" O VAL m 248 " (cutoff:3.500A) Processing sheet with id=146, first strand: chain 'm' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG m 137 " --> pdb=" O LEU m 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS m 257 " --> pdb=" O ILE m 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA m 205 " --> pdb=" O LEU m 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS m 195 " --> pdb=" O TYR m 168 " (cutoff:3.500A) Processing sheet with id=147, first strand: chain 'm' and resid 223 through 228 removed outlier: 7.055A pdb=" N ARG m 236 " --> pdb=" O GLU m 228 " (cutoff:3.500A) Processing sheet with id=148, first strand: chain 'n' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR n 242 " --> pdb=" O GLY n 220 " (cutoff:3.500A) removed outlier: 8.168A pdb=" N ASP n 214 " --> pdb=" O VAL n 248 " (cutoff:3.500A) Processing sheet with id=149, first strand: chain 'n' and resid 137 through 141 removed outlier: 6.151A pdb=" N ARG n 137 " --> pdb=" O LEU n 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS n 257 " --> pdb=" O ILE n 139 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N ALA n 205 " --> pdb=" O LEU n 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS n 195 " --> pdb=" O TYR n 168 " (cutoff:3.500A) Processing sheet with id=150, first strand: chain 'n' and resid 223 through 228 removed outlier: 7.055A pdb=" N ARG n 236 " --> pdb=" O GLU n 228 " (cutoff:3.500A) Processing sheet with id=151, first strand: chain 'o' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR o 242 " --> pdb=" O GLY o 220 " (cutoff:3.500A) removed outlier: 8.168A pdb=" N ASP o 214 " --> pdb=" O VAL o 248 " (cutoff:3.500A) Processing sheet with id=152, first strand: chain 'o' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG o 137 " --> pdb=" O LEU o 253 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N LYS o 257 " --> pdb=" O ILE o 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA o 205 " --> pdb=" O LEU o 256 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LYS o 195 " --> pdb=" O TYR o 168 " (cutoff:3.500A) Processing sheet with id=153, first strand: chain 'o' and resid 223 through 228 removed outlier: 7.055A pdb=" N ARG o 236 " --> pdb=" O GLU o 228 " (cutoff:3.500A) Processing sheet with id=154, first strand: chain 'p' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR p 242 " --> pdb=" O GLY p 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP p 214 " --> pdb=" O VAL p 248 " (cutoff:3.500A) Processing sheet with id=155, first strand: chain 'p' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG p 137 " --> pdb=" O LEU p 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS p 257 " --> pdb=" O ILE p 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA p 205 " --> pdb=" O LEU p 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS p 195 " --> pdb=" O TYR p 168 " (cutoff:3.500A) Processing sheet with id=156, first strand: chain 'p' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG p 236 " --> pdb=" O GLU p 228 " (cutoff:3.500A) Processing sheet with id=157, first strand: chain 'q' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR q 242 " --> pdb=" O GLY q 220 " (cutoff:3.500A) removed outlier: 8.168A pdb=" N ASP q 214 " --> pdb=" O VAL q 248 " (cutoff:3.500A) Processing sheet with id=158, first strand: chain 'q' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG q 137 " --> pdb=" O LEU q 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS q 257 " --> pdb=" O ILE q 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA q 205 " --> pdb=" O LEU q 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS q 195 " --> pdb=" O TYR q 168 " (cutoff:3.500A) Processing sheet with id=159, first strand: chain 'q' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG q 236 " --> pdb=" O GLU q 228 " (cutoff:3.500A) Processing sheet with id=160, first strand: chain 'r' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR r 242 " --> pdb=" O GLY r 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP r 214 " --> pdb=" O VAL r 248 " (cutoff:3.500A) Processing sheet with id=161, first strand: chain 'r' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG r 137 " --> pdb=" O LEU r 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS r 257 " --> pdb=" O ILE r 139 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N ALA r 205 " --> pdb=" O LEU r 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS r 195 " --> pdb=" O TYR r 168 " (cutoff:3.500A) Processing sheet with id=162, first strand: chain 'r' and resid 223 through 228 removed outlier: 7.055A pdb=" N ARG r 236 " --> pdb=" O GLU r 228 " (cutoff:3.500A) Processing sheet with id=163, first strand: chain 's' and resid 75 through 84 removed outlier: 6.640A pdb=" N THR s 242 " --> pdb=" O GLY s 220 " (cutoff:3.500A) removed outlier: 8.168A pdb=" N ASP s 214 " --> pdb=" O VAL s 248 " (cutoff:3.500A) Processing sheet with id=164, first strand: chain 's' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG s 137 " --> pdb=" O LEU s 253 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N LYS s 257 " --> pdb=" O ILE s 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA s 205 " --> pdb=" O LEU s 256 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LYS s 195 " --> pdb=" O TYR s 168 " (cutoff:3.500A) Processing sheet with id=165, first strand: chain 's' and resid 223 through 228 removed outlier: 7.055A pdb=" N ARG s 236 " --> pdb=" O GLU s 228 " (cutoff:3.500A) Processing sheet with id=166, first strand: chain 't' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR t 242 " --> pdb=" O GLY t 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP t 214 " --> pdb=" O VAL t 248 " (cutoff:3.500A) Processing sheet with id=167, first strand: chain 't' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG t 137 " --> pdb=" O LEU t 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS t 257 " --> pdb=" O ILE t 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA t 205 " --> pdb=" O LEU t 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS t 195 " --> pdb=" O TYR t 168 " (cutoff:3.500A) Processing sheet with id=168, first strand: chain 't' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG t 236 " --> pdb=" O GLU t 228 " (cutoff:3.500A) Processing sheet with id=169, first strand: chain 'u' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR u 242 " --> pdb=" O GLY u 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP u 214 " --> pdb=" O VAL u 248 " (cutoff:3.500A) Processing sheet with id=170, first strand: chain 'u' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG u 137 " --> pdb=" O LEU u 253 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N LYS u 257 " --> pdb=" O ILE u 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA u 205 " --> pdb=" O LEU u 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS u 195 " --> pdb=" O TYR u 168 " (cutoff:3.500A) Processing sheet with id=171, first strand: chain 'u' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG u 236 " --> pdb=" O GLU u 228 " (cutoff:3.500A) Processing sheet with id=172, first strand: chain 'v' and resid 75 through 84 removed outlier: 6.640A pdb=" N THR v 242 " --> pdb=" O GLY v 220 " (cutoff:3.500A) removed outlier: 8.168A pdb=" N ASP v 214 " --> pdb=" O VAL v 248 " (cutoff:3.500A) Processing sheet with id=173, first strand: chain 'v' and resid 137 through 141 removed outlier: 6.149A pdb=" N ARG v 137 " --> pdb=" O LEU v 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS v 257 " --> pdb=" O ILE v 139 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N ALA v 205 " --> pdb=" O LEU v 256 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N LYS v 195 " --> pdb=" O TYR v 168 " (cutoff:3.500A) Processing sheet with id=174, first strand: chain 'v' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG v 236 " --> pdb=" O GLU v 228 " (cutoff:3.500A) Processing sheet with id=175, first strand: chain 'w' and resid 75 through 84 removed outlier: 6.640A pdb=" N THR w 242 " --> pdb=" O GLY w 220 " (cutoff:3.500A) removed outlier: 8.168A pdb=" N ASP w 214 " --> pdb=" O VAL w 248 " (cutoff:3.500A) Processing sheet with id=176, first strand: chain 'w' and resid 137 through 141 removed outlier: 6.150A pdb=" N ARG w 137 " --> pdb=" O LEU w 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS w 257 " --> pdb=" O ILE w 139 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ALA w 205 " --> pdb=" O LEU w 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS w 195 " --> pdb=" O TYR w 168 " (cutoff:3.500A) Processing sheet with id=177, first strand: chain 'w' and resid 223 through 228 removed outlier: 7.054A pdb=" N ARG w 236 " --> pdb=" O GLU w 228 " (cutoff:3.500A) Processing sheet with id=178, first strand: chain 'x' and resid 75 through 84 removed outlier: 6.641A pdb=" N THR x 242 " --> pdb=" O GLY x 220 " (cutoff:3.500A) removed outlier: 8.167A pdb=" N ASP x 214 " --> pdb=" O VAL x 248 " (cutoff:3.500A) Processing sheet with id=179, first strand: chain 'x' and resid 137 through 141 removed outlier: 6.151A pdb=" N ARG x 137 " --> pdb=" O LEU x 253 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LYS x 257 " --> pdb=" O ILE x 139 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ALA x 205 " --> pdb=" O LEU x 256 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LYS x 195 " --> pdb=" O TYR x 168 " (cutoff:3.500A) Processing sheet with id=180, first strand: chain 'x' and resid 223 through 228 removed outlier: 7.055A pdb=" N ARG x 236 " --> pdb=" O GLU x 228 " (cutoff:3.500A) 4440 hydrogen bonds defined for protein. 13140 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: 62.32 Time building geometry restraints manager: 35.59 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.21 - 1.33: 31733 1.33 - 1.45: 24273 1.45 - 1.57: 73474 1.57 - 1.69: 0 1.69 - 1.81: 300 Bond restraints: 129780 Sorted by residual: bond pdb=" C2 RBF f 301 " pdb=" N3 RBF f 301 " ideal model delta sigma weight residual 1.397 1.339 0.058 2.00e-02 2.50e+03 8.44e+00 bond pdb=" C2 RBF s 301 " pdb=" N3 RBF s 301 " ideal model delta sigma weight residual 1.397 1.339 0.058 2.00e-02 2.50e+03 8.36e+00 bond pdb=" C2 RBF k 301 " pdb=" N3 RBF k 301 " ideal model delta sigma weight residual 1.397 1.339 0.058 2.00e-02 2.50e+03 8.32e+00 bond pdb=" C2 RBF 6 301 " pdb=" N3 RBF 6 301 " ideal model delta sigma weight residual 1.397 1.339 0.058 2.00e-02 2.50e+03 8.32e+00 bond pdb=" C2 RBF F 301 " pdb=" N3 RBF F 301 " ideal model delta sigma weight residual 1.397 1.339 0.058 2.00e-02 2.50e+03 8.32e+00 ... (remaining 129775 not shown) Histogram of bond angle deviations from ideal: 101.35 - 107.93: 3855 107.93 - 114.51: 74517 114.51 - 121.09: 61102 121.09 - 127.66: 35186 127.66 - 134.24: 720 Bond angle restraints: 175380 Sorted by residual: angle pdb=" CA LEU k 256 " pdb=" C LEU k 256 " pdb=" O LEU k 256 " ideal model delta sigma weight residual 121.39 117.76 3.63 1.12e+00 7.97e-01 1.05e+01 angle pdb=" CA LEU T 256 " pdb=" C LEU T 256 " pdb=" O LEU T 256 " ideal model delta sigma weight residual 121.39 117.78 3.61 1.12e+00 7.97e-01 1.04e+01 angle pdb=" CA LEU I 256 " pdb=" C LEU I 256 " pdb=" O LEU I 256 " ideal model delta sigma weight residual 121.39 117.78 3.61 1.12e+00 7.97e-01 1.04e+01 angle pdb=" CA LEU R 256 " pdb=" C LEU R 256 " pdb=" O LEU R 256 " ideal model delta sigma weight residual 121.39 117.79 3.60 1.12e+00 7.97e-01 1.04e+01 angle pdb=" CA LEU f 256 " pdb=" C LEU f 256 " pdb=" O LEU f 256 " ideal model delta sigma weight residual 121.39 117.79 3.60 1.12e+00 7.97e-01 1.03e+01 ... (remaining 175375 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 16.26: 68536 16.26 - 32.52: 7724 32.52 - 48.79: 1980 48.79 - 65.05: 60 65.05 - 81.31: 120 Dihedral angle restraints: 78420 sinusoidal: 33900 harmonic: 44520 Sorted by residual: dihedral pdb=" CA GLU Q 228 " pdb=" C GLU Q 228 " pdb=" N ASP Q 