Starting phenix.real_space_refine on Fri Mar 15 14:37:54 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7lim_23383/03_2024/7lim_23383_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7lim_23383/03_2024/7lim_23383.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=2.75 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7lim_23383/03_2024/7lim_23383.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7lim_23383/03_2024/7lim_23383.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7lim_23383/03_2024/7lim_23383_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7lim_23383/03_2024/7lim_23383_updated.pdb" } resolution = 2.75 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= 0.001 sd= 0.096 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 81720 2.51 5 N 21240 2.21 5 O 24240 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 18": "OE1" <-> "OE2" Residue "A PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 56": "OE1" <-> "OE2" Residue "A GLU 77": "OE1" <-> "OE2" Residue "A PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 105": "OE1" <-> "OE2" Residue "A PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 124": "OE1" <-> "OE2" Residue "A GLU 136": "OE1" <-> "OE2" Residue "A GLU 140": "OE1" <-> "OE2" Residue "A GLU 150": "OE1" <-> "OE2" Residue "A PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 165": "OE1" <-> "OE2" Residue "A PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 184": "OE1" <-> "OE2" Residue "A ARG 186": "NH1" <-> "NH2" Residue "A GLU 188": "OE1" <-> "OE2" Residue "A ASP 204": "OD1" <-> "OD2" Residue "A PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 222": "OD1" <-> "OD2" Residue "A PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 18": "OE1" <-> "OE2" Residue "B PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 56": "OE1" <-> "OE2" Residue "B GLU 77": "OE1" <-> "OE2" Residue "B PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 105": "OE1" <-> "OE2" Residue "B PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 124": "OE1" <-> "OE2" Residue "B GLU 136": "OE1" <-> "OE2" Residue "B GLU 140": "OE1" <-> "OE2" Residue "B GLU 150": "OE1" <-> "OE2" Residue "B PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 165": "OE1" <-> "OE2" Residue "B PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 184": "OE1" <-> "OE2" Residue "B ARG 186": "NH1" <-> "NH2" Residue "B GLU 188": "OE1" <-> "OE2" Residue "B ASP 204": "OD1" <-> "OD2" Residue "B PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ASP 222": "OD1" <-> "OD2" Residue "B PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 18": "OE1" <-> "OE2" Residue "C PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 56": "OE1" <-> "OE2" Residue "C GLU 77": "OE1" <-> "OE2" Residue "C PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 105": "OE1" <-> "OE2" Residue "C PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 124": "OE1" <-> "OE2" Residue "C GLU 136": "OE1" <-> "OE2" Residue "C GLU 140": "OE1" <-> "OE2" Residue "C GLU 150": "OE1" <-> "OE2" Residue "C PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 165": "OE1" <-> "OE2" Residue "C PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 184": "OE1" <-> "OE2" Residue "C ARG 186": "NH1" <-> "NH2" Residue "C GLU 188": "OE1" <-> "OE2" Residue "C ASP 204": "OD1" <-> "OD2" Residue "C PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 222": "OD1" <-> "OD2" Residue "C PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 18": "OE1" <-> "OE2" Residue "D PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 56": "OE1" <-> "OE2" Residue "D GLU 77": "OE1" <-> "OE2" Residue "D PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 105": "OE1" <-> "OE2" Residue "D PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 124": "OE1" <-> "OE2" Residue "D GLU 136": "OE1" <-> "OE2" Residue "D GLU 140": "OE1" <-> "OE2" Residue "D GLU 150": "OE1" <-> "OE2" Residue "D PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 165": "OE1" <-> "OE2" Residue "D PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 184": "OE1" <-> "OE2" Residue "D ARG 186": "NH1" <-> "NH2" Residue "D GLU 188": "OE1" <-> "OE2" Residue "D ASP 204": "OD1" <-> "OD2" Residue "D PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 222": "OD1" <-> "OD2" Residue "D PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 18": "OE1" <-> "OE2" Residue "E PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 56": "OE1" <-> "OE2" Residue "E GLU 77": "OE1" <-> "OE2" Residue "E PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 105": "OE1" <-> "OE2" Residue "E PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 124": "OE1" <-> "OE2" Residue "E GLU 136": "OE1" <-> "OE2" Residue "E GLU 140": "OE1" <-> "OE2" Residue "E GLU 150": "OE1" <-> "OE2" Residue "E PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 165": "OE1" <-> "OE2" Residue "E PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 184": "OE1" <-> "OE2" Residue "E ARG 186": "NH1" <-> "NH2" Residue "E GLU 188": "OE1" <-> "OE2" Residue "E ASP 204": "OD1" <-> "OD2" Residue "E PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ASP 222": "OD1" <-> "OD2" Residue "E PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F GLU 18": "OE1" <-> "OE2" Residue "F PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F GLU 56": "OE1" <-> "OE2" Residue "F GLU 77": "OE1" <-> "OE2" Residue "F PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F GLU 105": "OE1" <-> "OE2" Residue "F PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F GLU 124": "OE1" <-> "OE2" Residue "F GLU 136": "OE1" <-> "OE2" Residue "F GLU 140": "OE1" <-> "OE2" Residue "F GLU 150": "OE1" <-> "OE2" Residue "F PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F GLU 165": "OE1" <-> "OE2" Residue "F PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F GLU 184": "OE1" <-> "OE2" Residue "F ARG 186": "NH1" <-> "NH2" Residue "F GLU 188": "OE1" <-> "OE2" Residue "F ASP 204": "OD1" <-> "OD2" Residue "F PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ASP 222": "OD1" <-> "OD2" Residue "F PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 18": "OE1" <-> "OE2" Residue "G PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 56": "OE1" <-> "OE2" Residue "G GLU 77": "OE1" <-> "OE2" Residue "G PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 105": "OE1" <-> "OE2" Residue "G PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 124": "OE1" <-> "OE2" Residue "G GLU 136": "OE1" <-> "OE2" Residue "G GLU 140": "OE1" <-> "OE2" Residue "G GLU 150": "OE1" <-> "OE2" Residue "G PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 165": "OE1" <-> "OE2" Residue "G PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 184": "OE1" <-> "OE2" Residue "G ARG 186": "NH1" <-> "NH2" Residue "G GLU 188": "OE1" <-> "OE2" Residue "G ASP 204": "OD1" <-> "OD2" Residue "G PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 222": "OD1" <-> "OD2" Residue "G PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H GLU 18": "OE1" <-> "OE2" Residue "H PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H GLU 56": "OE1" <-> "OE2" Residue "H GLU 77": "OE1" <-> "OE2" Residue "H PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H GLU 105": "OE1" <-> "OE2" Residue "H PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H GLU 124": "OE1" <-> "OE2" Residue "H GLU 136": "OE1" <-> "OE2" Residue "H GLU 140": "OE1" <-> "OE2" Residue "H GLU 150": "OE1" <-> "OE2" Residue "H PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H GLU 165": "OE1" <-> "OE2" Residue "H PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H GLU 184": "OE1" <-> "OE2" Residue "H ARG 186": "NH1" <-> "NH2" Residue "H GLU 188": "OE1" <-> "OE2" Residue "H ASP 204": "OD1" <-> "OD2" Residue "H PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H ASP 222": "OD1" <-> "OD2" Residue "H PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I GLU 18": "OE1" <-> "OE2" Residue "I PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I GLU 56": "OE1" <-> "OE2" Residue "I GLU 77": "OE1" <-> "OE2" Residue "I PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I GLU 105": "OE1" <-> "OE2" Residue "I PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I GLU 124": "OE1" <-> "OE2" Residue "I GLU 136": "OE1" <-> "OE2" Residue "I GLU 140": "OE1" <-> "OE2" Residue "I GLU 150": "OE1" <-> "OE2" Residue "I PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I GLU 165": "OE1" <-> "OE2" Residue "I PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I GLU 184": "OE1" <-> "OE2" Residue "I ARG 186": "NH1" <-> "NH2" Residue "I GLU 188": "OE1" <-> "OE2" Residue "I ASP 204": "OD1" <-> "OD2" Residue "I PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ASP 222": "OD1" <-> "OD2" Residue "I PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J GLU 18": "OE1" <-> "OE2" Residue "J PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J GLU 56": "OE1" <-> "OE2" Residue "J GLU 77": "OE1" <-> "OE2" Residue "J PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J GLU 105": "OE1" <-> "OE2" Residue "J PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J GLU 124": "OE1" <-> "OE2" Residue "J GLU 136": "OE1" <-> "OE2" Residue "J GLU 140": "OE1" <-> "OE2" Residue "J GLU 150": "OE1" <-> "OE2" Residue "J PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J GLU 165": "OE1" <-> "OE2" Residue "J PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J GLU 184": "OE1" <-> "OE2" Residue "J ARG 186": "NH1" <-> "NH2" Residue "J GLU 188": "OE1" <-> "OE2" Residue "J ASP 204": "OD1" <-> "OD2" Residue "J PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 222": "OD1" <-> "OD2" Residue "J PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K GLU 18": "OE1" <-> "OE2" Residue "K PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K GLU 56": "OE1" <-> "OE2" Residue "K GLU 77": "OE1" <-> "OE2" Residue "K PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K GLU 105": "OE1" <-> "OE2" Residue "K PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K GLU 124": "OE1" <-> "OE2" Residue "K GLU 136": "OE1" <-> "OE2" Residue "K GLU 140": "OE1" <-> "OE2" Residue "K GLU 150": "OE1" <-> "OE2" Residue "K PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K GLU 165": "OE1" <-> "OE2" Residue "K PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K GLU 184": "OE1" <-> "OE2" Residue "K ARG 186": "NH1" <-> "NH2" Residue "K GLU 188": "OE1" <-> "OE2" Residue "K ASP 204": "OD1" <-> "OD2" Residue "K PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ASP 222": "OD1" <-> "OD2" Residue "K PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L GLU 18": "OE1" <-> "OE2" Residue "L PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L GLU 56": "OE1" <-> "OE2" Residue "L GLU 77": "OE1" <-> "OE2" Residue "L PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L GLU 105": "OE1" <-> "OE2" Residue "L PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L GLU 124": "OE1" <-> "OE2" Residue "L GLU 136": "OE1" <-> "OE2" Residue "L GLU 140": "OE1" <-> "OE2" Residue "L GLU 150": "OE1" <-> "OE2" Residue "L PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L GLU 165": "OE1" <-> "OE2" Residue "L PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L GLU 184": "OE1" <-> "OE2" Residue "L ARG 186": "NH1" <-> "NH2" Residue "L GLU 188": "OE1" <-> "OE2" Residue "L ASP 204": "OD1" <-> "OD2" Residue "L PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ASP 222": "OD1" <-> "OD2" Residue "L PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M GLU 18": "OE1" <-> "OE2" Residue "M PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M GLU 56": "OE1" <-> "OE2" Residue "M GLU 77": "OE1" <-> "OE2" Residue "M PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M GLU 105": "OE1" <-> "OE2" Residue "M PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M GLU 124": "OE1" <-> "OE2" Residue "M GLU 136": "OE1" <-> "OE2" Residue "M GLU 140": "OE1" <-> "OE2" Residue "M GLU 150": "OE1" <-> "OE2" Residue "M PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M GLU 165": "OE1" <-> "OE2" Residue "M PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M GLU 184": "OE1" <-> "OE2" Residue "M ARG 186": "NH1" <-> "NH2" Residue "M GLU 188": "OE1" <-> "OE2" Residue "M ASP 204": "OD1" <-> "OD2" Residue "M PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ASP 222": "OD1" <-> "OD2" Residue "M PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N GLU 18": "OE1" <-> "OE2" Residue "N PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N GLU 56": "OE1" <-> "OE2" Residue "N GLU 77": "OE1" <-> "OE2" Residue "N PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N GLU 105": "OE1" <-> "OE2" Residue "N PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N GLU 124": "OE1" <-> "OE2" Residue "N GLU 136": "OE1" <-> "OE2" Residue "N GLU 140": "OE1" <-> "OE2" Residue "N GLU 150": "OE1" <-> "OE2" Residue "N PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N GLU 165": "OE1" <-> "OE2" Residue "N PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N GLU 184": "OE1" <-> "OE2" Residue "N ARG 186": "NH1" <-> "NH2" Residue "N GLU 188": "OE1" <-> "OE2" Residue "N ASP 204": "OD1" <-> "OD2" Residue "N PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ASP 222": "OD1" <-> "OD2" Residue "N PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O GLU 18": "OE1" <-> "OE2" Residue "O PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O GLU 56": "OE1" <-> "OE2" Residue "O GLU 77": "OE1" <-> "OE2" Residue "O PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O GLU 105": "OE1" <-> "OE2" Residue "O PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O GLU 124": "OE1" <-> "OE2" Residue "O GLU 136": "OE1" <-> "OE2" Residue "O GLU 140": "OE1" <-> "OE2" Residue "O GLU 150": "OE1" <-> "OE2" Residue "O PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O GLU 165": "OE1" <-> "OE2" Residue "O PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O GLU 184": "OE1" <-> "OE2" Residue "O ARG 186": "NH1" <-> "NH2" Residue "O GLU 188": "OE1" <-> "OE2" Residue "O ASP 204": "OD1" <-> "OD2" Residue "O PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ASP 222": "OD1" <-> "OD2" Residue "O PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P GLU 18": "OE1" <-> "OE2" Residue "P PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P GLU 56": "OE1" <-> "OE2" Residue "P GLU 77": "OE1" <-> "OE2" Residue "P PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P GLU 105": "OE1" <-> "OE2" Residue "P PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P GLU 124": "OE1" <-> "OE2" Residue "P GLU 136": "OE1" <-> "OE2" Residue "P GLU 140": "OE1" <-> "OE2" Residue "P GLU 150": "OE1" <-> "OE2" Residue "P PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P GLU 165": "OE1" <-> "OE2" Residue "P PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P GLU 184": "OE1" <-> "OE2" Residue "P ARG 186": "NH1" <-> "NH2" Residue "P GLU 188": "OE1" <-> "OE2" Residue "P ASP 204": "OD1" <-> "OD2" Residue "P PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ASP 222": "OD1" <-> "OD2" Residue "P PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q GLU 18": "OE1" <-> "OE2" Residue "Q PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q GLU 56": "OE1" <-> "OE2" Residue "Q GLU 77": "OE1" <-> "OE2" Residue "Q PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q GLU 105": "OE1" <-> "OE2" Residue "Q PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q GLU 124": "OE1" <-> "OE2" Residue "Q GLU 136": "OE1" <-> "OE2" Residue "Q GLU 140": "OE1" <-> "OE2" Residue "Q GLU 150": "OE1" <-> "OE2" Residue "Q PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q GLU 165": "OE1" <-> "OE2" Residue "Q PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q GLU 184": "OE1" <-> "OE2" Residue "Q ARG 186": "NH1" <-> "NH2" Residue "Q GLU 188": "OE1" <-> "OE2" Residue "Q ASP 204": "OD1" <-> "OD2" Residue "Q PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q ASP 222": "OD1" <-> "OD2" Residue "Q PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R GLU 18": "OE1" <-> "OE2" Residue "R PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R GLU 56": "OE1" <-> "OE2" Residue "R GLU 77": "OE1" <-> "OE2" Residue "R PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R GLU 105": "OE1" <-> "OE2" Residue "R PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R GLU 124": "OE1" <-> "OE2" Residue "R GLU 136": "OE1" <-> "OE2" Residue "R GLU 140": "OE1" <-> "OE2" Residue "R GLU 150": "OE1" <-> "OE2" Residue "R PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R GLU 165": "OE1" <-> "OE2" Residue "R PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R GLU 184": "OE1" <-> "OE2" Residue "R ARG 186": "NH1" <-> "NH2" Residue "R GLU 188": "OE1" <-> "OE2" Residue "R ASP 204": "OD1" <-> "OD2" Residue "R PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R ASP 222": "OD1" <-> "OD2" Residue "R PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S GLU 18": "OE1" <-> "OE2" Residue "S PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S GLU 56": "OE1" <-> "OE2" Residue "S GLU 77": "OE1" <-> "OE2" Residue "S PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S GLU 105": "OE1" <-> "OE2" Residue "S PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S GLU 124": "OE1" <-> "OE2" Residue "S GLU 136": "OE1" <-> "OE2" Residue "S GLU 140": "OE1" <-> "OE2" Residue "S GLU 150": "OE1" <-> "OE2" Residue "S PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S GLU 165": "OE1" <-> "OE2" Residue "S PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S GLU 184": "OE1" <-> "OE2" Residue "S ARG 186": "NH1" <-> "NH2" Residue "S GLU 188": "OE1" <-> "OE2" Residue "S ASP 204": "OD1" <-> "OD2" Residue "S PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S ASP 222": "OD1" <-> "OD2" Residue "S PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T GLU 18": "OE1" <-> "OE2" Residue "T PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T GLU 56": "OE1" <-> "OE2" Residue "T GLU 77": "OE1" <-> "OE2" Residue "T PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T GLU 105": "OE1" <-> "OE2" Residue "T PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T GLU 124": "OE1" <-> "OE2" Residue "T GLU 136": "OE1" <-> "OE2" Residue "T GLU 140": "OE1" <-> "OE2" Residue "T GLU 150": "OE1" <-> "OE2" Residue "T PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T GLU 165": "OE1" <-> "OE2" Residue "T PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T GLU 184": "OE1" <-> "OE2" Residue "T ARG 186": "NH1" <-> "NH2" Residue "T GLU 188": "OE1" <-> "OE2" Residue "T ASP 204": "OD1" <-> "OD2" Residue "T PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T ASP 222": "OD1" <-> "OD2" Residue "T PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U GLU 18": "OE1" <-> "OE2" Residue "U PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U GLU 56": "OE1" <-> "OE2" Residue "U GLU 77": "OE1" <-> "OE2" Residue "U PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U GLU 105": "OE1" <-> "OE2" Residue "U PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U GLU 124": "OE1" <-> "OE2" Residue "U GLU 136": "OE1" <-> "OE2" Residue "U GLU 140": "OE1" <-> "OE2" Residue "U GLU 150": "OE1" <-> "OE2" Residue "U PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U