229 " pdb=" CA ASP Q 229 " ideal model delta harmonic sigma weight residual -180.00 -162.92 -17.08 0 5.00e+00 4.00e-02 1.17e+01 dihedral pdb=" CA GLU C 228 " pdb=" C GLU C 228 " pdb=" N ASP C 229 " pdb=" CA ASP C 229 " ideal model delta harmonic sigma weight residual -180.00 -162.94 -17.06 0 5.00e+00 4.00e-02 1.16e+01 dihedral pdb=" CA GLU 6 228 " pdb=" C GLU 6 228 " pdb=" N ASP 6 229 " pdb=" CA ASP 6 229 " ideal model delta harmonic sigma weight residual -180.00 -162.94 -17.06 0 5.00e+00 4.00e-02 1.16e+01 ... (remaining 78417 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.056: 14025 0.056 - 0.112: 4500 0.112 - 0.167: 675 0.167 - 0.223: 0 0.223 - 0.279: 180 Chirality restraints: 19380 Sorted by residual: chirality pdb=" C4' RBF a 301 " pdb=" C3' RBF a 301 " pdb=" C5' RBF a 301 " pdb=" O4' RBF a 301 " both_signs ideal model delta sigma weight residual False -2.27 -2.55 0.28 2.00e-01 2.50e+01 1.94e+00 chirality pdb=" C4' RBF o 301 " pdb=" C3' RBF o 301 " pdb=" C5' RBF o 301 " pdb=" O4' RBF o 301 " both_signs ideal model delta sigma weight residual False -2.27 -2.55 0.28 2.00e-01 2.50e+01 1.94e+00 chirality pdb=" C4' RBF F 301 " pdb=" C3' RBF F 301 " pdb=" C5' RBF F 301 " pdb=" O4' RBF F 301 " both_signs ideal model delta sigma weight residual False -2.27 -2.55 0.28 2.00e-01 2.50e+01 1.94e+00 ... (remaining 19377 not shown) Planarity restraints: 22380 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C THR U 144 " 0.030 5.00e-02 4.00e+02 4.56e-02 3.33e+00 pdb=" N PRO U 145 " -0.079 5.00e-02 4.00e+02 pdb=" CA PRO U 145 " 0.024 5.00e-02 4.00e+02 pdb=" CD PRO U 145 " 0.025 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C THR E 144 " 0.030 5.00e-02 4.00e+02 4.55e-02 3.32e+00 pdb=" N PRO E 145 " -0.079 5.00e-02 4.00e+02 pdb=" CA PRO E 145 " 0.023 5.00e-02 4.00e+02 pdb=" CD PRO E 145 " 0.025 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C THR o 144 " -0.030 5.00e-02 4.00e+02 4.55e-02 3.32e+00 pdb=" N PRO o 145 " 0.079 5.00e-02 4.00e+02 pdb=" CA PRO o 145 " -0.023 5.00e-02 4.00e+02 pdb=" CD PRO o 145 " -0.025 5.00e-02 4.00e+02 ... (remaining 22377 not shown) Histogram of nonbonded interaction distances: 2.30 - 2.82: 37856 2.82 - 3.34: 104613 3.34 - 3.86: 173039 3.86 - 4.38: 193058 4.38 - 4.90: 356014 Nonbonded interactions: 864580 Sorted by model distance: nonbonded pdb=" O LEU g 78 " pdb=" OG1 THR g 240 " model vdw 2.299 2.440 nonbonded pdb=" O LEU P 78 " pdb=" OG1 THR P 240 " model vdw 2.299 2.440 nonbonded pdb=" O LEU I 78 " pdb=" OG1 THR I 240 " model vdw 2.299 2.440 nonbonded pdb=" O LEU v 78 " pdb=" OG1 THR v 240 " model vdw 2.299 2.440 nonbonded pdb=" O LEU 1 78 " pdb=" OG1 THR 1 240 " model vdw 2.299 2.440 ... (remaining 864575 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 '0' selection = 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 '9' 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' } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as group one per residue Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 2.190 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.000 Construct map_model_manager: 0.150 Extract box with map and model: 16.160 Check model and map are aligned: 1.350 Set scattering table: 0.860 Process input model: 263.530 Find NCS groups from input model: 6.590 Set up NCS constraints: 1.590 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.020 Load rotamer database and sin/cos tables:2.200 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 294.640 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8128 moved from start: 0.0000 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.007 0.058 129780 Z= 0.438 Angle : 0.898 8.755 175380 Z= 0.495 Chirality : 0.057 0.279 19380 Planarity : 0.005 0.046 22380 Dihedral : 13.902 81.312 49620 Min Nonbonded Distance : 2.299 Molprobity Statistics. All-atom Clashscore : 5.65 Ramachandran Plot: Outliers : 0.00 % Allowed : 9.87 % Favored : 90.13 % Rotamer: Outliers : 0.87 % Allowed : 0.00 % Favored : 99.13 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.72 (0.06), residues: 15360 helix: -0.61 (0.08), residues: 4020 sheet: -0.71 (0.09), residues: 3240 loop : -3.03 (0.05), residues: 8100 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.009 0.002 TRP Y 177 HIS 0.001 0.001 HIS X 50 PHE 0.020 0.003 PHE 1 159 TYR 0.011 0.002 TYR T 227 ARG 0.005 0.001 ARG 3 79 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30720 Ramachandran restraints generated. 15360 Oldfield, 0 Emsley, 15360 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30720 Ramachandran restraints generated. 15360 Oldfield, 0 Emsley, 15360 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 600 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 120 poor density : 480 time to evaluate : 10.820 Fit side-chains REVERT: A 203 GLU cc_start: 0.7008 (mp0) cc_final: 0.6639 (tm-30) REVERT: B 62 ASN cc_start: 0.8250 (OUTLIER) cc_final: 0.8049 (p0) REVERT: D 203 GLU cc_start: 0.6844 (mp0) cc_final: 0.6528 (tm-30) REVERT: E 203 GLU cc_start: 0.6830 (mp0) cc_final: 0.6560 (tm-30) REVERT: F 203 GLU cc_start: 0.6830 (mp0) cc_final: 0.6560 (tm-30) REVERT: G 203 GLU cc_start: 0.7001 (mp0) cc_final: 0.6635 (tm-30) REVERT: H 62 ASN cc_start: 0.8252 (OUTLIER) cc_final: 0.8042 (p0) REVERT: J 203 GLU cc_start: 0.6840 (mp0) cc_final: 0.6529 (tm-30) REVERT: K 203 GLU cc_start: 0.6843 (mp0) cc_final: 0.6517 (tm-30) REVERT: L 203 GLU cc_start: 0.6827 (mp0) cc_final: 0.6564 (tm-30) REVERT: M 203 GLU cc_start: 0.6998 (mp0) cc_final: 0.6639 (tm-30) REVERT: N 62 ASN cc_start: 0.8247 (OUTLIER) cc_final: 0.8035 (p0) REVERT: Q 203 GLU cc_start: 0.6840 (mp0) cc_final: 0.6516 (tm-30) REVERT: R 203 GLU cc_start: 0.6832 (mp0) cc_final: 0.6558 (tm-30) REVERT: S 203 GLU cc_start: 0.6997 (mp0) cc_final: 0.6635 (tm-30) REVERT: T 62 ASN cc_start: 0.8258 (OUTLIER) cc_final: 0.8048 (p0) REVERT: U 203 GLU cc_start: 0.6839 (mp0) cc_final: 0.6567 (tm-30) REVERT: V 203 GLU cc_start: 0.7006 (mp0) cc_final: 0.6639 (tm-30) REVERT: Y 203 GLU cc_start: 0.6819 (mp0) cc_final: 0.6509 (tm-30) REVERT: Z 203 GLU cc_start: 0.6994 (mp0) cc_final: 0.6633 (tm-30) REVERT: 0 62 ASN cc_start: 0.8259 (OUTLIER) cc_final: 0.8048 (p0) REVERT: 2 203 GLU cc_start: 0.6833 (mp0) cc_final: 0.6526 (tm-30) REVERT: 3 203 GLU cc_start: 0.6824 (mp0) cc_final: 0.6561 (tm-30) REVERT: 5 203 GLU cc_start: 0.6842 (mp0) cc_final: 0.6530 (tm-30) REVERT: 6 203 GLU cc_start: 0.6837 (mp0) cc_final: 0.6565 (tm-30) REVERT: 7 203 GLU cc_start: 0.6970 (mp0) cc_final: 0.6618 (tm-30) REVERT: 9 203 GLU cc_start: 0.6827 (mp0) cc_final: 0.6520 (tm-30) REVERT: a 203 GLU cc_start: 0.6830 (mp0) cc_final: 0.6573 (tm-30) REVERT: b 203 GLU cc_start: 0.6984 (mp0) cc_final: 0.6629 (tm-30) REVERT: f 203 GLU cc_start: 0.6828 (mp0) cc_final: 0.6518 (tm-30) REVERT: g 203 GLU cc_start: 0.6834 (mp0) cc_final: 0.6562 (tm-30) REVERT: h 203 GLU cc_start: 0.6996 (mp0) cc_final: 0.6629 (tm-30) REVERT: j 203 GLU cc_start: 0.6816 (mp0) cc_final: 0.6515 (tm-30) REVERT: k 203 GLU cc_start: 0.6834 (mp0) cc_final: 0.6563 (tm-30) REVERT: l 203 GLU cc_start: 0.7009 (mp0) cc_final: 0.6637 (tm-30) REVERT: m 62 ASN cc_start: 0.8247 (OUTLIER) cc_final: 0.8045 (p0) REVERT: o 203 GLU cc_start: 0.6830 (mp0) cc_final: 0.6560 (tm-30) REVERT: p 203 GLU cc_start: 0.6991 (mp0) cc_final: 0.6631 (tm-30) REVERT: q 62 ASN cc_start: 0.8257 (OUTLIER) cc_final: 0.8046 (p0) REVERT: s 203 GLU cc_start: 0.6829 (mp0) cc_final: 0.6521 (tm-30) REVERT: t 203 GLU cc_start: 0.7000 (mp0) cc_final: 0.6636 (tm-30) REVERT: u 62 ASN cc_start: 0.8248 (OUTLIER) cc_final: 0.8037 (p0) REVERT: w 203 GLU cc_start: 0.6817 (mp0) cc_final: 0.6517 (tm-30) REVERT: x 203 GLU cc_start: 0.6837 (mp0) cc_final: 0.6558 (tm-30) outliers start: 120 outliers final: 0 residues processed: 480 average time/residue: 0.9533 time to fit residues: 829.3797 Evaluate side-chains 320 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 8 poor density : 312 time to evaluate : 10.707 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain B residue 62 ASN Chi-restraints excluded: chain H residue 62 ASN Chi-restraints excluded: chain N residue 62 ASN Chi-restraints excluded: chain T residue 62 ASN Chi-restraints excluded: chain 0 residue 62 ASN Chi-restraints excluded: chain m residue 62 ASN Chi-restraints excluded: chain q residue 62 ASN Chi-restraints excluded: chain u residue 62 ASN Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1500 random chunks: chunk 1266 optimal weight: 9.9990 chunk 1136 optimal weight: 10.0000 chunk 630 optimal weight: 1.9990 chunk 388 optimal weight: 8.9990 chunk 766 optimal weight: 9.9990 chunk 607 optimal weight: 6.9990 chunk 1175 optimal weight: 9.9990 chunk 454 optimal weight: 10.0000 chunk 714 optimal weight: 6.9990 chunk 875 optimal weight: 2.9990 chunk 1362 optimal weight: 10.0000 overall best weight: 5.5990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 62 ASN C 62 ASN E 62 ASN F 62 ASN G 62 ASN I 62 ASN J 62 ASN K 62 ASN L 62 ASN M 62 ASN O 62 ASN P 62 ASN Q 62 ASN R 62 ASN S 62 ASN U 62 ASN V 62 ASN X 62 ASN Y 62 ASN Z 62 ASN 1 62 ASN 2 62 ASN 3 62 ASN 4 62 ASN 5 62 ASN 6 62 ASN 7 62 ASN 9 62 ASN a 62 ASN b 62 ASN c 62 ASN d 62 ASN e 62 ASN f 62 ASN g 62 ASN h 62 ASN j 62 ASN k 62 ASN l 62 ASN n 62 ASN o 62 ASN p 62 ASN r 62 ASN s 62 ASN t 62 ASN v 62 ASN w 62 ASN x 62 ASN Total number of N/Q/H flips: 48 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8125 moved from start: 0.0809 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.028 129780 Z= 0.347 Angle : 0.706 7.860 175380 Z= 0.378 Chirality : 0.048 0.144 19380 Planarity : 0.005 0.045 22380 Dihedral : 5.864 26.996 17776 Min Nonbonded Distance : 2.285 Molprobity Statistics. All-atom Clashscore : 3.71 Ramachandran Plot: Outliers : 0.00 % Allowed : 9.93 % Favored : 90.07 % Rotamer: Outliers : 0.79 % Allowed : 5.86 % Favored : 93.36 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.62 (0.06), residues: 15360 helix: -0.55 (0.08), residues: 4020 sheet: -0.55 (0.09), residues: 3240 loop : -3.01 (0.05), residues: 8100 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.010 0.002 TRP d 177 HIS 0.001 0.000 HIS A 50 PHE 0.018 0.002 PHE R 238 TYR 0.014 0.001 TYR c 47 ARG 0.002 0.000 ARG F 137 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30720 Ramachandran restraints generated. 15360 Oldfield, 0 Emsley, 15360 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30720 Ramachandran restraints generated. 