GLU 165": "OE1" <-> "OE2" Residue "U PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U GLU 184": "OE1" <-> "OE2" Residue "U ARG 186": "NH1" <-> "NH2" Residue "U GLU 188": "OE1" <-> "OE2" Residue "U ASP 204": "OD1" <-> "OD2" Residue "U PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U ASP 222": "OD1" <-> "OD2" Residue "U PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V GLU 18": "OE1" <-> "OE2" Residue "V PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V GLU 56": "OE1" <-> "OE2" Residue "V GLU 77": "OE1" <-> "OE2" Residue "V PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V GLU 105": "OE1" <-> "OE2" Residue "V PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V GLU 124": "OE1" <-> "OE2" Residue "V GLU 136": "OE1" <-> "OE2" Residue "V GLU 140": "OE1" <-> "OE2" Residue "V GLU 150": "OE1" <-> "OE2" Residue "V PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V GLU 165": "OE1" <-> "OE2" Residue "V PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V GLU 184": "OE1" <-> "OE2" Residue "V ARG 186": "NH1" <-> "NH2" Residue "V GLU 188": "OE1" <-> "OE2" Residue "V ASP 204": "OD1" <-> "OD2" Residue "V PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V ASP 222": "OD1" <-> "OD2" Residue "V PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W GLU 18": "OE1" <-> "OE2" Residue "W PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W GLU 56": "OE1" <-> "OE2" Residue "W GLU 77": "OE1" <-> "OE2" Residue "W PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W GLU 105": "OE1" <-> "OE2" Residue "W PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W GLU 124": "OE1" <-> "OE2" Residue "W GLU 136": "OE1" <-> "OE2" Residue "W GLU 140": "OE1" <-> "OE2" Residue "W GLU 150": "OE1" <-> "OE2" Residue "W PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W GLU 165": "OE1" <-> "OE2" Residue "W PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W GLU 184": "OE1" <-> "OE2" Residue "W ARG 186": "NH1" <-> "NH2" Residue "W GLU 188": "OE1" <-> "OE2" Residue "W ASP 204": "OD1" <-> "OD2" Residue "W PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W ASP 222": "OD1" <-> "OD2" Residue "W PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X GLU 18": "OE1" <-> "OE2" Residue "X PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X GLU 56": "OE1" <-> "OE2" Residue "X GLU 77": "OE1" <-> "OE2" Residue "X PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X GLU 105": "OE1" <-> "OE2" Residue "X PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X GLU 124": "OE1" <-> "OE2" Residue "X GLU 136": "OE1" <-> "OE2" Residue "X GLU 140": "OE1" <-> "OE2" Residue "X GLU 150": "OE1" <-> "OE2" Residue "X PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X GLU 165": "OE1" <-> "OE2" Residue "X PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X GLU 184": "OE1" <-> "OE2" Residue "X ARG 186": "NH1" <-> "NH2" Residue "X GLU 188": "OE1" <-> "OE2" Residue "X ASP 204": "OD1" <-> "OD2" Residue "X PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X ASP 222": "OD1" <-> "OD2" Residue "X PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y GLU 18": "OE1" <-> "OE2" Residue "Y PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y GLU 56": "OE1" <-> "OE2" Residue "Y GLU 77": "OE1" <-> "OE2" Residue "Y PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y GLU 105": "OE1" <-> "OE2" Residue "Y PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y GLU 124": "OE1" <-> "OE2" Residue "Y GLU 136": "OE1" <-> "OE2" Residue "Y GLU 140": "OE1" <-> "OE2" Residue "Y GLU 150": "OE1" <-> "OE2" Residue "Y PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y GLU 165": "OE1" <-> "OE2" Residue "Y PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y GLU 184": "OE1" <-> "OE2" Residue "Y ARG 186": "NH1" <-> "NH2" Residue "Y GLU 188": "OE1" <-> "OE2" Residue "Y ASP 204": "OD1" <-> "OD2" Residue "Y PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y ASP 222": "OD1" <-> "OD2" Residue "Y PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z GLU 18": "OE1" <-> "OE2" Residue "Z PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z GLU 56": "OE1" <-> "OE2" Residue "Z GLU 77": "OE1" <-> "OE2" Residue "Z PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z GLU 105": "OE1" <-> "OE2" Residue "Z PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z GLU 124": "OE1" <-> "OE2" Residue "Z GLU 136": "OE1" <-> "OE2" Residue "Z GLU 140": "OE1" <-> "OE2" Residue "Z GLU 150": "OE1" <-> "OE2" Residue "Z PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z GLU 165": "OE1" <-> "OE2" Residue "Z PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z GLU 184": "OE1" <-> "OE2" Residue "Z ARG 186": "NH1" <-> "NH2" Residue "Z GLU 188": "OE1" <-> "OE2" Residue "Z ASP 204": "OD1" <-> "OD2" Residue "Z PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z ASP 222": "OD1" <-> "OD2" Residue "Z PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 GLU 18": "OE1" <-> "OE2" Residue "0 PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 GLU 56": "OE1" <-> "OE2" Residue "0 GLU 77": "OE1" <-> "OE2" Residue "0 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 GLU 105": "OE1" <-> "OE2" Residue "0 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 GLU 124": "OE1" <-> "OE2" Residue "0 GLU 136": "OE1" <-> "OE2" Residue "0 GLU 140": "OE1" <-> "OE2" Residue "0 GLU 150": "OE1" <-> "OE2" Residue "0 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 GLU 165": "OE1" <-> "OE2" Residue "0 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 GLU 184": "OE1" <-> "OE2" Residue "0 ARG 186": "NH1" <-> "NH2" Residue "0 GLU 188": "OE1" <-> "OE2" Residue "0 ASP 204": "OD1" <-> "OD2" Residue "0 PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 ASP 222": "OD1" <-> "OD2" Residue "0 PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 GLU 18": "OE1" <-> "OE2" Residue "1 PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 GLU 56": "OE1" <-> "OE2" Residue "1 GLU 77": "OE1" <-> "OE2" Residue "1 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 GLU 105": "OE1" <-> "OE2" Residue "1 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 GLU 124": "OE1" <-> "OE2" Residue "1 GLU 136": "OE1" <-> "OE2" Residue "1 GLU 140": "OE1" <-> "OE2" Residue "1 GLU 150": "OE1" <-> "OE2" Residue "1 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 GLU 165": "OE1" <-> "OE2" Residue "1 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 GLU 184": "OE1" <-> "OE2" Residue "1 ARG 186": "NH1" <-> "NH2" Residue "1 GLU 188": "OE1" <-> "OE2" Residue "1 ASP 204": "OD1" <-> "OD2" Residue "1 PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ASP 222": "OD1" <-> "OD2" Residue "1 PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 GLU 18": "OE1" <-> "OE2" Residue "2 PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 GLU 56": "OE1" <-> "OE2" Residue "2 GLU 77": "OE1" <-> "OE2" Residue "2 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 GLU 105": "OE1" <-> "OE2" Residue "2 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 GLU 124": "OE1" <-> "OE2" Residue "2 GLU 136": "OE1" <-> "OE2" Residue "2 GLU 140": "OE1" <-> "OE2" Residue "2 GLU 150": "OE1" <-> "OE2" Residue "2 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 GLU 165": "OE1" <-> "OE2" Residue "2 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 GLU 184": "OE1" <-> "OE2" Residue "2 ARG 186": "NH1" <-> "NH2" Residue "2 GLU 188": "OE1" <-> "OE2" Residue "2 ASP 204": "OD1" <-> "OD2" Residue "2 PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 ASP 222": "OD1" <-> "OD2" Residue "2 PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 GLU 18": "OE1" <-> "OE2" Residue "3 PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 GLU 56": "OE1" <-> "OE2" Residue "3 GLU 77": "OE1" <-> "OE2" Residue "3 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 GLU 105": "OE1" <-> "OE2" Residue "3 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 GLU 124": "OE1" <-> "OE2" Residue "3 GLU 136": "OE1" <-> "OE2" Residue "3 GLU 140": "OE1" <-> "OE2" Residue "3 GLU 150": "OE1" <-> "OE2" Residue "3 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 GLU 165": "OE1" <-> "OE2" Residue "3 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 GLU 184": "OE1" <-> "OE2" Residue "3 ARG 186": "NH1" <-> "NH2" Residue "3 GLU 188": "OE1" <-> "OE2" Residue "3 ASP 204": "OD1" <-> "OD2" Residue "3 PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ASP 222": "OD1" <-> "OD2" Residue "3 PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 GLU 18": "OE1" <-> "OE2" Residue "4 PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 GLU 56": "OE1" <-> "OE2" Residue "4 GLU 77": "OE1" <-> "OE2" Residue "4 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 GLU 105": "OE1" <-> "OE2" Residue "4 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 GLU 124": "OE1" <-> "OE2" Residue "4 GLU 136": "OE1" <-> "OE2" Residue "4 GLU 140": "OE1" <-> "OE2" Residue "4 GLU 150": "OE1" <-> "OE2" Residue "4 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 GLU 165": "OE1" <-> "OE2" Residue "4 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 GLU 184": "OE1" <-> "OE2" Residue "4 ARG 186": "NH1" <-> "NH2" Residue "4 GLU 188": "OE1" <-> "OE2" Residue "4 ASP 204": "OD1" <-> "OD2" Residue "4 PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 ASP 222": "OD1" <-> "OD2" Residue "4 PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 GLU 18": "OE1" <-> "OE2" Residue "5 PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 GLU 56": "OE1" <-> "OE2" Residue "5 GLU 77": "OE1" <-> "OE2" Residue "5 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 GLU 105": "OE1" <-> "OE2" Residue "5 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 GLU 124": "OE1" <-> "OE2" Residue "5 GLU 136": "OE1" <-> "OE2" Residue "5 GLU 140": "OE1" <-> "OE2" Residue "5 GLU 150": "OE1" <-> "OE2" Residue "5 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 GLU 165": "OE1" <-> "OE2" Residue "5 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 GLU 184": "OE1" <-> "OE2" Residue "5 ARG 186": "NH1" <-> "NH2" Residue "5 GLU 188": "OE1" <-> "OE2" Residue "5 ASP 204": "OD1" <-> "OD2" Residue "5 PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 ASP 222": "OD1" <-> "OD2" Residue "5 PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 GLU 18": "OE1" <-> "OE2" Residue "6 PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 GLU 56": "OE1" <-> "OE2" Residue "6 GLU 77": "OE1" <-> "OE2" Residue "6 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 GLU 105": "OE1" <-> "OE2" Residue "6 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 GLU 124": "OE1" <-> "OE2" Residue "6 GLU 136": "OE1" <-> "OE2" Residue "6 GLU 140": "OE1" <-> "OE2" Residue "6 GLU 150": "OE1" <-> "OE2" Residue "6 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 GLU 165": "OE1" <-> "OE2" Residue "6 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 GLU 184": "OE1" <-> "OE2" Residue "6 ARG 186": "NH1" <-> "NH2" Residue "6 GLU 188": "OE1" <-> "OE2" Residue "6 ASP 204": "OD1" <-> "OD2" Residue "6 PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 ASP 222": "OD1" <-> "OD2" Residue "6 PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 GLU 18": "OE1" <-> "OE2" Residue "7 PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 GLU 56": "OE1" <-> "OE2" Residue "7 GLU 77": "OE1" <-> "OE2" Residue "7 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 GLU 105": "OE1" <-> "OE2" Residue "7 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 GLU 124": "OE1" <-> "OE2" Residue "7 GLU 136": "OE1" <-> "OE2" Residue "7 GLU 140": "OE1" <-> "OE2" Residue "7 GLU 150": "OE1" <-> "OE2" Residue "7 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 GLU 165": "OE1" <-> "OE2" Residue "7 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 GLU 184": "OE1" <-> "OE2" Residue "7 ARG 186": "NH1" <-> "NH2" Residue "7 GLU 188": "OE1" <-> "OE2" Residue "7 ASP 204": "OD1" <-> "OD2" Residue "7 PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 ASP 222": "OD1" <-> "OD2" Residue "7 PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 GLU 18": "OE1" <-> "OE2" Residue "8 PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 GLU 56": "OE1" <-> "OE2" Residue "8 GLU 77": "OE1" <-> "OE2" Residue "8 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 GLU 105": "OE1" <-> "OE2" Residue "8 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 GLU 124": "OE1" <-> "OE2" Residue "8 GLU 136": "OE1" <-> "OE2" Residue "8 GLU 140": "OE1" <-> "OE2" Residue "8 GLU 150": "OE1" <-> "OE2" Residue "8 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 GLU 165": "OE1" <-> "OE2" Residue "8 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 GLU 184": "OE1" <-> "OE2" Residue "8 ARG 186": "NH1" <-> "NH2" Residue "8 GLU 188": "OE1" <-> "OE2" Residue "8 ASP 204": "OD1" <-> "OD2" Residue "8 PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 ASP 222": "OD1" <-> "OD2" Residue "8 PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 GLU 18": "OE1" <-> "OE2" Residue "9 PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 GLU 56": "OE1" <-> "OE2" Residue "9 GLU 77": "OE1" <-> "OE2" Residue "9 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 GLU 105": "OE1" <-> "OE2" Residue "9 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 GLU 124": "OE1" <-> "OE2" Residue "9 GLU 136": "OE1" <-> "OE2" Residue "9 GLU 140": "OE1" <-> "OE2" Residue "9 GLU 150": "OE1" <-> "OE2" Residue "9 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 GLU 165": "OE1" <-> "OE2" Residue "9 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 GLU 184": "OE1" <-> "OE2" Residue "9 ARG 186": "NH1" <-> "NH2" Residue "9 GLU 188": "OE1" <-> "OE2" Residue "9 ASP 204": "OD1" <-> "OD2" Residue "9 PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 ASP 222": "OD1" <-> "OD2" Residue "9 PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a GLU 18": "OE1" <-> "OE2" Residue "a PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a GLU 56": "OE1" <-> "OE2" Residue "a GLU 77": "OE1" <-> "OE2" Residue "a PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a GLU 105": "OE1" <-> "OE2" Residue "a PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a GLU 124": "OE1" <-> "OE2" Residue "a GLU 136": "OE1" <-> "OE2" Residue "a GLU 140": "OE1" <-> "OE2" Residue "a GLU 150": "OE1" <-> "OE2" Residue "a PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a GLU 165": "OE1" <-> "OE2" Residue "a PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a GLU 184": "OE1" <-> "OE2" Residue "a ARG 186": "NH1" <-> "NH2" Residue "a GLU 188": "OE1" <-> "OE2" Residue "a ASP 204": "OD1" <-> "OD2" Residue "a PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a ASP 222": "OD1" <-> "OD2" Residue "a PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b GLU 18": "OE1" <-> "OE2" Residue "b PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b GLU 56": "OE1" <-> "OE2" Residue "b GLU 77": "OE1" <-> "OE2" Residue "b PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b GLU 105": "OE1" <-> "OE2" Residue "b PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b GLU 124": "OE1" <-> "OE2" Residue "b GLU 136": "OE1" <-> "OE2" Residue "b GLU 140": "OE1" <-> "OE2" Residue "b GLU 150": "OE1" <-> "OE2" Residue "b PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b GLU 165": "OE1" <-> "OE2" Residue "b PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b GLU 184": "OE1" <-> "OE2" Residue "b ARG 186": "NH1" <-> "NH2" Residue "b GLU 188": "OE1" <-> "OE2" Residue "b ASP 204": "OD1" <-> "OD2" Residue "b PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b ASP 222": "OD1" <-> "OD2" Residue "b PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c GLU 18": "OE1" <-> "OE2" Residue "c PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c GLU 56": "OE1" <-> "OE2" Residue "c GLU 77": "OE1" <-> "OE2" Residue "c PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c GLU 105": "OE1" <-> "OE2" Residue "c PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c GLU 124": "OE1" <-> "OE2" Residue "c GLU 136": "OE1" <-> "OE2" Residue "c GLU 140": "OE1" <-> "OE2" Residue "c GLU 150": "OE1" <-> "OE2" Residue "c PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c GLU 165": "OE1" <-> "OE2" Residue "c PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c GLU 184": "OE1" <-> "OE2" Residue "c ARG 186": "NH1" <-> "NH2" Residue "c GLU 188": "OE1" <-> "OE2" Residue "c ASP 204": "OD1" <-> "OD2" Residue "c PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c ASP 222": "OD1" <-> "OD2" Residue "c PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d GLU 18": "OE1" <-> "OE2" Residue "d PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d GLU 56": "OE1" <-> "OE2" Residue "d GLU 77": "OE1" <-> "OE2" Residue "d PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d GLU 105": "OE1" <-> "OE2" Residue "d PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d GLU 124": "OE1" <-> "OE2" Residue "d GLU 136": "OE1" <-> "OE2" Residue "d GLU 140": "OE1" <-> "OE2" Residue "d GLU 150": "OE1" <-> "OE2" Residue "d PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d GLU 165": "OE1" <-> "OE2" Residue "d PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d GLU 184": "OE1" <-> "OE2" Residue "d ARG 186": "NH1" <-> "NH2" Residue "d GLU 188": "OE1" <-> "OE2" Residue "d ASP 204": "OD1" <-> "OD2" Residue "d PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d ASP 222": "OD1" <-> "OD2" Residue "d PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e GLU 18": "OE1" <-> "OE2" Residue "e PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e GLU 56": "OE1" <-> "OE2" Residue "e GLU 77": "OE1" <-> "OE2" Residue "e PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e GLU 105": "OE1" <-> "OE2" Residue "e PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e GLU 124": "OE1" <-> "OE2" Residue "e GLU 136": "OE1" <-> "OE2" Residue "e GLU 140": "OE1" <-> "OE2" Residue "e GLU 150": "OE1" <-> "OE2" Residue "e PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e GLU 165": "OE1" <-> "OE2" Residue "e PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e GLU 184": "OE1" <-> "OE2" Residue "e ARG 186": "NH1" <-> "NH2" Residue "e GLU 188": "OE1" <-> "OE2" Residue "e ASP 204": "OD1" <-> "OD2" Residue "e PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e ASP 222": "OD1" <-> "OD2" Residue "e PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f GLU 18": "OE1" <-> "OE2" Residue "f PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f GLU 56": "OE1" <-> "OE2" Residue "f GLU 77": "OE1" <-> "OE2" Residue "f PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f GLU 105": "OE1" <-> "OE2" Residue "f PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f GLU 124": "OE1" <-> "OE2" Residue "f GLU 136": "OE1" <-> "OE2" Residue "f GLU 140": "OE1" <-> "OE2" Residue "f GLU 150": "OE1" <-> "OE2" Residue "f PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f GLU 165": "OE1" <-> "OE2" Residue "f PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f GLU 184": "OE1" <-> "OE2" Residue "f ARG 186": "NH1" <-> "NH2" Residue "f GLU 188": "OE1" <-> "OE2" Residue "f ASP 204": "OD1" <-> "OD2" Residue "f PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f ASP 