15360 Oldfield, 0 Emsley, 15360 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 420 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 108 poor density : 312 time to evaluate : 11.058 Fit side-chains REVERT: A 203 GLU cc_start: 0.7056 (mp0) cc_final: 0.6680 (tm-30) REVERT: G 203 GLU cc_start: 0.7052 (mp0) cc_final: 0.6678 (tm-30) REVERT: M 203 GLU cc_start: 0.7050 (mp0) cc_final: 0.6680 (tm-30) REVERT: S 203 GLU cc_start: 0.7049 (mp0) cc_final: 0.6677 (tm-30) REVERT: V 203 GLU cc_start: 0.7050 (mp0) cc_final: 0.6671 (tm-30) REVERT: Z 203 GLU cc_start: 0.7045 (mp0) cc_final: 0.6676 (tm-30) REVERT: 7 203 GLU cc_start: 0.7048 (mp0) cc_final: 0.6671 (tm-30) REVERT: b 203 GLU cc_start: 0.7039 (mp0) cc_final: 0.6675 (tm-30) REVERT: l 203 GLU cc_start: 0.7052 (mp0) cc_final: 0.6674 (tm-30) REVERT: p 203 GLU cc_start: 0.7039 (mp0) cc_final: 0.6672 (tm-30) REVERT: t 203 GLU cc_start: 0.7049 (mp0) cc_final: 0.6674 (tm-30) outliers start: 108 outliers final: 107 residues processed: 372 average time/residue: 0.9126 time to fit residues: 648.1399 Evaluate side-chains 406 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 107 poor density : 299 time to evaluate : 12.108 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 62 ASN Chi-restraints excluded: chain A residue 118 VAL Chi-restraints excluded: chain B residue 118 VAL Chi-restraints excluded: chain C residue 62 ASN Chi-restraints excluded: chain C residue 118 VAL Chi-restraints excluded: chain D residue 118 VAL Chi-restraints excluded: chain E residue 62 ASN Chi-restraints excluded: chain E residue 118 VAL Chi-restraints excluded: chain F residue 62 ASN Chi-restraints excluded: chain F residue 118 VAL Chi-restraints excluded: chain G residue 62 ASN Chi-restraints excluded: chain G residue 118 VAL Chi-restraints excluded: chain H residue 118 VAL Chi-restraints excluded: chain I residue 62 ASN Chi-restraints excluded: chain I residue 118 VAL Chi-restraints excluded: chain J residue 62 ASN Chi-restraints excluded: chain J residue 118 VAL Chi-restraints excluded: chain K residue 62 ASN Chi-restraints excluded: chain K residue 118 VAL Chi-restraints excluded: chain L residue 62 ASN Chi-restraints excluded: chain L residue 118 VAL Chi-restraints excluded: chain M residue 62 ASN Chi-restraints excluded: chain M residue 118 VAL Chi-restraints excluded: chain N residue 118 VAL Chi-restraints excluded: chain O residue 62 ASN Chi-restraints excluded: chain O residue 118 VAL Chi-restraints excluded: chain P residue 62 ASN Chi-restraints excluded: chain P residue 118 VAL Chi-restraints excluded: chain Q residue 62 ASN Chi-restraints excluded: chain Q residue 118 VAL Chi-restraints excluded: chain R residue 62 ASN Chi-restraints excluded: chain R residue 118 VAL Chi-restraints excluded: chain S residue 62 ASN Chi-restraints excluded: chain S residue 118 VAL Chi-restraints excluded: chain T residue 118 VAL Chi-restraints excluded: chain U residue 62 ASN Chi-restraints excluded: chain U residue 118 VAL Chi-restraints excluded: chain V residue 62 ASN Chi-restraints excluded: chain V residue 118 VAL Chi-restraints excluded: chain W residue 118 VAL Chi-restraints excluded: chain X residue 62 ASN Chi-restraints excluded: chain X residue 118 VAL Chi-restraints excluded: chain Y residue 62 ASN Chi-restraints excluded: chain Y residue 118 VAL Chi-restraints excluded: chain Z residue 62 ASN Chi-restraints excluded: chain Z residue 118 VAL Chi-restraints excluded: chain 0 residue 118 VAL Chi-restraints excluded: chain 1 residue 62 ASN Chi-restraints excluded: chain 1 residue 118 VAL Chi-restraints excluded: chain 2 residue 62 ASN Chi-restraints excluded: chain 2 residue 118 VAL Chi-restraints excluded: chain 3 residue 62 ASN Chi-restraints excluded: chain 3 residue 118 VAL Chi-restraints excluded: chain 4 residue 62 ASN Chi-restraints excluded: chain 4 residue 118 VAL Chi-restraints excluded: chain 5 residue 62 ASN Chi-restraints excluded: chain 5 residue 118 VAL Chi-restraints excluded: chain 6 residue 62 ASN Chi-restraints excluded: chain 6 residue 118 VAL Chi-restraints excluded: chain 7 residue 62 ASN Chi-restraints excluded: chain 7 residue 118 VAL Chi-restraints excluded: chain 8 residue 118 VAL Chi-restraints excluded: chain 9 residue 62 ASN Chi-restraints excluded: chain 9 residue 118 VAL Chi-restraints excluded: chain a residue 62 ASN Chi-restraints excluded: chain a residue 118 VAL Chi-restraints excluded: chain b residue 62 ASN Chi-restraints excluded: chain b residue 118 VAL Chi-restraints excluded: chain c residue 118 VAL Chi-restraints excluded: chain d residue 62 ASN Chi-restraints excluded: chain d residue 118 VAL Chi-restraints excluded: chain e residue 62 ASN Chi-restraints excluded: chain e residue 118 VAL Chi-restraints excluded: chain f residue 62 ASN Chi-restraints excluded: chain f residue 118 VAL Chi-restraints excluded: chain g residue 62 ASN Chi-restraints excluded: chain g residue 118 VAL Chi-restraints excluded: chain h residue 62 ASN Chi-restraints excluded: chain h residue 118 VAL Chi-restraints excluded: chain i residue 118 VAL Chi-restraints excluded: chain j residue 62 ASN Chi-restraints excluded: chain j residue 118 VAL Chi-restraints excluded: chain k residue 62 ASN Chi-restraints excluded: chain k residue 118 VAL Chi-restraints excluded: chain l residue 62 ASN Chi-restraints excluded: chain l residue 118 VAL Chi-restraints excluded: chain m residue 118 VAL Chi-restraints excluded: chain n residue 62 ASN Chi-restraints excluded: chain n residue 118 VAL Chi-restraints excluded: chain o residue 62 ASN Chi-restraints excluded: chain o residue 118 VAL Chi-restraints excluded: chain p residue 62 ASN Chi-restraints excluded: chain p residue 118 VAL Chi-restraints excluded: chain q residue 118 VAL Chi-restraints excluded: chain r residue 62 ASN Chi-restraints excluded: chain r residue 118 VAL Chi-restraints excluded: chain s residue 62 ASN Chi-restraints excluded: chain s residue 118 VAL Chi-restraints excluded: chain t residue 62 ASN Chi-restraints excluded: chain t residue 118 VAL Chi-restraints excluded: chain u residue 118 VAL Chi-restraints excluded: chain v residue 62 ASN Chi-restraints excluded: chain v residue 118 VAL Chi-restraints excluded: chain w residue 62 ASN Chi-restraints excluded: chain w residue 118 VAL Chi-restraints excluded: chain x residue 62 ASN Chi-restraints excluded: chain x residue 118 VAL Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1500 random chunks: chunk 757 optimal weight: 1.9990 chunk 422 optimal weight: 9.9990 chunk 1133 optimal weight: 3.9990 chunk 927 optimal weight: 8.9990 chunk 375 optimal weight: 9.9990 chunk 1364 optimal weight: 0.3980 chunk 1474 optimal weight: 3.9990 chunk 1215 optimal weight: 1.9990 chunk 1353 optimal weight: 0.0020 chunk 465 optimal weight: 6.9990 chunk 1094 optimal weight: 3.9990 overall best weight: 1.6794 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: D 62 ASN q 62 ASN Total number of N/Q/H flips: 2 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8003 moved from start: 0.1338 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.021 129780 Z= 0.151 Angle : 0.506 4.525 175380 Z= 0.276 Chirality : 0.043 0.130 19380 Planarity : 0.004 0.044 22380 Dihedral : 5.277 27.332 17760 Min Nonbonded Distance : 2.317 Molprobity Statistics. All-atom Clashscore : 3.05 Ramachandran Plot: Outliers : 0.00 % Allowed : 6.56 % Favored : 93.44 % Rotamer: Outliers : 0.45 % Allowed : 8.39 % Favored : 91.16 % 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: -1.89 (0.06), residues: 15360 helix: 0.12 (0.08), residues: 4020 sheet: -0.30 (0.09), residues: 3780 loop : -2.63 (0.06), residues: 7560 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.008 0.001 TRP b 16 HIS 0.001 0.000 HIS S 50 PHE 0.009 0.001 PHE b 36 TYR 0.011 0.001 TYR 0 47 ARG 0.002 0.000 ARG n 201 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30720 Ramachandran restraints generated. 15360 Oldfield, 0 Emsley, 15360 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30720 Ramachandran restraints generated. 15360 Oldfield, 0 Emsley, 15360 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 444 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 62 poor density : 382 time to evaluate : 10.960 Fit side-chains REVERT: Y 203 GLU cc_start: 0.6820 (mp0) cc_final: 0.6617 (tm-30) outliers start: 62 outliers final: 61 residues processed: 394 average time/residue: 0.8795 time to fit residues: 655.2208 Evaluate side-chains 397 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 61 poor density : 336 time to evaluate : 10.801 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 118 VAL Chi-restraints excluded: chain B residue 118 VAL Chi-restraints excluded: chain C residue 118 VAL Chi-restraints excluded: chain D residue 62 ASN Chi-restraints excluded: chain D residue 118 VAL Chi-restraints excluded: chain E residue 118 VAL Chi-restraints excluded: chain F residue 118 VAL Chi-restraints excluded: chain G residue 118 VAL Chi-restraints excluded: chain H residue 118 VAL Chi-restraints excluded: chain I residue 118 VAL Chi-restraints excluded: chain J residue 118 VAL Chi-restraints excluded: chain K residue 118 VAL Chi-restraints excluded: chain L residue 118 VAL Chi-restraints excluded: chain M residue 118 VAL Chi-restraints excluded: chain N residue 118 VAL Chi-restraints excluded: chain O residue 118 VAL Chi-restraints excluded: chain P residue 118 VAL Chi-restraints excluded: chain Q residue 118 VAL Chi-restraints excluded: chain R residue 118 VAL Chi-restraints excluded: chain S residue 118 VAL Chi-restraints excluded: chain T residue 118 VAL Chi-restraints excluded: chain U residue 118 VAL Chi-restraints excluded: chain V residue 118 VAL Chi-restraints excluded: chain W residue 118 VAL Chi-restraints excluded: chain X residue 118 VAL Chi-restraints excluded: chain Y residue 118 VAL Chi-restraints excluded: chain Z residue 118 VAL Chi-restraints excluded: chain 0 residue 118 VAL Chi-restraints excluded: chain 1 residue 118 VAL Chi-restraints excluded: chain 2 residue 118 VAL Chi-restraints excluded: chain 3 residue 118 VAL Chi-restraints excluded: chain 4 residue 118 VAL Chi-restraints excluded: chain 5 residue 118 VAL Chi-restraints excluded: chain 6 residue 118 VAL Chi-restraints excluded: chain 7 residue 118 VAL Chi-restraints excluded: chain 8 residue 118 VAL Chi-restraints excluded: chain 9 residue 118 VAL Chi-restraints excluded: chain a residue 118 VAL Chi-restraints excluded: chain b residue 118 VAL Chi-restraints excluded: chain c residue 118 VAL Chi-restraints excluded: chain d residue 118 VAL Chi-restraints excluded: chain e residue 118 VAL Chi-restraints excluded: chain f residue 118 VAL Chi-restraints excluded: chain g residue 118 VAL Chi-restraints excluded: chain h residue 118 VAL Chi-restraints excluded: chain i residue 118 VAL Chi-restraints excluded: chain j residue 118 VAL Chi-restraints excluded: chain k residue 118 VAL Chi-restraints excluded: chain l residue 118 VAL Chi-restraints excluded: chain m residue 118 VAL Chi-restraints excluded: chain n residue 118 VAL Chi-restraints excluded: chain o residue 118 VAL Chi-restraints excluded: chain p residue 118 VAL Chi-restraints excluded: chain q residue 118 VAL Chi-restraints excluded: chain r residue 118 VAL Chi-restraints excluded: chain s residue 118 VAL Chi-restraints excluded: chain t residue 118 VAL Chi-restraints excluded: chain u residue 118 VAL Chi-restraints excluded: chain v residue 118 VAL Chi-restraints excluded: chain w residue 118 VAL Chi-restraints excluded: chain x residue 118 VAL Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1500 random chunks: chunk 1348 optimal weight: 4.9990 chunk 1025 optimal weight: 10.0000 chunk 708 optimal weight: 4.9990 chunk 151 optimal weight: 1.9990 chunk 651 optimal weight: 0.6980 chunk 916 optimal weight: 0.2980 chunk 1369 optimal weight: 8.9990 chunk 1449 optimal weight: 5.9990 chunk 715 optimal weight: 10.0000 chunk 1297 optimal weight: 10.0000 chunk 390 optimal weight: 7.9990 overall best weight: 2.5986 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 62 ASN D 62 ASN G 62 ASN J 62 ASN K 62 ASN M 62 ASN Q 62 ASN S 62 ASN V 62 ASN Y 62 ASN Z 62 ASN 2 62 ASN 5 62 ASN 7 62 ASN 9 62 ASN b 62 ASN f 62 ASN h 62 ASN j 62 ASN l 62 ASN p 62 ASN s 62 ASN t 62 ASN w 62 ASN Total number of N/Q/H flips: 24 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8022 moved from start: 0.1475 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.023 129780 Z= 0.184 Angle : 0.524 5.498 175380 Z= 0.283 Chirality : 0.043 0.131 19380 Planarity : 0.004 0.042 22380 Dihedral : 5.073 25.421 17760 Min Nonbonded Distance : 2.294 Molprobity Statistics. All-atom Clashscore : 3.15 Ramachandran Plot: Outliers : 0.00 % Allowed : 7.83 % Favored : 92.17 % Rotamer: Outliers : 0.96 % Allowed : 8.75 % Favored : 90.29 % 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: -1.75 (0.06), residues: 15360 helix: 0.33 (0.08), residues: 4020 sheet: -0.25 (0.09), residues: 3780 loop : -2.58 (0.06), residues: 7560 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.001 TRP 5 177 HIS 0.001 0.000 HIS l 50 PHE 0.011 0.001 PHE o 245 TYR 0.011 0.001 TYR D 47 ARG 0.001 0.000 ARG c 201 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30720 Ramachandran restraints generated. 