222": "OD1" <-> "OD2" Residue "f PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g GLU 18": "OE1" <-> "OE2" Residue "g PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g GLU 56": "OE1" <-> "OE2" Residue "g GLU 77": "OE1" <-> "OE2" Residue "g PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g GLU 105": "OE1" <-> "OE2" Residue "g PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g GLU 124": "OE1" <-> "OE2" Residue "g GLU 136": "OE1" <-> "OE2" Residue "g GLU 140": "OE1" <-> "OE2" Residue "g GLU 150": "OE1" <-> "OE2" Residue "g PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g GLU 165": "OE1" <-> "OE2" Residue "g PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g GLU 184": "OE1" <-> "OE2" Residue "g ARG 186": "NH1" <-> "NH2" Residue "g GLU 188": "OE1" <-> "OE2" Residue "g ASP 204": "OD1" <-> "OD2" Residue "g PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g ASP 222": "OD1" <-> "OD2" Residue "g PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h GLU 18": "OE1" <-> "OE2" Residue "h PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h GLU 56": "OE1" <-> "OE2" Residue "h GLU 77": "OE1" <-> "OE2" Residue "h PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h GLU 105": "OE1" <-> "OE2" Residue "h PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h GLU 124": "OE1" <-> "OE2" Residue "h GLU 136": "OE1" <-> "OE2" Residue "h GLU 140": "OE1" <-> "OE2" Residue "h GLU 150": "OE1" <-> "OE2" Residue "h PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h GLU 165": "OE1" <-> "OE2" Residue "h PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h GLU 184": "OE1" <-> "OE2" Residue "h ARG 186": "NH1" <-> "NH2" Residue "h GLU 188": "OE1" <-> "OE2" Residue "h ASP 204": "OD1" <-> "OD2" Residue "h PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h ASP 222": "OD1" <-> "OD2" Residue "h PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i GLU 18": "OE1" <-> "OE2" Residue "i PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i GLU 56": "OE1" <-> "OE2" Residue "i GLU 77": "OE1" <-> "OE2" Residue "i PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i GLU 105": "OE1" <-> "OE2" Residue "i PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i GLU 124": "OE1" <-> "OE2" Residue "i GLU 136": "OE1" <-> "OE2" Residue "i GLU 140": "OE1" <-> "OE2" Residue "i GLU 150": "OE1" <-> "OE2" Residue "i PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i GLU 165": "OE1" <-> "OE2" Residue "i PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i GLU 184": "OE1" <-> "OE2" Residue "i ARG 186": "NH1" <-> "NH2" Residue "i GLU 188": "OE1" <-> "OE2" Residue "i ASP 204": "OD1" <-> "OD2" Residue "i PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i ASP 222": "OD1" <-> "OD2" Residue "i PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j GLU 18": "OE1" <-> "OE2" Residue "j PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j GLU 56": "OE1" <-> "OE2" Residue "j GLU 77": "OE1" <-> "OE2" Residue "j PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j GLU 105": "OE1" <-> "OE2" Residue "j PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j GLU 124": "OE1" <-> "OE2" Residue "j GLU 136": "OE1" <-> "OE2" Residue "j GLU 140": "OE1" <-> "OE2" Residue "j GLU 150": "OE1" <-> "OE2" Residue "j PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j GLU 165": "OE1" <-> "OE2" Residue "j PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j GLU 184": "OE1" <-> "OE2" Residue "j ARG 186": "NH1" <-> "NH2" Residue "j GLU 188": "OE1" <-> "OE2" Residue "j ASP 204": "OD1" <-> "OD2" Residue "j PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j ASP 222": "OD1" <-> "OD2" Residue "j PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k GLU 18": "OE1" <-> "OE2" Residue "k PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k GLU 56": "OE1" <-> "OE2" Residue "k GLU 77": "OE1" <-> "OE2" Residue "k PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k GLU 105": "OE1" <-> "OE2" Residue "k PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k GLU 124": "OE1" <-> "OE2" Residue "k GLU 136": "OE1" <-> "OE2" Residue "k GLU 140": "OE1" <-> "OE2" Residue "k GLU 150": "OE1" <-> "OE2" Residue "k PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k GLU 165": "OE1" <-> "OE2" Residue "k PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k GLU 184": "OE1" <-> "OE2" Residue "k ARG 186": "NH1" <-> "NH2" Residue "k GLU 188": "OE1" <-> "OE2" Residue "k ASP 204": "OD1" <-> "OD2" Residue "k PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k ASP 222": "OD1" <-> "OD2" Residue "k PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l GLU 18": "OE1" <-> "OE2" Residue "l PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l GLU 56": "OE1" <-> "OE2" Residue "l GLU 77": "OE1" <-> "OE2" Residue "l PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l GLU 105": "OE1" <-> "OE2" Residue "l PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l GLU 124": "OE1" <-> "OE2" Residue "l GLU 136": "OE1" <-> "OE2" Residue "l GLU 140": "OE1" <-> "OE2" Residue "l GLU 150": "OE1" <-> "OE2" Residue "l PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l GLU 165": "OE1" <-> "OE2" Residue "l PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l GLU 184": "OE1" <-> "OE2" Residue "l ARG 186": "NH1" <-> "NH2" Residue "l GLU 188": "OE1" <-> "OE2" Residue "l ASP 204": "OD1" <-> "OD2" Residue "l PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l ASP 222": "OD1" <-> "OD2" Residue "l PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m GLU 18": "OE1" <-> "OE2" Residue "m PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m GLU 56": "OE1" <-> "OE2" Residue "m GLU 77": "OE1" <-> "OE2" Residue "m PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m GLU 105": "OE1" <-> "OE2" Residue "m PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m GLU 124": "OE1" <-> "OE2" Residue "m GLU 136": "OE1" <-> "OE2" Residue "m GLU 140": "OE1" <-> "OE2" Residue "m GLU 150": "OE1" <-> "OE2" Residue "m PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m GLU 165": "OE1" <-> "OE2" Residue "m PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m GLU 184": "OE1" <-> "OE2" Residue "m ARG 186": "NH1" <-> "NH2" Residue "m GLU 188": "OE1" <-> "OE2" Residue "m ASP 204": "OD1" <-> "OD2" Residue "m PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m ASP 222": "OD1" <-> "OD2" Residue "m PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n GLU 18": "OE1" <-> "OE2" Residue "n PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n GLU 56": "OE1" <-> "OE2" Residue "n GLU 77": "OE1" <-> "OE2" Residue "n PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n GLU 105": "OE1" <-> "OE2" Residue "n PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n GLU 124": "OE1" <-> "OE2" Residue "n GLU 136": "OE1" <-> "OE2" Residue "n GLU 140": "OE1" <-> "OE2" Residue "n GLU 150": "OE1" <-> "OE2" Residue "n PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n GLU 165": "OE1" <-> "OE2" Residue "n PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n GLU 184": "OE1" <-> "OE2" Residue "n ARG 186": "NH1" <-> "NH2" Residue "n GLU 188": "OE1" <-> "OE2" Residue "n ASP 204": "OD1" <-> "OD2" Residue "n PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n ASP 222": "OD1" <-> "OD2" Residue "n PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o GLU 18": "OE1" <-> "OE2" Residue "o PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o GLU 56": "OE1" <-> "OE2" Residue "o GLU 77": "OE1" <-> "OE2" Residue "o PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o GLU 105": "OE1" <-> "OE2" Residue "o PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o GLU 124": "OE1" <-> "OE2" Residue "o GLU 136": "OE1" <-> "OE2" Residue "o GLU 140": "OE1" <-> "OE2" Residue "o GLU 150": "OE1" <-> "OE2" Residue "o PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o GLU 165": "OE1" <-> "OE2" Residue "o PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o GLU 184": "OE1" <-> "OE2" Residue "o ARG 186": "NH1" <-> "NH2" Residue "o GLU 188": "OE1" <-> "OE2" Residue "o ASP 204": "OD1" <-> "OD2" Residue "o PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o ASP 222": "OD1" <-> "OD2" Residue "o PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p GLU 18": "OE1" <-> "OE2" Residue "p PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p GLU 56": "OE1" <-> "OE2" Residue "p GLU 77": "OE1" <-> "OE2" Residue "p PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p GLU 105": "OE1" <-> "OE2" Residue "p PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p GLU 124": "OE1" <-> "OE2" Residue "p GLU 136": "OE1" <-> "OE2" Residue "p GLU 140": "OE1" <-> "OE2" Residue "p GLU 150": "OE1" <-> "OE2" Residue "p PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p GLU 165": "OE1" <-> "OE2" Residue "p PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p GLU 184": "OE1" <-> "OE2" Residue "p ARG 186": "NH1" <-> "NH2" Residue "p GLU 188": "OE1" <-> "OE2" Residue "p ASP 204": "OD1" <-> "OD2" Residue "p PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p ASP 222": "OD1" <-> "OD2" Residue "p PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q GLU 18": "OE1" <-> "OE2" Residue "q PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q GLU 56": "OE1" <-> "OE2" Residue "q GLU 77": "OE1" <-> "OE2" Residue "q PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q GLU 105": "OE1" <-> "OE2" Residue "q PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q GLU 124": "OE1" <-> "OE2" Residue "q GLU 136": "OE1" <-> "OE2" Residue "q GLU 140": "OE1" <-> "OE2" Residue "q GLU 150": "OE1" <-> "OE2" Residue "q PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q GLU 165": "OE1" <-> "OE2" Residue "q PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q GLU 184": "OE1" <-> "OE2" Residue "q ARG 186": "NH1" <-> "NH2" Residue "q GLU 188": "OE1" <-> "OE2" Residue "q ASP 204": "OD1" <-> "OD2" Residue "q PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q ASP 222": "OD1" <-> "OD2" Residue "q PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r GLU 18": "OE1" <-> "OE2" Residue "r PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r GLU 56": "OE1" <-> "OE2" Residue "r GLU 77": "OE1" <-> "OE2" Residue "r PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r GLU 105": "OE1" <-> "OE2" Residue "r PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r GLU 124": "OE1" <-> "OE2" Residue "r GLU 136": "OE1" <-> "OE2" Residue "r GLU 140": "OE1" <-> "OE2" Residue "r GLU 150": "OE1" <-> "OE2" Residue "r PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r GLU 165": "OE1" <-> "OE2" Residue "r PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r GLU 184": "OE1" <-> "OE2" Residue "r ARG 186": "NH1" <-> "NH2" Residue "r GLU 188": "OE1" <-> "OE2" Residue "r ASP 204": "OD1" <-> "OD2" Residue "r PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r ASP 222": "OD1" <-> "OD2" Residue "r PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s GLU 18": "OE1" <-> "OE2" Residue "s PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s GLU 56": "OE1" <-> "OE2" Residue "s GLU 77": "OE1" <-> "OE2" Residue "s PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s GLU 105": "OE1" <-> "OE2" Residue "s PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s GLU 124": "OE1" <-> "OE2" Residue "s GLU 136": "OE1" <-> "OE2" Residue "s GLU 140": "OE1" <-> "OE2" Residue "s GLU 150": "OE1" <-> "OE2" Residue "s PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s GLU 165": "OE1" <-> "OE2" Residue "s PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s GLU 184": "OE1" <-> "OE2" Residue "s ARG 186": "NH1" <-> "NH2" Residue "s GLU 188": "OE1" <-> "OE2" Residue "s ASP 204": "OD1" <-> "OD2" Residue "s PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s ASP 222": "OD1" <-> "OD2" Residue "s PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t GLU 18": "OE1" <-> "OE2" Residue "t PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t GLU 56": "OE1" <-> "OE2" Residue "t GLU 77": "OE1" <-> "OE2" Residue "t PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t GLU 105": "OE1" <-> "OE2" Residue "t PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t GLU 124": "OE1" <-> "OE2" Residue "t GLU 136": "OE1" <-> "OE2" Residue "t GLU 140": "OE1" <-> "OE2" Residue "t GLU 150": "OE1" <-> "OE2" Residue "t PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t GLU 165": "OE1" <-> "OE2" Residue "t PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t GLU 184": "OE1" <-> "OE2" Residue "t ARG 186": "NH1" <-> "NH2" Residue "t GLU 188": "OE1" <-> "OE2" Residue "t ASP 204": "OD1" <-> "OD2" Residue "t PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t ASP 222": "OD1" <-> "OD2" Residue "t PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u GLU 18": "OE1" <-> "OE2" Residue "u PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u GLU 56": "OE1" <-> "OE2" Residue "u GLU 77": "OE1" <-> "OE2" Residue "u PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u GLU 105": "OE1" <-> "OE2" Residue "u PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u GLU 124": "OE1" <-> "OE2" Residue "u GLU 136": "OE1" <-> "OE2" Residue "u GLU 140": "OE1" <-> "OE2" Residue "u GLU 150": "OE1" <-> "OE2" Residue "u PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u GLU 165": "OE1" <-> "OE2" Residue "u PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u GLU 184": "OE1" <-> "OE2" Residue "u ARG 186": "NH1" <-> "NH2" Residue "u GLU 188": "OE1" <-> "OE2" Residue "u ASP 204": "OD1" <-> "OD2" Residue "u PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u ASP 222": "OD1" <-> "OD2" Residue "u PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v GLU 18": "OE1" <-> "OE2" Residue "v PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v GLU 56": "OE1" <-> "OE2" Residue "v GLU 77": "OE1" <-> "OE2" Residue "v PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v GLU 105": "OE1" <-> "OE2" Residue "v PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v GLU 124": "OE1" <-> "OE2" Residue "v GLU 136": "OE1" <-> "OE2" Residue "v GLU 140": "OE1" <-> "OE2" Residue "v GLU 150": "OE1" <-> "OE2" Residue "v PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v GLU 165": "OE1" <-> "OE2" Residue "v PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v GLU 184": "OE1" <-> "OE2" Residue "v ARG 186": "NH1" <-> "NH2" Residue "v GLU 188": "OE1" <-> "OE2" Residue "v ASP 204": "OD1" <-> "OD2" Residue "v PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v ASP 222": "OD1" <-> "OD2" Residue "v PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w GLU 18": "OE1" <-> "OE2" Residue "w PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w GLU 56": "OE1" <-> "OE2" Residue "w GLU 77": "OE1" <-> "OE2" Residue "w PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w GLU 105": "OE1" <-> "OE2" Residue "w PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w GLU 124": "OE1" <-> "OE2" Residue "w GLU 136": "OE1" <-> "OE2" Residue "w GLU 140": "OE1" <-> "OE2" Residue "w GLU 150": "OE1" <-> "OE2" Residue "w PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w GLU 165": "OE1" <-> "OE2" Residue "w PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w GLU 184": "OE1" <-> "OE2" Residue "w ARG 186": "NH1" <-> "NH2" Residue "w GLU 188": "OE1" <-> "OE2" Residue "w ASP 204": "OD1" <-> "OD2" Residue "w PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w ASP 222": "OD1" <-> "OD2" Residue "w PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x GLU 18": "OE1" <-> "OE2" Residue "x PHE 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x GLU 56": "OE1" <-> "OE2" Residue "x GLU 77": "OE1" <-> "OE2" Residue "x PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x GLU 105": "OE1" <-> "OE2" Residue "x PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x GLU 124": "OE1" <-> "OE2" Residue "x GLU 136": "OE1" <-> "OE2" Residue "x GLU 140": "OE1" <-> "OE2" Residue "x GLU 150": "OE1" <-> "OE2" Residue "x PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x GLU 165": "OE1" <-> "OE2" Residue "x PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x GLU 184": "OE1" <-> "OE2" Residue "x ARG 186": "NH1" <-> "NH2" Residue "x GLU 188": "OE1" <-> "OE2" Residue "x ASP 204": "OD1" <-> "OD2" Residue "x PHE 215": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x ASP 222": "OD1" <-> "OD2" Residue "x PHE 243": "CD1" <-> "CD2" "CE1" <-> "CE2" Time to flip residues: 0.38s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/chem_data/mon_lib" Total number of atoms: 127440 Number of models: 1 Model: "" Number of chains: 60 Chain: "A" Number of atoms: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 2124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 259, 2124 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: 43.51, per 1000 atoms: 0.34 Number of scatterers: 127440 At special positions: 0 Unit cell: (261.66, 261.66, 261.66, 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 24240 8.00 N 21240 7.00 C 81720 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: 27.60 Conformation dependent library (CDL) restraints added in 15.6 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: 360 helices and 180 sheets defined 35.3% alpha, 27.9% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 25.58 Creating SS restraints... Processing helix chain 'A' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE A 19 " --> pdb=" O GLN A 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP A 20 " --> pdb=" O TRP A 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN A 21 " --> pdb=" O GLN A 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG A 22 " --> pdb=" O GLU A 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA A 23 " --> pdb=" O ILE A 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE A 26 " --> pdb=" O ARG A 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS A 28 " --> pdb=" O ARG A 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR A 29 " --> pdb=" O GLU A 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU A 31 " --> pdb=" O PHE A 27 " (cutoff:3.500A) Processing helix chain 'A' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN A 91 " --> pdb=" O TRP A 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU A 92 " --> pdb=" O GLU A 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU A 93 " --> pdb=" O LEU A 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG A 94 " --> pdb=" O ASP A 90 " (cutoff:3.500A) Processing helix chain 'A' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU A 105 " --> pdb=" O LEU A 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU A 106 " --> pdb=" O SER A 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR A 107 " --> pdb=" O SER A 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA A 112 " --> pdb=" O VAL A 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU A 113 " --> pdb=" O ARG A 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE A 114 " --> pdb=" O LYS A 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU A 115 " --> pdb=" O VAL A 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP A 116 " --> pdb=" O ALA A 112 " (cutoff:3.500A) Processing helix chain 'A' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU A 148 " --> pdb=" O THR A 