15360 Oldfield, 0 Emsley, 15360 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30720 Ramachandran restraints generated. 15360 Oldfield, 0 Emsley, 15360 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 432 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 132 poor density : 300 time to evaluate : 11.143 Fit side-chains REVERT: Y 203 GLU cc_start: 0.6894 (mp0) cc_final: 0.6587 (tm-30) outliers start: 132 outliers final: 119 residues processed: 408 average time/residue: 0.8537 time to fit residues: 662.0413 Evaluate side-chains 418 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 119 poor density : 299 time to evaluate : 10.841 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 62 ASN Chi-restraints excluded: chain A residue 118 VAL Chi-restraints excluded: chain A residue 198 THR Chi-restraints excluded: chain B residue 118 VAL Chi-restraints excluded: chain B residue 198 THR Chi-restraints excluded: chain C residue 118 VAL Chi-restraints excluded: chain D residue 118 VAL Chi-restraints excluded: chain E residue 118 VAL Chi-restraints excluded: chain E residue 198 THR Chi-restraints excluded: chain F residue 118 VAL Chi-restraints excluded: chain F residue 198 THR Chi-restraints excluded: chain G residue 62 ASN Chi-restraints excluded: chain G residue 118 VAL Chi-restraints excluded: chain G residue 198 THR Chi-restraints excluded: chain H residue 118 VAL Chi-restraints excluded: chain H residue 198 THR Chi-restraints excluded: chain I residue 118 VAL Chi-restraints excluded: chain J residue 62 ASN Chi-restraints excluded: chain J residue 118 VAL Chi-restraints excluded: chain K residue 62 ASN Chi-restraints excluded: chain K residue 118 VAL Chi-restraints excluded: chain L residue 118 VAL Chi-restraints excluded: chain L residue 198 THR Chi-restraints excluded: chain M residue 62 ASN Chi-restraints excluded: chain M residue 118 VAL Chi-restraints excluded: chain M residue 198 THR Chi-restraints excluded: chain N residue 118 VAL Chi-restraints excluded: chain N residue 198 THR Chi-restraints excluded: chain O residue 118 VAL Chi-restraints excluded: chain P residue 118 VAL Chi-restraints excluded: chain Q residue 62 ASN Chi-restraints excluded: chain Q residue 118 VAL Chi-restraints excluded: chain R residue 118 VAL Chi-restraints excluded: chain R residue 198 THR Chi-restraints excluded: chain S residue 62 ASN Chi-restraints excluded: chain S residue 118 VAL Chi-restraints excluded: chain S residue 198 THR Chi-restraints excluded: chain T residue 118 VAL Chi-restraints excluded: chain T residue 198 THR Chi-restraints excluded: chain U residue 118 VAL Chi-restraints excluded: chain U residue 198 THR Chi-restraints excluded: chain V residue 62 ASN Chi-restraints excluded: chain V residue 118 VAL Chi-restraints excluded: chain V residue 198 THR Chi-restraints excluded: chain W residue 118 VAL Chi-restraints excluded: chain W residue 198 THR Chi-restraints excluded: chain X residue 118 VAL Chi-restraints excluded: chain Y residue 62 ASN Chi-restraints excluded: chain Y residue 118 VAL Chi-restraints excluded: chain Z residue 62 ASN Chi-restraints excluded: chain Z residue 118 VAL Chi-restraints excluded: chain Z residue 198 THR Chi-restraints excluded: chain 0 residue 118 VAL Chi-restraints excluded: chain 0 residue 198 THR Chi-restraints excluded: chain 1 residue 118 VAL Chi-restraints excluded: chain 2 residue 62 ASN Chi-restraints excluded: chain 2 residue 118 VAL Chi-restraints excluded: chain 3 residue 118 VAL Chi-restraints excluded: chain 3 residue 198 THR Chi-restraints excluded: chain 4 residue 118 VAL Chi-restraints excluded: chain 5 residue 62 ASN Chi-restraints excluded: chain 5 residue 118 VAL Chi-restraints excluded: chain 6 residue 118 VAL Chi-restraints excluded: chain 6 residue 198 THR Chi-restraints excluded: chain 7 residue 62 ASN Chi-restraints excluded: chain 7 residue 118 VAL Chi-restraints excluded: chain 7 residue 198 THR Chi-restraints excluded: chain 8 residue 118 VAL Chi-restraints excluded: chain 8 residue 198 THR Chi-restraints excluded: chain 9 residue 62 ASN Chi-restraints excluded: chain 9 residue 118 VAL Chi-restraints excluded: chain a residue 118 VAL Chi-restraints excluded: chain a residue 198 THR Chi-restraints excluded: chain b residue 62 ASN Chi-restraints excluded: chain b residue 118 VAL Chi-restraints excluded: chain b residue 198 THR Chi-restraints excluded: chain c residue 118 VAL Chi-restraints excluded: chain c residue 198 THR Chi-restraints excluded: chain d residue 118 VAL Chi-restraints excluded: chain e residue 118 VAL Chi-restraints excluded: chain f residue 62 ASN Chi-restraints excluded: chain f residue 118 VAL Chi-restraints excluded: chain g residue 118 VAL Chi-restraints excluded: chain g residue 198 THR Chi-restraints excluded: chain h residue 62 ASN Chi-restraints excluded: chain h residue 118 VAL Chi-restraints excluded: chain h residue 198 THR Chi-restraints excluded: chain i residue 118 VAL Chi-restraints excluded: chain i residue 198 THR Chi-restraints excluded: chain j residue 62 ASN Chi-restraints excluded: chain j residue 118 VAL Chi-restraints excluded: chain k residue 118 VAL Chi-restraints excluded: chain k residue 198 THR Chi-restraints excluded: chain l residue 62 ASN Chi-restraints excluded: chain l residue 118 VAL Chi-restraints excluded: chain l residue 198 THR Chi-restraints excluded: chain m residue 118 VAL Chi-restraints excluded: chain m residue 198 THR Chi-restraints excluded: chain n residue 118 VAL Chi-restraints excluded: chain o residue 118 VAL Chi-restraints excluded: chain o residue 198 THR Chi-restraints excluded: chain p residue 62 ASN Chi-restraints excluded: chain p residue 118 VAL Chi-restraints excluded: chain p residue 198 THR Chi-restraints excluded: chain q residue 118 VAL Chi-restraints excluded: chain q residue 198 THR Chi-restraints excluded: chain r residue 118 VAL Chi-restraints excluded: chain s residue 62 ASN Chi-restraints excluded: chain s residue 118 VAL Chi-restraints excluded: chain t residue 62 ASN Chi-restraints excluded: chain t residue 118 VAL Chi-restraints excluded: chain t residue 198 THR Chi-restraints excluded: chain u residue 118 VAL Chi-restraints excluded: chain u residue 198 THR Chi-restraints excluded: chain v residue 118 VAL Chi-restraints excluded: chain w residue 62 ASN Chi-restraints excluded: chain w residue 118 VAL Chi-restraints excluded: chain x residue 118 VAL Chi-restraints excluded: chain x residue 198 THR Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1500 random chunks: chunk 1207 optimal weight: 0.7980 chunk 823 optimal weight: 8.9990 chunk 21 optimal weight: 6.9990 chunk 1079 optimal weight: 5.9990 chunk 598 optimal weight: 3.9990 chunk 1237 optimal weight: 5.9990 chunk 1002 optimal weight: 8.9990 chunk 1 optimal weight: 4.9990 chunk 740 optimal weight: 5.9990 chunk 1301 optimal weight: 0.4980 chunk 365 optimal weight: 1.9990 overall best weight: 2.4586 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 62 ASN G 62 ASN J 62 ASN K 62 ASN M 62 ASN Q 62 ASN S 62 ASN V 62 ASN Y 62 ASN Z 62 ASN 2 62 ASN 5 62 ASN 7 62 ASN 9 62 ASN f 62 ASN h 62 ASN j 62 ASN l 62 ASN p 62 ASN s 62 ASN t 62 ASN w 62 ASN Total number of N/Q/H flips: 22 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8012 moved from start: 0.1551 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.020 129780 Z= 0.174 Angle : 0.501 5.015 175380 Z= 0.270 Chirality : 0.043 0.128 19380 Planarity : 0.004 0.041 22380 Dihedral : 4.955 24.587 17760 Min Nonbonded Distance : 2.303 Molprobity Statistics. All-atom Clashscore : 2.89 Ramachandran Plot: Outliers : 0.00 % Allowed : 7.05 % Favored : 92.95 % Rotamer: Outliers : 1.03 % Allowed : 10.56 % Favored : 88.41 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.64 (0.06), residues: 15360 helix: 0.50 (0.08), residues: 4020 sheet: -0.25 (0.09), residues: 3780 loop : -2.53 (0.06), residues: 7560 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.001 TRP b 16 HIS 0.000 0.000 HIS l 50 PHE 0.010 0.001 PHE a 245 TYR 0.013 0.001 TYR J 47 ARG 0.001 0.000 ARG P 70 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30720 Ramachandran restraints generated. 15360 Oldfield, 0 Emsley, 15360 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30720 Ramachandran restraints generated. 15360 Oldfield, 0 Emsley, 15360 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 476 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 142 poor density : 334 time to evaluate : 11.110 Fit side-chains REVERT: Y 203 GLU cc_start: 0.6865 (mp0) cc_final: 0.6574 (tm-30) outliers start: 142 outliers final: 118 residues processed: 442 average time/residue: 0.8762 time to fit residues: 732.7921 Evaluate side-chains 421 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 118 poor density : 303 time to evaluate : 10.903 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 62 ASN Chi-restraints excluded: chain A residue 118 VAL Chi-restraints excluded: chain A residue 198 THR Chi-restraints excluded: chain B residue 118 VAL Chi-restraints excluded: chain B residue 198 THR Chi-restraints excluded: chain C residue 118 VAL Chi-restraints excluded: chain D residue 118 VAL Chi-restraints excluded: chain E residue 118 VAL Chi-restraints excluded: chain E residue 198 THR Chi-restraints excluded: chain F residue 118 VAL Chi-restraints excluded: chain F residue 198 THR Chi-restraints excluded: chain G residue 62 ASN Chi-restraints excluded: chain G residue 118 VAL Chi-restraints excluded: chain G residue 198 THR Chi-restraints excluded: chain H residue 118 VAL Chi-restraints excluded: chain H residue 198 THR Chi-restraints excluded: chain I residue 118 VAL Chi-restraints excluded: chain J residue 62 ASN Chi-restraints excluded: chain J residue 118 VAL Chi-restraints excluded: chain K residue 62 ASN Chi-restraints excluded: chain K residue 118 VAL Chi-restraints excluded: chain L residue 118 VAL Chi-restraints excluded: chain L residue 198 THR Chi-restraints excluded: chain M residue 62 ASN Chi-restraints excluded: chain M residue 118 VAL Chi-restraints excluded: chain M residue 198 THR Chi-restraints excluded: chain N residue 118 VAL Chi-restraints excluded: chain N residue 198 THR Chi-restraints excluded: chain O residue 118 VAL Chi-restraints excluded: chain P residue 118 VAL Chi-restraints excluded: chain Q residue 62 ASN Chi-restraints excluded: chain Q residue 118 VAL Chi-restraints excluded: chain R residue 118 VAL Chi-restraints excluded: chain R residue 198 THR Chi-restraints excluded: chain S residue 62 ASN Chi-restraints excluded: chain S residue 118 VAL Chi-restraints excluded: chain S residue 198 THR Chi-restraints excluded: chain T residue 118 VAL Chi-restraints excluded: chain T residue 198 THR Chi-restraints excluded: chain U residue 118 VAL Chi-restraints excluded: chain U residue 198 THR Chi-restraints excluded: chain V residue 62 ASN Chi-restraints excluded: chain V residue 118 VAL Chi-restraints excluded: chain V residue 198 THR Chi-restraints excluded: chain W residue 118 VAL Chi-restraints excluded: chain W residue 198 THR Chi-restraints excluded: chain X residue 118 VAL Chi-restraints excluded: chain Y residue 62 ASN Chi-restraints excluded: chain Y residue 118 VAL Chi-restraints excluded: chain Z residue 62 ASN Chi-restraints excluded: chain Z residue 118 VAL Chi-restraints excluded: chain Z residue 198 THR Chi-restraints excluded: chain 0 residue 118 VAL Chi-restraints excluded: chain 0 residue 198 THR Chi-restraints excluded: chain 1 residue 118 VAL Chi-restraints excluded: chain 2 residue 62 ASN Chi-restraints excluded: chain 2 residue 118 VAL Chi-restraints excluded: chain 3 residue 118 VAL Chi-restraints excluded: chain 3 residue 198 THR Chi-restraints excluded: chain 4 residue 118 VAL Chi-restraints excluded: chain 5 residue 62 ASN Chi-restraints excluded: chain 