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU A 149 " --> pdb=" O PRO A 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU A 156 " --> pdb=" O ILE A 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER A 157 " --> pdb=" O VAL A 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE A 158 " --> pdb=" O ARG A 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE A 159 " --> pdb=" O ALA A 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER A 160 " --> pdb=" O LEU A 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS A 161 " --> pdb=" O SER A 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP A 162 " --> pdb=" O ILE A 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY A 163 " --> pdb=" O PHE A 159 " (cutoff:3.500A) Processing helix chain 'A' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE A 178 " --> pdb=" O THR A 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN A 179 " --> pdb=" O ASP A 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE A 180 " --> pdb=" O ARG A 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU A 181 " --> pdb=" O TRP A 177 " (cutoff:3.500A) Processing helix chain 'A' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL A 187 " --> pdb=" O GLU A 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG A 192 " --> pdb=" O GLU A 188 " (cutoff:3.500A) Processing helix chain 'B' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE B 19 " --> pdb=" O GLN B 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP B 20 " --> pdb=" O TRP B 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN B 21 " --> pdb=" O GLN B 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG B 22 " --> pdb=" O GLU B 18 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N ALA B 23 " --> pdb=" O ILE B 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE B 26 " --> pdb=" O ARG B 22 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N LYS B 28 " --> pdb=" O ARG B 24 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N THR B 29 " --> pdb=" O GLU B 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU B 31 " --> pdb=" O PHE B 27 " (cutoff:3.500A) Processing helix chain 'B' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN B 91 " --> pdb=" O TRP B 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU B 92 " --> pdb=" O GLU B 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU B 93 " --> pdb=" O LEU B 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG B 94 " --> pdb=" O ASP B 90 " (cutoff:3.500A) Processing helix chain 'B' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU B 105 " --> pdb=" O LEU B 101 " (cutoff:3.500A) removed outlier: 3.961A pdb=" N GLU B 106 " --> pdb=" O SER B 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR B 107 " --> pdb=" O SER B 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA B 112 " --> pdb=" O VAL B 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU B 113 " --> pdb=" O ARG B 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE B 114 " --> pdb=" O LYS B 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU B 115 " --> pdb=" O VAL B 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP B 116 " --> pdb=" O ALA B 112 " (cutoff:3.500A) Processing helix chain 'B' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU B 148 " --> pdb=" O THR B 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU B 149 " --> pdb=" O PRO B 145 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N LEU B 156 " --> pdb=" O ILE B 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER B 157 " --> pdb=" O VAL B 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE B 158 " --> pdb=" O ARG B 154 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N PHE B 159 " --> pdb=" O ALA B 155 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N SER B 160 " --> pdb=" O LEU B 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS B 161 " --> pdb=" O SER B 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP B 162 " --> pdb=" O ILE B 158 " (cutoff:3.500A) removed outlier: 4.432A pdb=" N GLY B 163 " --> pdb=" O PHE B 159 " (cutoff:3.500A) Processing helix chain 'B' and resid 173 through 181 removed outlier: 3.775A pdb=" N ILE B 178 " --> pdb=" O THR B 174 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N ASN B 179 " --> pdb=" O ASP B 175 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N PHE B 180 " --> pdb=" O ARG B 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU B 181 " --> pdb=" O TRP B 177 " (cutoff:3.500A) Processing helix chain 'B' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL B 187 " --> pdb=" O GLU B 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG B 192 " --> pdb=" O GLU B 188 " (cutoff:3.500A) Processing helix chain 'C' and resid 12 through 31 removed outlier: 3.651A pdb=" N ILE C 19 " --> pdb=" O GLN C 15 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ASP C 20 " --> pdb=" O TRP C 16 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ASN C 21 " --> pdb=" O GLN C 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG C 22 " --> pdb=" O GLU C 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA C 23 " --> pdb=" O ILE C 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE C 26 " --> pdb=" O ARG C 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS C 28 " --> pdb=" O ARG C 24 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N THR C 29 " --> pdb=" O GLU C 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU C 31 " --> pdb=" O PHE C 27 " (cutoff:3.500A) Processing helix chain 'C' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN C 91 " --> pdb=" O TRP C 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU C 92 " --> pdb=" O GLU C 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU C 93 " --> pdb=" O LEU C 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG C 94 " --> pdb=" O ASP C 90 " (cutoff:3.500A) Processing helix chain 'C' and resid 101 through 121 removed outlier: 4.497A pdb=" N GLU C 105 " --> pdb=" O LEU C 101 " (cutoff:3.500A) removed outlier: 3.961A pdb=" N GLU C 106 " --> pdb=" O SER C 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR C 107 " --> pdb=" O SER C 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA C 112 " --> pdb=" O VAL C 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU C 113 " --> pdb=" O ARG C 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE C 114 " --> pdb=" O LYS C 110 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N GLU C 115 " --> pdb=" O VAL C 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP C 116 " --> pdb=" O ALA C 112 " (cutoff:3.500A) Processing helix chain 'C' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU C 148 " --> pdb=" O THR C 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU C 149 " --> pdb=" O PRO C 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU C 156 " --> pdb=" O ILE C 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER C 157 " --> pdb=" O VAL C 153 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N ILE C 158 " --> pdb=" O ARG C 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE C 159 " --> pdb=" O ALA C 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER C 160 " --> pdb=" O LEU C 156 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N LYS C 161 " --> pdb=" O SER C 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP C 162 " --> pdb=" O ILE C 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY C 163 " --> pdb=" O PHE C 159 " (cutoff:3.500A) Processing helix chain 'C' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE C 178 " --> pdb=" O THR C 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN C 179 " --> pdb=" O ASP C 175 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N PHE C 180 " --> pdb=" O ARG C 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU C 181 " --> pdb=" O TRP C 177 " (cutoff:3.500A) Processing helix chain 'C' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL C 187 " --> pdb=" O GLU C 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG C 192 " --> pdb=" O GLU C 188 " (cutoff:3.500A) Processing helix chain 'D' and resid 12 through 31 removed outlier: 3.649A pdb=" N ILE D 19 " --> pdb=" O GLN D 15 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ASP D 20 " --> pdb=" O TRP D 16 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ASN D 21 " --> pdb=" O GLN D 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG D 22 " --> pdb=" O GLU D 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA D 23 " --> pdb=" O ILE D 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE D 26 " --> pdb=" O ARG D 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS D 28 " --> pdb=" O ARG D 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR D 29 " --> pdb=" O GLU D 25 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N LEU D 31 " --> pdb=" O PHE D 27 " (cutoff:3.500A) Processing helix chain 'D' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN D 91 " --> pdb=" O TRP D 87 " (cutoff:3.500A) removed outlier: 4.924A pdb=" N LEU D 92 " --> pdb=" O GLU D 88 " (cutoff:3.500A) removed outlier: 5.210A pdb=" N GLU D 93 " --> pdb=" O LEU D 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG D 94 " --> pdb=" O ASP D 90 " (cutoff:3.500A) Processing helix chain 'D' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU D 105 " --> pdb=" O LEU D 101 " (cutoff:3.500A) removed outlier: 3.961A pdb=" N GLU D 106 " --> pdb=" O SER D 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR D 107 " --> pdb=" O SER D 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA D 112 " --> pdb=" O VAL D 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU D 113 " --> pdb=" O ARG D 109 " (cutoff:3.500A) removed outlier: 