5 residue 118 VAL Chi-restraints excluded: chain 6 residue 118 VAL Chi-restraints excluded: chain 6 residue 198 THR Chi-restraints excluded: chain 7 residue 62 ASN Chi-restraints excluded: chain 7 residue 118 VAL Chi-restraints excluded: chain 7 residue 198 THR Chi-restraints excluded: chain 8 residue 118 VAL Chi-restraints excluded: chain 8 residue 198 THR Chi-restraints excluded: chain 9 residue 62 ASN Chi-restraints excluded: chain 9 residue 118 VAL Chi-restraints excluded: chain a residue 118 VAL Chi-restraints excluded: chain a residue 198 THR Chi-restraints excluded: chain b residue 118 VAL Chi-restraints excluded: chain b residue 198 THR Chi-restraints excluded: chain c residue 118 VAL Chi-restraints excluded: chain c residue 198 THR Chi-restraints excluded: chain d residue 118 VAL Chi-restraints excluded: chain e residue 118 VAL Chi-restraints excluded: chain f residue 62 ASN Chi-restraints excluded: chain f residue 118 VAL Chi-restraints excluded: chain g residue 118 VAL Chi-restraints excluded: chain g residue 198 THR Chi-restraints excluded: chain h residue 62 ASN Chi-restraints excluded: chain h residue 118 VAL Chi-restraints excluded: chain h residue 198 THR Chi-restraints excluded: chain i residue 118 VAL Chi-restraints excluded: chain i residue 198 THR Chi-restraints excluded: chain j residue 62 ASN Chi-restraints excluded: chain j residue 118 VAL Chi-restraints excluded: chain k residue 118 VAL Chi-restraints excluded: chain k residue 198 THR Chi-restraints excluded: chain l residue 62 ASN Chi-restraints excluded: chain l residue 118 VAL Chi-restraints excluded: chain l residue 198 THR Chi-restraints excluded: chain m residue 118 VAL Chi-restraints excluded: chain m residue 198 THR Chi-restraints excluded: chain n residue 118 VAL Chi-restraints excluded: chain o residue 118 VAL Chi-restraints excluded: chain o residue 198 THR Chi-restraints excluded: chain p residue 62 ASN Chi-restraints excluded: chain p residue 118 VAL Chi-restraints excluded: chain p residue 198 THR Chi-restraints excluded: chain q residue 118 VAL Chi-restraints excluded: chain q residue 198 THR Chi-restraints excluded: chain r residue 118 VAL Chi-restraints excluded: chain s residue 62 ASN Chi-restraints excluded: chain s residue 118 VAL Chi-restraints excluded: chain t residue 62 ASN Chi-restraints excluded: chain t residue 118 VAL Chi-restraints excluded: chain t residue 198 THR Chi-restraints excluded: chain u residue 118 VAL Chi-restraints excluded: chain u residue 198 THR Chi-restraints excluded: chain v residue 118 VAL Chi-restraints excluded: chain w residue 62 ASN Chi-restraints excluded: chain w residue 118 VAL Chi-restraints excluded: chain x residue 118 VAL Chi-restraints excluded: chain x residue 198 THR Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1500 random chunks: chunk 487 optimal weight: 0.0970 chunk 1305 optimal weight: 4.9990 chunk 286 optimal weight: 0.9990 chunk 851 optimal weight: 0.6980 chunk 357 optimal weight: 2.9990 chunk 1451 optimal weight: 9.9990 chunk 1204 optimal weight: 6.9990 chunk 671 optimal weight: 9.9990 chunk 120 optimal weight: 9.9990 chunk 480 optimal weight: 6.9990 chunk 761 optimal weight: 1.9990 overall best weight: 1.3584 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: D 62 ASN J 62 ASN Q 62 ASN Y 62 ASN f 62 ASN Total number of N/Q/H flips: 5 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7950 moved from start: 0.1862 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.024 129780 Z= 0.127 Angle : 0.446 4.474 175380 Z= 0.242 Chirality : 0.041 0.125 19380 Planarity : 0.003 0.040 22380 Dihedral : 4.685 23.552 17760 Min Nonbonded Distance : 2.328 Molprobity Statistics. All-atom Clashscore : 2.24 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.38 % Favored : 94.62 % Rotamer: Outliers : 1.40 % Allowed : 11.04 % Favored : 87.55 % 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: -1.32 (0.07), residues: 15360 helix: 1.03 (0.08), residues: 4020 sheet: -0.21 (0.09), residues: 3780 loop : -2.40 (0.06), residues: 7560 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.008 0.001 TRP b 16 HIS 0.000 0.000 HIS A 50 PHE 0.008 0.001 PHE P 245 TYR 0.011 0.001 TYR f 47 ARG 0.002 0.000 ARG i 230 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30720 Ramachandran restraints generated. 15360 Oldfield, 0 Emsley, 15360 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30720 Ramachandran restraints generated. 15360 Oldfield, 0 Emsley, 15360 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 580 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 193 poor density : 387 time to evaluate : 10.982 Fit side-chains outliers start: 193 outliers final: 120 residues processed: 515 average time/residue: 0.8668 time to fit residues: 845.4410 Evaluate side-chains 491 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 120 poor density : 371 time to evaluate : 10.876 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 118 VAL Chi-restraints excluded: chain A residue 198 THR Chi-restraints excluded: chain B residue 118 VAL Chi-restraints excluded: chain B residue 198 THR Chi-restraints excluded: chain C residue 118 VAL Chi-restraints excluded: chain D residue 62 ASN Chi-restraints excluded: chain D residue 118 VAL Chi-restraints excluded: chain E residue 118 VAL Chi-restraints excluded: chain E residue 198 THR Chi-restraints excluded: chain E residue 247 VAL Chi-restraints excluded: chain F residue 118 VAL Chi-restraints excluded: chain F residue 198 THR Chi-restraints excluded: chain F residue 247 VAL Chi-restraints excluded: chain F residue 253 LEU Chi-restraints excluded: chain G residue 118 VAL Chi-restraints excluded: chain G residue 198 THR Chi-restraints excluded: chain H residue 118 VAL Chi-restraints excluded: chain H residue 198 THR Chi-restraints excluded: chain I residue 118 VAL Chi-restraints excluded: chain J residue 62 ASN Chi-restraints excluded: chain J residue 118 VAL Chi-restraints excluded: chain K residue 118 VAL Chi-restraints excluded: chain L residue 118 VAL Chi-restraints excluded: chain L residue 198 THR Chi-restraints excluded: chain L residue 247 VAL Chi-restraints excluded: chain L residue 253 LEU Chi-restraints excluded: chain M residue 118 VAL Chi-restraints excluded: chain M residue 198 THR Chi-restraints excluded: chain N residue 118 VAL Chi-restraints excluded: chain N residue 198 THR Chi-restraints excluded: chain O residue 118 VAL Chi-restraints excluded: chain P residue 118 VAL Chi-restraints excluded: chain Q residue 62 ASN Chi-restraints excluded: chain Q residue 118 VAL Chi-restraints excluded: chain R residue 118 VAL Chi-restraints excluded: chain R residue 198 THR Chi-restraints excluded: chain R residue 247 VAL Chi-restraints excluded: chain R residue 253 LEU Chi-restraints excluded: chain S residue 118 VAL Chi-restraints excluded: chain S residue 198 THR Chi-restraints excluded: chain T residue 118 VAL Chi-restraints excluded: chain T residue 198 THR Chi-restraints excluded: chain U residue 118 VAL Chi-restraints excluded: chain U residue 198 THR Chi-restraints excluded: chain U residue 247 VAL Chi-restraints excluded: chain U residue 253 LEU Chi-restraints excluded: chain V residue 118 VAL Chi-restraints excluded: chain V residue 198 THR Chi-restraints excluded: chain W residue 118 VAL Chi-restraints excluded: chain W residue 198 THR Chi-restraints excluded: chain X residue 118 VAL Chi-restraints excluded: chain Y residue 118 VAL Chi-restraints excluded: chain Z residue 118 VAL Chi-restraints excluded: chain Z residue 198 THR Chi-restraints excluded: chain 0 residue 118 VAL Chi-restraints excluded: chain 0 residue 198 THR Chi-restraints excluded: chain 1 residue 118 VAL Chi-restraints excluded: chain 2 residue 118 VAL Chi-restraints excluded: chain 3 residue 118 VAL Chi-restraints excluded: chain 3 residue 198 THR Chi-restraints excluded: chain 3 residue 247 VAL Chi-restraints excluded: chain 3 residue 253 LEU Chi-restraints excluded: chain 4 residue 118 VAL Chi-restraints excluded: chain 5 residue 118 VAL Chi-restraints excluded: chain 6 residue 118 VAL Chi-restraints excluded: chain 6 residue 198 THR Chi-restraints excluded: chain 6 residue 247 VAL Chi-restraints excluded: chain 7 residue 118 VAL Chi-restraints excluded: chain 7 residue 198 THR Chi-restraints excluded: chain 8 residue 118 VAL Chi-restraints excluded: chain 8 residue 198 THR Chi-restraints excluded: chain 9 residue 118 VAL Chi-restraints excluded: chain a residue 118 VAL Chi-restraints excluded: chain a residue 198 THR Chi-restraints excluded: chain a residue 247 VAL Chi-restraints excluded: chain a residue 253 LEU Chi-restraints excluded: chain b residue 118 VAL Chi-restraints excluded: chain b residue 198 THR Chi-restraints excluded: chain c residue 118 VAL Chi-restraints excluded: chain c residue 198 THR Chi-restraints excluded: chain d residue 118 VAL Chi-restraints excluded: chain e residue 118 VAL Chi-restraints excluded: chain f residue 62 ASN Chi-restraints excluded: chain f residue 118 VAL Chi-restraints excluded: chain g residue 118 VAL Chi-restraints excluded: chain g residue 198 THR Chi-restraints excluded: chain g residue 247 VAL Chi-restraints excluded: chain h residue 118 VAL Chi-restraints excluded: chain h residue 198 THR Chi-restraints excluded: chain i residue 118 VAL Chi-restraints excluded: chain i residue 198 THR Chi-restraints excluded: chain j residue 118 VAL Chi-restraints excluded: chain k residue 118 VAL Chi-restraints excluded: chain k residue 198 THR Chi-restraints excluded: chain k residue 247 VAL Chi-restraints excluded: chain k residue 253 LEU Chi-restraints excluded: chain l residue 118 VAL Chi-restraints excluded: chain l residue 198 THR Chi-restraints excluded: chain m residue 118 VAL Chi-restraints excluded: chain m residue 198 THR Chi-restraints excluded: chain n residue 118 VAL Chi-restraints excluded: chain o residue 118 VAL Chi-restraints excluded: chain o residue 198 THR Chi-restraints excluded: chain o residue 247 VAL Chi-restraints excluded: chain p residue 118 VAL Chi-restraints excluded: chain p residue 198 THR Chi-restraints excluded: chain q residue 118 VAL Chi-restraints excluded: chain q residue 198 THR Chi-restraints excluded: chain r residue 118 VAL Chi-restraints excluded: chain s residue 118 VAL Chi-restraints excluded: chain t residue 118 VAL Chi-restraints excluded: chain t residue 198 THR Chi-restraints excluded: chain u residue 118 VAL Chi-restraints excluded: chain u residue 198 THR Chi-restraints excluded: chain v residue 118 VAL Chi-restraints excluded: chain w residue 118 VAL Chi-restraints excluded: chain x residue 118 VAL Chi-restraints excluded: chain x residue 198 THR Chi-restraints excluded: chain x residue 247 VAL Chi-restraints excluded: chain x residue 253 LEU Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1500 random chunks: chunk 1399 optimal weight: 6.9990 chunk 163 optimal weight: 2.9990 chunk 826 optimal weight: 0.8980 chunk 1059 optimal weight: 5.9990 chunk 821 optimal weight: 10.0000 chunk 1221 optimal weight: 9.9990 chunk 810 optimal weight: 9.9990 chunk 1445 optimal weight: 0.6980 chunk 904 optimal weight: 10.0000 chunk 881 optimal weight: 7.9990 chunk 667 optimal weight: 0.8980 overall best weight: 2.2984 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: j 62 ASN s 62 ASN Total number of N/Q/H flips: 2 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7989 moved from start: 0.1815 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.036 129780 Z= 0.166 Angle : 0.485 9.169 175380 Z= 0.259 Chirality : 0.042 0.125 19380 Planarity : 0.004 0.040 22380 Dihedral : 4.666 22.154 17760 Min Nonbonded Distance : 2.305 Molprobity Statistics. All-atom Clashscore : 2.88 Ramachandran Plot: Outliers : 0.00 % Allowed : 7.27 % Favored : 92.73 % Rotamer: Outliers : 1.22 % Allowed : 11.81 % Favored : 86.97 % 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: -1.29 (0.07), residues: 15360 helix: 1.08 (0.08), residues: 4020 sheet: -0.21 (0.09), residues: 3780 loop : -2.39 (0.06), residues: 7560 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.005 0.001 TRP m 177 HIS 0.000 0.000 HIS M 50 PHE 0.010 0.001 PHE L 245 TYR 0.011 0.001 TYR J 47 ARG 0.001 0.000 ARG C 70 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30720 Ramachandran restraints generated. 15360 Oldfield, 0 Emsley, 15360 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30720 Ramachandran restraints generated. 15360 Oldfield, 0 Emsley, 15360 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 502 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 167 poor density : 335 time to evaluate : 10.910 Fit side-chains outliers start: 167 outliers final: 130 residues processed: 464 average time/residue: 0.8307 time to fit residues: 737.9113 Evaluate side-chains 454 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 130 poor density : 324 time to evaluate : 13.160 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 118 VAL Chi-restraints excluded: chain A residue 198 THR Chi-restraints excluded: chain A residue 253 LEU Chi-restraints excluded: chain B residue 118 VAL Chi-restraints excluded: chain B residue 198 THR Chi-restraints excluded: chain C residue 118 VAL Chi-restraints excluded: chain D residue 118 VAL Chi-restraints excluded: chain E residue 118 VAL Chi-restraints excluded: chain E residue 198 THR Chi-restraints excluded: chain E residue 247 VAL Chi-restraints excluded: chain F residue 118 VAL Chi-restraints excluded: chain F residue 198 THR Chi-restraints excluded: chain F residue 247 VAL Chi-restraints excluded: chain F residue 253 LEU Chi-restraints excluded: chain G residue 118 VAL Chi-restraints excluded: chain G residue 198 THR Chi-restraints excluded: chain G residue 253 LEU Chi-restraints excluded: chain H residue 118 VAL Chi-restraints excluded: chain H residue 198 THR Chi-restraints excluded: chain I residue 118 VAL Chi-restraints excluded: chain J residue 118 VAL Chi-restraints excluded: chain K residue 118 VAL Chi-restraints excluded: chain L residue 118 VAL Chi-restraints excluded: chain L residue 198 THR Chi-restraints excluded: chain L residue 247 VAL Chi-restraints excluded: chain L residue 253 LEU Chi-restraints excluded: chain M residue 118 VAL Chi-restraints excluded: chain M residue 198 THR Chi-restraints excluded: chain M residue 253 LEU Chi-restraints excluded: chain N residue 118 VAL Chi-restraints excluded: chain N residue 198 THR Chi-restraints excluded: chain O residue 118 VAL Chi-restraints excluded: chain P residue 118 VAL Chi-restraints excluded: chain Q residue 118 VAL Chi-restraints excluded: chain R residue 118 VAL Chi-restraints excluded: chain R residue 198 THR Chi-restraints excluded: chain R residue 247 VAL Chi-restraints excluded: chain R residue 253 LEU Chi-restraints excluded: chain S residue 118 VAL Chi-restraints excluded: chain S residue 198 THR Chi-restraints excluded: chain S residue 253 LEU Chi-restraints excluded: chain T residue 118 VAL Chi-restraints excluded: chain T residue 198 THR Chi-restraints excluded: chain U residue 118 VAL Chi-restraints excluded: chain U residue 198 THR Chi-restraints excluded: chain U residue 247 VAL Chi-restraints excluded: chain U residue 253 LEU Chi-restraints excluded: chain V residue 118 VAL Chi-restraints excluded: chain V residue 198 THR Chi-restraints excluded: chain V residue 253 LEU Chi-restraints excluded: chain W residue 118 VAL Chi-restraints excluded: chain W residue 198 THR Chi-restraints excluded: chain X residue 118 VAL Chi-restraints excluded: chain Y residue 118 VAL Chi-restraints excluded: chain Z residue 118 VAL Chi-restraints excluded: chain Z residue 198 THR Chi-restraints excluded: chain Z residue 253 LEU Chi-restraints excluded: chain 0 residue 118 VAL Chi-restraints excluded: chain 0 residue 198 THR Chi-restraints excluded: chain 1 residue 118 VAL Chi-restraints excluded: chain 2 residue 118 VAL Chi-restraints excluded: chain 3 residue 118 VAL Chi-restraints excluded: chain 3 residue 198 THR Chi-restraints excluded: chain 3 residue 247 VAL Chi-restraints excluded: chain 3 residue 253 LEU Chi-restraints excluded: chain 4 residue 118 VAL Chi-restraints excluded: chain 5 residue 118 VAL Chi-restraints excluded: chain 6 residue 118 VAL Chi-restraints excluded: chain 6 residue 198 THR Chi-restraints excluded: chain 6 residue 247 VAL Chi-restraints excluded: chain 7 residue 118 VAL Chi-restraints excluded: chain 7 residue 198 THR Chi-restraints excluded: chain 7 residue 253 LEU Chi-restraints excluded: chain 8 residue 118 VAL Chi-restraints excluded: chain 8 residue 198 THR Chi-restraints excluded: chain 9 residue 118 VAL Chi-restraints excluded: chain a residue 118 VAL Chi-restraints excluded: chain a residue 198 THR Chi-restraints excluded: chain a residue 247 VAL Chi-restraints excluded: chain a residue 253 LEU Chi-restraints excluded: chain b residue 118 VAL Chi-restraints excluded: chain b residue 198 THR Chi-restraints excluded: chain b residue 253 LEU Chi-restraints excluded: chain c residue 118 VAL Chi-restraints excluded: chain c residue 198 THR Chi-restraints excluded: chain d residue 118 VAL Chi-restraints excluded: chain e residue 118 VAL Chi-restraints excluded: chain f residue 118 VAL Chi-restraints excluded: chain g residue 118 VAL Chi-restraints excluded: chain g residue 198 THR Chi-restraints excluded: chain g residue 247 VAL Chi-restraints excluded: chain h residue 118 VAL Chi-restraints excluded: chain h residue 198 THR Chi-restraints excluded: chain h residue 253 LEU Chi-restraints excluded: chain i residue 118 VAL Chi-restraints excluded: chain i residue 198 THR Chi-restraints excluded: chain j residue 62 ASN Chi-restraints excluded: chain j residue 118 VAL Chi-restraints excluded: chain k residue 118 VAL Chi-restraints excluded: chain k residue 198 THR Chi-restraints excluded: chain k residue 247 VAL Chi-restraints excluded: chain k residue 253 LEU Chi-restraints excluded: chain l residue 118 VAL Chi-restraints excluded: chain l residue 198 THR Chi-restraints excluded: chain l residue 253 LEU Chi-restraints excluded: chain m residue 118 VAL Chi-restraints excluded: chain m residue 198 THR Chi-restraints excluded: chain n residue 118 VAL Chi-restraints excluded: chain o residue 118 VAL Chi-restraints excluded: chain o residue 198 THR Chi-restraints excluded: chain o residue 247 VAL Chi-restraints excluded: chain p residue 118 VAL Chi-restraints excluded: chain p residue 198 THR Chi-restraints excluded: chain p residue 253 LEU Chi-restraints excluded: chain q residue 118 VAL Chi-restraints excluded: chain q residue 198 THR Chi-restraints excluded: chain r residue 118 VAL Chi-restraints excluded: chain s residue 62 ASN Chi-restraints excluded: chain s residue 118 VAL Chi-restraints excluded: chain t residue 118 VAL Chi-restraints excluded: chain t residue 198 THR Chi-restraints excluded: chain t residue 253 LEU Chi-restraints excluded: chain u residue 118 VAL Chi-restraints excluded: chain u residue 198 THR Chi-restraints excluded: chain v residue 118 VAL Chi-restraints excluded: chain w residue 118 VAL Chi-restraints excluded: chain x residue 118 VAL Chi-restraints excluded: chain x residue 198 THR Chi-restraints excluded: chain x residue 247 VAL Chi-restraints excluded: chain x residue 253 LEU Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1500 random chunks: chunk 894 optimal weight: 5.9990 chunk 577 optimal weight: 10.0000 chunk 863 optimal weight: 0.9990 chunk 435 optimal weight: 2.9990 chunk 284 optimal weight: 9.9990 chunk 280 optimal weight: 0.0970 chunk 919 optimal weight: 10.0000 chunk 984 optimal weight: 0.9990 chunk 714 optimal weight: 5.9990 chunk 134 optimal weight: 7.9990 chunk 1136 optimal weight: 10.0000 overall best weight: 2.2186 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: K 62 ASN j 62 ASN s 62 ASN w 62 ASN Total number of N/Q/H flips: 4 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7986 moved from start: 0.1859 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.024 129780 Z= 0.161 Angle : 0.477 8.160 175380 Z= 0.256 Chirality : 0.042 0.125 19380 Planarity : 0.004 0.040 22380 Dihedral : 4.604 21.282 17760 Min Nonbonded Distance : 2.307 Molprobity Statistics. All-atom Clashscore : 2.68 Ramachandran Plot: Outliers : 0.00 % Allowed : 6.01 % Favored : 93.99 % Rotamer: Outliers : 1.13 % Allowed : 12.13 % Favored : 86.74 % 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: -1.23 (0.07), residues: 15360 helix: 1.17 (0.08), residues: 4020 sheet: -0.21 (0.09), residues: 3780 loop : -2.36 (0.06), residues: 7560 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.001 TRP Z 16 HIS 0.000 0.000 HIS M 50 PHE 0.010 0.001 PHE 1 245 TYR 0.011 0.001 TYR f 47 ARG 0.001 0.000 ARG V 230 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30720 Ramachandran restraints generated. 15360 Oldfield, 0 Emsley, 15360 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30720 Ramachandran restraints generated. 15360 Oldfield, 0 Emsley, 15360 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 506 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 155 poor density : 351 time to evaluate : 11.087 Fit side-chains outliers start: 155 outliers final: 132 residues processed: 442 average time/residue: 0.8491 time to fit residues: 719.0836 Evaluate side-chains 481 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 132 poor density : 349 time to evaluate : 9.725 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 118 VAL Chi-restraints excluded: chain A residue 198 THR Chi-restraints excluded: chain A residue 253 LEU Chi-restraints excluded: chain B residue 118 VAL Chi-restraints excluded: chain B residue 198 THR Chi-restraints excluded: chain C residue 118 VAL Chi-restraints excluded: chain D residue 118 VAL Chi-restraints excluded: chain E residue 118 VAL Chi-restraints excluded: chain E residue 198 THR Chi-restraints excluded: chain E residue 247 VAL Chi-restraints excluded: chain F residue 118 VAL Chi-restraints excluded: chain F residue 198 THR Chi-restraints excluded: chain F residue 247 VAL Chi-restraints excluded: chain F residue 253 LEU Chi-restraints excluded: chain G residue 118 VAL Chi-restraints excluded: chain G residue 198 THR Chi-restraints excluded: chain G residue 253 LEU Chi-restraints excluded: chain H residue 118 VAL Chi-restraints excluded: chain H residue 198 THR Chi-restraints excluded: chain I residue 118 VAL Chi-restraints excluded: chain J residue 118 VAL Chi-restraints excluded: chain K residue 62 ASN Chi-restraints excluded: chain K residue 118 VAL Chi-restraints excluded: chain L residue 118 VAL Chi-restraints excluded: chain L residue 198 THR Chi-restraints excluded: chain L residue 247 VAL Chi-restraints excluded: chain L residue 253 LEU Chi-restraints excluded: chain M residue 118 VAL Chi-restraints excluded: chain M residue 198 THR Chi-restraints excluded: chain M residue 253 LEU Chi-restraints excluded: chain N residue 118 VAL Chi-restraints excluded: chain N residue 198 THR Chi-restraints excluded: chain O residue 118 VAL Chi-restraints excluded: chain P residue 118 VAL Chi-restraints excluded: chain Q residue 118 VAL Chi-restraints excluded: chain R residue 118 VAL Chi-restraints excluded: chain R residue 198 THR Chi-restraints excluded: chain R residue 247 VAL Chi-restraints excluded: chain R residue 253 LEU Chi-restraints excluded: chain S residue 118 VAL Chi-restraints excluded: chain S residue 198 THR Chi-restraints excluded: chain S residue 253 LEU Chi-restraints excluded: chain T residue 118 VAL Chi-restraints excluded: chain T residue 198 THR Chi-restraints excluded: chain U residue 118 VAL Chi-restraints excluded: chain U residue 198 THR Chi-restraints excluded: chain U residue 247 VAL Chi-restraints excluded: chain U residue 253 LEU Chi-restraints excluded: chain V residue 118 VAL Chi-restraints excluded: chain V residue 198 THR Chi-restraints excluded: chain V residue 253 LEU Chi-restraints excluded: chain W residue 118 VAL Chi-restraints excluded: chain W residue 198 THR Chi-restraints excluded: chain X residue 118 VAL Chi-restraints excluded: chain Y residue 118 VAL Chi-restraints excluded: chain Z residue 118 VAL Chi-restraints excluded: chain Z residue 198 THR Chi-restraints excluded: chain Z residue 253 LEU Chi-restraints excluded: chain 0 residue 118 VAL Chi-restraints excluded: chain 0 residue 198 THR Chi-restraints excluded: chain 1 residue 118 VAL Chi-restraints excluded: chain 2 residue 118 VAL Chi-restraints excluded: chain 3 residue 118 VAL Chi-restraints excluded: chain 3 residue 198 THR Chi-restraints excluded: chain 3 residue 247 VAL Chi-restraints excluded: chain 3 residue 253 LEU Chi-restraints excluded: chain 4 residue 118 VAL Chi-restraints excluded: chain 5 residue 118 VAL Chi-restraints excluded: chain 6 residue 118 VAL Chi-restraints excluded: chain 6 residue 198 THR Chi-restraints excluded: chain 6 residue 247 VAL Chi-restraints excluded: chain 7 residue 118 VAL Chi-restraints excluded: chain 7 residue 198 THR Chi-restraints excluded: chain 7 residue 253 LEU Chi-restraints excluded: chain 8 residue 118 VAL Chi-restraints excluded: chain 8 residue 198 THR Chi-restraints excluded: chain 9 residue 118 VAL Chi-restraints excluded: chain a residue 118 VAL Chi-restraints excluded: chain a residue 198 THR Chi-restraints excluded: chain a residue 247 VAL Chi-restraints excluded: chain a residue 253 LEU Chi-restraints excluded: chain b residue 118 VAL Chi-restraints excluded: chain b residue 198 THR Chi-restraints excluded: chain b residue 253 LEU Chi-restraints excluded: chain c residue 118 VAL Chi-restraints excluded: chain c residue 198 THR Chi-restraints excluded: chain d residue 118 VAL Chi-restraints excluded: chain e residue 118 VAL Chi-restraints excluded: chain f residue 118 VAL Chi-restraints excluded: chain g residue 118 VAL Chi-restraints excluded: chain g residue 198 THR Chi-restraints excluded: chain g residue 247 VAL Chi-restraints excluded: chain h residue 118 VAL Chi-restraints excluded: chain h residue 198 THR Chi-restraints excluded: chain h residue 253 LEU Chi-restraints excluded: chain i residue 118 VAL Chi-restraints excluded: chain i residue 198 THR Chi-restraints excluded: chain j residue 62 ASN Chi-restraints excluded: chain j residue 118 VAL Chi-restraints excluded: chain k residue 118 VAL Chi-restraints excluded: chain k residue 198 THR Chi-restraints excluded: chain k residue 247 VAL Chi-restraints excluded: chain k residue 253 LEU Chi-restraints excluded: chain l residue 118 VAL Chi-restraints excluded: chain l residue 198 THR Chi-restraints excluded: chain l residue 253 LEU Chi-restraints excluded: chain m residue 118 VAL Chi-restraints excluded: chain m residue 198 THR Chi-restraints excluded: chain n residue 118 VAL Chi-restraints excluded: chain o residue 118 VAL Chi-restraints excluded: chain o residue 198 THR Chi-restraints excluded: chain o residue 247 VAL Chi-restraints excluded: chain p residue 118 VAL Chi-restraints excluded: chain p residue 198 THR Chi-restraints excluded: chain p residue 253 LEU Chi-restraints excluded: chain q residue 118 VAL Chi-restraints excluded: chain q residue 198 THR Chi-restraints excluded: chain r residue 118 VAL Chi-restraints excluded: chain s residue 62 ASN Chi-restraints excluded: chain s residue 118 VAL Chi-restraints excluded: chain t residue 118 VAL Chi-restraints excluded: chain t residue 198 THR Chi-restraints excluded: chain t residue 253 LEU Chi-restraints excluded: chain u residue 118 VAL Chi-restraints excluded: chain u residue 198 THR Chi-restraints excluded: chain v residue 118 VAL Chi-restraints excluded: chain w residue 62 ASN Chi-restraints excluded: chain w residue 118 VAL Chi-restraints excluded: chain x residue 118 VAL Chi-restraints excluded: chain x residue 198 THR Chi-restraints excluded: chain x residue 247 VAL Chi-restraints excluded: chain x residue 253 LEU Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1500 random chunks: chunk 1315 optimal weight: 5.9990 chunk 1385 optimal weight: 2.9990 chunk 1263 optimal weight: 1.9990 chunk 1347 optimal weight: 10.0000 chunk 1384 optimal weight: 9.9990 chunk 810 optimal weight: 2.9990 chunk 586 optimal weight: 10.0000 chunk 1057 optimal weight: 1.9990 chunk 413 optimal weight: 1.9990 chunk 1217 optimal weight: 5.9990 chunk 1274 optimal weight: 5.9990 overall best weight: 2.3990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: K 62 ASN b 62 ASN w 62 ASN Total number of N/Q/H flips: 3 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7994 moved from start: 0.1845 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.040 129780 Z= 0.170 Angle : 0.485 8.225 175380 Z= 0.260 Chirality : 0.042 0.126 19380 Planarity : 0.004 0.040 22380 Dihedral : 4.606 20.860 17760 Min Nonbonded Distance : 2.303 Molprobity Statistics. All-atom Clashscore : 2.80 Ramachandran Plot: Outliers : 0.00 % Allowed : 6.99 % Favored : 93.01 % Rotamer: Outliers : 1.07 % Allowed : 12.35 % Favored : 86.58 % 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: -1.23 (0.07), residues: 15360 helix: 1.18 (0.08), residues: 4020 sheet: -0.21 (0.09), residues: 3780 loop : -2.37 (0.06), residues: 7560 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.005 0.001 TRP G 16 HIS 0.000 0.000 HIS A 50 PHE 0.010 0.001 PHE 6 245 TYR 0.011 0.001 TYR J 47 ARG 0.001 0.000 ARG n 70 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30720 Ramachandran restraints generated. 15360 Oldfield, 0 Emsley, 15360 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30720 Ramachandran restraints generated. 15360 Oldfield, 0 Emsley, 15360 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 480 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 147 poor density : 333 time to evaluate : 11.008 Fit side-chains outliers start: 147 outliers final: 134 residues processed: 441 average time/residue: 0.8603 time to fit residues: 728.2200 Evaluate side-chains 458 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 134 poor density : 324 time to evaluate : 10.890 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 118 VAL Chi-restraints excluded: chain A residue 198 THR Chi-restraints excluded: chain A residue 253 LEU Chi-restraints excluded: chain B residue 118 VAL Chi-restraints excluded: chain B residue 198 THR Chi-restraints excluded: chain C residue 118 VAL Chi-restraints excluded: chain D residue 118 VAL Chi-restraints excluded: chain E residue 118 VAL Chi-restraints excluded: chain E residue 198 THR Chi-restraints excluded: chain E residue 247 VAL Chi-restraints excluded: chain E residue 253 LEU Chi-restraints excluded: chain F residue 118 VAL Chi-restraints excluded: chain F residue 198 THR Chi-restraints excluded: chain F residue 247 VAL Chi-restraints excluded: chain F residue 253 LEU Chi-restraints excluded: chain G residue 118 VAL Chi-restraints excluded: chain G residue 198 THR Chi-restraints excluded: chain G residue 253 LEU Chi-restraints excluded: chain H residue 118 VAL Chi-restraints excluded: chain H residue 198 THR Chi-restraints excluded: chain I residue 118 VAL Chi-restraints excluded: chain J residue 118 VAL Chi-restraints excluded: chain K residue 62 ASN Chi-restraints excluded: chain K residue 118 VAL Chi-restraints excluded: chain L residue 118 VAL Chi-restraints excluded: chain L residue 198 THR Chi-restraints excluded: chain L residue 247 VAL Chi-restraints excluded: chain L residue 253 LEU Chi-restraints excluded: chain M residue 118 VAL Chi-restraints excluded: chain M residue 198 THR Chi-restraints excluded: chain M residue 253 LEU Chi-restraints excluded: chain N residue 118 VAL Chi-restraints excluded: chain N residue 198 THR Chi-restraints excluded: chain O residue 118 VAL Chi-restraints excluded: chain P residue 118 VAL Chi-restraints excluded: chain Q residue 118 VAL Chi-restraints excluded: chain R residue 118 VAL Chi-restraints excluded: chain R residue 198 THR Chi-restraints excluded: chain R residue 247 VAL Chi-restraints excluded: chain R residue 253 LEU Chi-restraints excluded: chain S residue 118 VAL Chi-restraints excluded: chain S residue 198 THR Chi-restraints excluded: chain S residue 253 LEU Chi-restraints excluded: chain T residue 118 VAL Chi-restraints excluded: chain T residue 198 THR Chi-restraints excluded: chain U residue 118 VAL Chi-restraints excluded: chain U residue 198 THR Chi-restraints excluded: chain U residue 247 VAL Chi-restraints excluded: chain U residue 253 LEU Chi-restraints excluded: chain V residue 118 VAL Chi-restraints excluded: chain V residue 198 THR Chi-restraints excluded: chain V residue 253 LEU Chi-restraints excluded: chain W residue 118 VAL Chi-restraints excluded: chain W residue 198 THR Chi-restraints excluded: chain X residue 118 VAL Chi-restraints excluded: chain Y residue 118 VAL Chi-restraints excluded: chain Z residue 118 VAL Chi-restraints excluded: chain Z residue 198 THR Chi-restraints excluded: chain Z residue 253 LEU Chi-restraints excluded: chain 0 residue 118 VAL Chi-restraints excluded: chain 0 residue 198 THR Chi-restraints excluded: chain 1 residue 118 VAL Chi-restraints excluded: chain 2 residue 118 VAL Chi-restraints excluded: chain 3 residue 118 VAL Chi-restraints excluded: chain 3 residue 198 THR Chi-restraints excluded: chain 3 residue 247 VAL Chi-restraints excluded: chain 3 residue 253 LEU Chi-restraints excluded: chain 4 residue 118 VAL Chi-restraints excluded: chain 5 residue 118 VAL Chi-restraints excluded: chain 6 residue 118 VAL Chi-restraints excluded: chain 6 residue 198 THR Chi-restraints excluded: chain 6 residue 247 VAL Chi-restraints excluded: chain 6 residue 253 LEU Chi-restraints excluded: chain 7 residue 118 VAL Chi-restraints excluded: chain 7 residue 198 THR Chi-restraints excluded: chain 7 residue 253 LEU Chi-restraints excluded: chain 8 residue 118 VAL Chi-restraints excluded: chain 8 residue 198 THR Chi-restraints excluded: chain 9 residue 118 VAL Chi-restraints excluded: chain a residue 118 VAL Chi-restraints excluded: chain a residue 198 THR Chi-restraints excluded: chain a residue 247 VAL Chi-restraints excluded: chain a residue 253 LEU Chi-restraints excluded: chain b residue 118 VAL Chi-restraints excluded: chain b residue 198 THR Chi-restraints excluded: chain b residue 253 LEU Chi-restraints excluded: chain c residue 118 VAL Chi-restraints excluded: chain c residue 198 THR Chi-restraints excluded: chain d residue 118 VAL Chi-restraints excluded: chain e residue 118 VAL Chi-restraints excluded: chain f residue 118 VAL Chi-restraints excluded: chain g residue 118 VAL Chi-restraints excluded: chain g residue 198 THR Chi-restraints excluded: chain g residue 247 VAL Chi-restraints excluded: chain g residue 253 LEU Chi-restraints excluded: chain h residue 118 VAL Chi-restraints excluded: chain h residue 198 THR Chi-restraints excluded: chain h residue 253 LEU Chi-restraints excluded: chain i residue 118 VAL Chi-restraints excluded: chain i residue 198 THR Chi-restraints excluded: chain j residue 118 VAL Chi-restraints excluded: chain k residue 118 VAL Chi-restraints excluded: chain k residue 198 THR Chi-restraints excluded: chain k residue 247 VAL Chi-restraints excluded: chain k residue 253 LEU Chi-restraints excluded: chain l residue 118 VAL Chi-restraints excluded: chain l residue 198 THR Chi-restraints excluded: chain l residue 253 LEU Chi-restraints excluded: chain m residue 118 VAL Chi-restraints excluded: chain m residue 198 THR Chi-restraints excluded: chain n residue 118 VAL Chi-restraints excluded: chain o residue 118 VAL Chi-restraints excluded: chain o residue 198 THR Chi-restraints excluded: chain o residue 247 VAL Chi-restraints excluded: chain o residue 253 LEU Chi-restraints excluded: chain p residue 118 VAL Chi-restraints excluded: chain p residue 198 THR Chi-restraints excluded: chain p residue 253 LEU Chi-restraints excluded: chain q residue 118 VAL Chi-restraints excluded: chain q residue 198 THR Chi-restraints excluded: chain r residue 118 VAL Chi-restraints excluded: chain s residue 118 VAL Chi-restraints excluded: chain t residue 118 VAL Chi-restraints excluded: chain t residue 198 THR Chi-restraints excluded: chain t residue 253 LEU Chi-restraints excluded: chain u residue 118 VAL Chi-restraints excluded: chain u residue 198 THR Chi-restraints excluded: chain v residue 118 VAL Chi-restraints excluded: chain w residue 62 ASN Chi-restraints excluded: chain w residue 118 VAL Chi-restraints excluded: chain x residue 118 VAL Chi-restraints excluded: chain x residue 198 THR Chi-restraints excluded: chain x residue 247 VAL Chi-restraints excluded: chain x residue 253 LEU Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1500 random chunks: chunk 1342 optimal weight: 3.9990 chunk 884 optimal weight: 5.9990 chunk 1424 optimal weight: 4.9990 chunk 869 optimal weight: 9.9990 chunk 675 optimal weight: 10.0000 chunk 990 optimal weight: 4.9990 chunk 1494 optimal weight: 10.0000 chunk 1375 optimal weight: 10.0000 chunk 1189 optimal weight: 5.9990 chunk 123 optimal weight: 5.9990 chunk 919 optimal weight: 3.9990 overall best weight: 4.7990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: D 62 ASN J 62 ASN K 62 ASN f 62 ASN w 62 ASN Total number of N/Q/H flips: 5 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8083 moved from start: 0.1555 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.036 129780 Z= 0.296 Angle : 0.614 8.930 175380 Z= 0.326 Chirality : 0.045 0.136 19380 Planarity : 0.004 0.038 22380 Dihedral : 5.047 20.825 17760 Min Nonbonded Distance : 2.266 Molprobity Statistics. All-atom Clashscore : 3.30 Ramachandran Plot: Outliers : 0.00 % Allowed : 9.70 % Favored : 90.30 % Rotamer: Outliers : 1.11 % Allowed : 12.56 % Favored : 86.32 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.68 (0.06), residues: 15360 helix: 0.48 (0.08), residues: 4020 sheet: -0.24 (0.09), residues: 3780 loop : -2.57 (0.06), residues: 7560 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.005 0.001 TRP P 177 HIS 0.001 0.000 HIS w 50 PHE 0.015 0.002 PHE Y 245 TYR 0.014 0.001 TYR 5 47 ARG 0.002 0.000 ARG F 137 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 30720 Ramachandran restraints generated. 15360 Oldfield, 0 Emsley, 15360 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 30720 Ramachandran restraints generated. 15360 Oldfield, 0 Emsley, 15360 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 454 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 153 poor density : 301 time to evaluate : 10.979 Fit side-chains REVERT: Q 206 LEU cc_start: 0.8613 (OUTLIER) cc_final: 0.8357 (pp) REVERT: f 206 LEU cc_start: 0.8622 (OUTLIER) cc_final: 0.8360 (pp) REVERT: w 206 LEU cc_start: 0.8592 (OUTLIER) cc_final: 0.8342 (pp) outliers start: 153 outliers final: 123 residues processed: 449 average time/residue: 0.8380 time to fit residues: 714.7162 Evaluate side-chains 412 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 126 poor density : 286 time to evaluate : 10.777 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 118 VAL Chi-restraints excluded: chain A residue 198 THR Chi-restraints excluded: chain B residue 118 VAL Chi-restraints excluded: chain B residue 198 THR Chi-restraints excluded: chain C residue 118 VAL Chi-restraints excluded: chain D residue 62 ASN Chi-restraints excluded: chain D residue 118 VAL Chi-restraints excluded: chain E residue 118 VAL Chi-restraints excluded: chain E residue 198 THR Chi-restraints excluded: chain E residue 247 VAL Chi-restraints excluded: chain E residue 253 LEU Chi-restraints excluded: chain F residue 118 VAL Chi-restraints excluded: chain F residue 198 THR Chi-restraints excluded: chain F residue 247 VAL Chi-restraints excluded: chain F residue 253 LEU Chi-restraints excluded: chain G residue 118 VAL Chi-restraints excluded: chain G residue 198 THR Chi-restraints excluded: chain H residue 118 VAL Chi-restraints excluded: chain H residue 198 THR Chi-restraints excluded: chain I residue 118 VAL Chi-restraints excluded: chain J residue 62 ASN Chi-restraints excluded: chain J residue 118 VAL Chi-restraints excluded: chain K residue 118 VAL Chi-restraints excluded: chain L residue 118 VAL Chi-restraints excluded: chain L residue 198 THR Chi-restraints excluded: chain L residue 247 VAL Chi-restraints excluded: chain L residue 253 LEU Chi-restraints excluded: chain M residue 118 VAL Chi-restraints excluded: chain M residue 198 THR Chi-restraints excluded: chain N residue 118 VAL Chi-restraints excluded: chain N residue 198 THR Chi-restraints excluded: chain O residue 118 VAL Chi-restraints excluded: chain P residue 118 VAL Chi-restraints excluded: chain Q residue 118 VAL Chi-restraints excluded: chain Q residue 206 LEU Chi-restraints excluded: chain R residue 118 VAL Chi-restraints excluded: chain R residue 198 THR Chi-restraints excluded: chain R residue 247 VAL Chi-restraints excluded: chain R residue 253 LEU Chi-restraints excluded: chain S residue 118 VAL Chi-restraints excluded: chain S residue 198 THR Chi-restraints excluded: chain T residue 118 VAL Chi-restraints excluded: chain T residue 198 THR Chi-restraints excluded: chain U residue 118 VAL Chi-restraints excluded: chain U residue 198 THR Chi-restraints excluded: chain U residue 247 VAL Chi-restraints excluded: chain U residue 253 LEU Chi-restraints excluded: chain V residue 118 VAL Chi-restraints excluded: chain V residue 198 THR Chi-restraints excluded: chain W residue 118 VAL Chi-restraints excluded: chain W residue 198 THR Chi-restraints excluded: chain X residue 118 VAL Chi-restraints excluded: chain Y residue 118 VAL Chi-restraints excluded: chain Z residue 118 VAL Chi-restraints excluded: chain Z residue 198 THR Chi-restraints excluded: chain 0 residue 118 VAL Chi-restraints excluded: chain 0 residue 198 THR Chi-restraints excluded: chain 1 residue 118 VAL Chi-restraints excluded: chain 2 residue 118 VAL Chi-restraints excluded: chain 3 residue 118 VAL Chi-restraints excluded: chain 3 residue 198 THR Chi-restraints excluded: chain 3 residue 247 VAL Chi-restraints excluded: chain 3 residue 253 LEU Chi-restraints excluded: chain 4 residue 118 VAL Chi-restraints excluded: chain 5 residue 118 VAL Chi-restraints excluded: chain 6 residue 118 VAL Chi-restraints excluded: chain 6 residue 198 THR Chi-restraints excluded: chain 6 residue 247 VAL Chi-restraints excluded: chain 6 residue 253 LEU Chi-restraints excluded: chain 7 residue 118 VAL Chi-restraints excluded: chain 7 residue 198 THR Chi-restraints excluded: chain 8 residue 118 VAL Chi-restraints excluded: chain 8 residue 198 THR Chi-restraints excluded: chain 9 residue 118 VAL Chi-restraints excluded: chain a residue 118 VAL Chi-restraints excluded: chain a residue 198 THR Chi-restraints excluded: chain a residue 247 VAL Chi-restraints excluded: chain a residue 253 LEU Chi-restraints excluded: chain b residue 118 VAL Chi-restraints excluded: chain b residue 198 THR Chi-restraints excluded: chain c residue 118 VAL Chi-restraints excluded: chain c residue 198 THR Chi-restraints excluded: chain d residue 118 VAL Chi-restraints excluded: chain e residue 118 VAL Chi-restraints excluded: chain f residue 62 ASN Chi-restraints excluded: chain f residue 118 VAL Chi-restraints excluded: chain f residue 206 LEU Chi-restraints excluded: chain g residue 118 VAL Chi-restraints excluded: chain g residue 198 THR Chi-restraints excluded: chain g residue 247 VAL Chi-restraints excluded: chain g residue 253 LEU Chi-restraints excluded: chain h residue 118 VAL Chi-restraints excluded: chain h residue 198 THR Chi-restraints excluded: chain i residue 118 VAL Chi-restraints excluded: chain i residue 198 THR Chi-restraints excluded: chain j residue 118 VAL Chi-restraints excluded: chain k residue 118 VAL Chi-restraints excluded: chain k residue 198 THR Chi-restraints excluded: chain k residue 247 VAL Chi-restraints excluded: chain k residue 253 LEU Chi-restraints excluded: chain l residue 118 VAL Chi-restraints excluded: chain l residue 198 THR Chi-restraints excluded: chain m residue 118 VAL Chi-restraints excluded: chain m residue 198 THR Chi-restraints excluded: chain n residue 118 VAL Chi-restraints excluded: chain o residue 118 VAL Chi-restraints excluded: chain o residue 198 THR Chi-restraints excluded: chain o residue 247 VAL Chi-restraints excluded: chain o residue 253 LEU Chi-restraints excluded: chain p residue 118 VAL Chi-restraints excluded: chain p residue 198 THR Chi-restraints excluded: chain q residue 118 VAL Chi-restraints excluded: chain q residue 198 THR Chi-restraints excluded: chain r residue 118 VAL Chi-restraints excluded: chain s residue 118 VAL Chi-restraints excluded: chain t residue 118 VAL Chi-restraints excluded: chain t residue 198 THR Chi-restraints excluded: chain u residue 118 VAL Chi-restraints excluded: chain u residue 198 THR Chi-restraints excluded: chain v residue 118 VAL Chi-restraints excluded: chain w residue 118 VAL Chi-restraints excluded: chain w residue 206 LEU Chi-restraints excluded: chain x residue 118 VAL Chi-restraints excluded: chain x residue 198 THR Chi-restraints excluded: chain x residue 247 VAL Chi-restraints excluded: chain x residue 253 LEU Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1500 random chunks: chunk 729 optimal weight: 10.0000 chunk 945 optimal weight: 7.9990 chunk 1267 optimal weight: 0.9980 chunk 364 optimal weight: 0.0570 chunk 1097 optimal weight: 6.9990 chunk 175 optimal weight: 10.0000 chunk 330 optimal weight: 6.9990 chunk 1191 optimal weight: 6.9990 chunk 498 optimal weight: 8.9990 chunk 1223 optimal weight: 8.9990 chunk 150 optimal weight: 9.9990 overall best weight: 4.4104 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: D 62 ASN J 62 ASN K 62 ASN f 62 ASN w 62 ASN Total number of N/Q/H flips: 5 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3565 r_free = 0.3565 target = 0.113995 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 28)----------------| | r_work = 0.3408 r_free = 0.3408 target = 0.103350 restraints weight = 258544.751| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 35)----------------| | r_work = 0.3434 r_free = 0.3434 target = 0.105080 restraints weight = 182546.855| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 39)----------------| | r_work = 0.3453 r_free = 0.3453 target = 0.106370 restraints weight = 138999.692| |-----------------------------------------------------------------------------| r_work (final): 0.3454 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8094 moved from start: 0.1556 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.038 129780 Z= 0.276 Angle : 0.598 8.615 175380 Z= 0.318 Chirality : 0.045 0.133 19380 Planarity : 0.004 0.039 22380 Dihedral : 5.098 21.412 17760 Min Nonbonded Distance : 2.277 Molprobity Statistics. All-atom Clashscore : 3.32 Ramachandran Plot: Outliers : 0.00 % Allowed : 8.37 % Favored : 91.63 % Rotamer: Outliers : 1.08 % Allowed : 12.82 % Favored : 86.09 % 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: -1.77 (0.06), residues: 15360 helix: 0.34 (0.08), residues: 4020 sheet: -0.26 (0.09), residues: 3780 loop : -2.62 (0.06), residues: 7560 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.001 TRP 5 177 HIS 0.001 0.000 HIS A 50 PHE 0.014 0.002 PHE Q 245 TYR 0.016 0.001 TYR w 47 ARG 0.002 0.000 ARG 4 70 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 15415.02 seconds wall clock time: 276 minutes 21.40 seconds (16581.40 seconds total)