3.981A pdb=" N PHE D 114 " --> pdb=" O LYS D 110 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N GLU D 115 " --> pdb=" O VAL D 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP D 116 " --> pdb=" O ALA D 112 " (cutoff:3.500A) Processing helix chain 'D' and resid 144 through 163 removed outlier: 3.695A pdb=" N LEU D 148 " --> pdb=" O THR D 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU D 149 " --> pdb=" O PRO D 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU D 156 " --> pdb=" O ILE D 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER D 157 " --> pdb=" O VAL D 153 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N ILE D 158 " --> pdb=" O ARG D 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE D 159 " --> pdb=" O ALA D 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER D 160 " --> pdb=" O LEU D 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS D 161 " --> pdb=" O SER D 157 " (cutoff:3.500A) removed outlier: 4.010A pdb=" N ASP D 162 " --> pdb=" O ILE D 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY D 163 " --> pdb=" O PHE D 159 " (cutoff:3.500A) Processing helix chain 'D' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE D 178 " --> pdb=" O THR D 174 " (cutoff:3.500A) removed outlier: 4.370A pdb=" N ASN D 179 " --> pdb=" O ASP D 175 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N PHE D 180 " --> pdb=" O ARG D 176 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N LEU D 181 " --> pdb=" O TRP D 177 " (cutoff:3.500A) Processing helix chain 'D' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL D 187 " --> pdb=" O GLU D 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG D 192 " --> pdb=" O GLU D 188 " (cutoff:3.500A) Processing helix chain 'E' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE E 19 " --> pdb=" O GLN E 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP E 20 " --> pdb=" O TRP E 16 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ASN E 21 " --> pdb=" O GLN E 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG E 22 " --> pdb=" O GLU E 18 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N ALA E 23 " --> pdb=" O ILE E 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE E 26 " --> pdb=" O ARG E 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS E 28 " --> pdb=" O ARG E 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR E 29 " --> pdb=" O GLU E 25 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N LEU E 31 " --> pdb=" O PHE E 27 " (cutoff:3.500A) Processing helix chain 'E' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN E 91 " --> pdb=" O TRP E 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU E 92 " --> pdb=" O GLU E 88 " (cutoff:3.500A) removed outlier: 5.210A pdb=" N GLU E 93 " --> pdb=" O LEU E 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG E 94 " --> pdb=" O ASP E 90 " (cutoff:3.500A) Processing helix chain 'E' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU E 105 " --> pdb=" O LEU E 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU E 106 " --> pdb=" O SER E 102 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N THR E 107 " --> pdb=" O SER E 103 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N ALA E 112 " --> pdb=" O VAL E 108 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLU E 113 " --> pdb=" O ARG E 109 " (cutoff:3.500A) removed outlier: 3.981A pdb=" N PHE E 114 " --> pdb=" O LYS E 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU E 115 " --> pdb=" O VAL E 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP E 116 " --> pdb=" O ALA E 112 " (cutoff:3.500A) Processing helix chain 'E' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU E 148 " --> pdb=" O THR E 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU E 149 " --> pdb=" O PRO E 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU E 156 " --> pdb=" O ILE E 152 " (cutoff:3.500A) removed outlier: 4.029A pdb=" N SER E 157 " --> pdb=" O VAL E 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE E 158 " --> pdb=" O ARG E 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE E 159 " --> pdb=" O ALA E 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER E 160 " --> pdb=" O LEU E 156 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N LYS E 161 " --> pdb=" O SER E 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP E 162 " --> pdb=" O ILE E 158 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N GLY E 163 " --> pdb=" O PHE E 159 " (cutoff:3.500A) Processing helix chain 'E' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE E 178 " --> pdb=" O THR E 174 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N ASN E 179 " --> pdb=" O ASP E 175 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N PHE E 180 " --> pdb=" O ARG E 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU E 181 " --> pdb=" O TRP E 177 " (cutoff:3.500A) Processing helix chain 'E' and resid 183 through 192 removed outlier: 4.828A pdb=" N VAL E 187 " --> pdb=" O GLU E 183 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ARG E 192 " --> pdb=" O GLU E 188 " (cutoff:3.500A) Processing helix chain 'F' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE F 19 " --> pdb=" O GLN F 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP F 20 " --> pdb=" O TRP F 16 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ASN F 21 " --> pdb=" O GLN F 17 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ARG F 22 " --> pdb=" O GLU F 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA F 23 " --> pdb=" O ILE F 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE F 26 " --> pdb=" O ARG F 22 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N LYS F 28 " --> pdb=" O ARG F 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR F 29 " --> pdb=" O GLU F 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU F 31 " --> pdb=" O PHE F 27 " (cutoff:3.500A) Processing helix chain 'F' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN F 91 " --> pdb=" O TRP F 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU F 92 " --> pdb=" O GLU F 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU F 93 " --> pdb=" O LEU F 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG F 94 " --> pdb=" O ASP F 90 " (cutoff:3.500A) Processing helix chain 'F' and resid 101 through 121 removed outlier: 4.497A pdb=" N GLU F 105 " --> pdb=" O LEU F 101 " (cutoff:3.500A) removed outlier: 3.961A pdb=" N GLU F 106 " --> pdb=" O SER F 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR F 107 " --> pdb=" O SER F 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA F 112 " --> pdb=" O VAL F 108 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLU F 113 " --> pdb=" O ARG F 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE F 114 " --> pdb=" O LYS F 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU F 115 " --> pdb=" O VAL F 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP F 116 " --> pdb=" O ALA F 112 " (cutoff:3.500A) Processing helix chain 'F' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU F 148 " --> pdb=" O THR F 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU F 149 " --> pdb=" O PRO F 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU F 156 " --> pdb=" O ILE F 152 " (cutoff:3.500A) removed outlier: 4.029A pdb=" N SER F 157 " --> pdb=" O VAL F 153 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N ILE F 158 " --> pdb=" O ARG F 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE F 159 " --> pdb=" O ALA F 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER F 160 " --> pdb=" O LEU F 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS F 161 " --> pdb=" O SER F 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP F 162 " --> pdb=" O ILE F 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY F 163 " --> pdb=" O PHE F 159 " (cutoff:3.500A) Processing helix chain 'F' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE F 178 " --> pdb=" O THR F 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN F 179 " --> pdb=" O ASP F 175 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N PHE F 180 " --> pdb=" O ARG F 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU F 181 " --> pdb=" O TRP F 177 " (cutoff:3.500A) Processing helix chain 'F' and resid 183 through 192 removed outlier: 4.826A pdb=" N VAL F 187 " --> pdb=" O GLU F 183 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N ARG F 192 " --> pdb=" O GLU F 188 " (cutoff:3.500A) Processing helix chain 'G' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE G 19 " --> pdb=" O GLN G 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP G 20 " --> pdb=" O TRP G 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN G 21 " --> pdb=" O GLN G 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG G 22 " --> pdb=" O GLU G 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA G 23 " --> pdb=" O ILE G 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE G 26 " --> pdb=" O ARG G 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS G 28 " --> pdb=" O ARG G 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR G 29 " --> pdb=" O GLU G 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU G 31 " --> pdb=" O PHE G 27 " (cutoff:3.500A) Processing helix chain 'G' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN G 91 " --> pdb=" O TRP G 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU G 92 " --> pdb=" O GLU G 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU G 93 " --> pdb=" O LEU G 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG G 94 " --> pdb=" O ASP G 90 " (cutoff:3.500A) Processing helix chain 'G' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU G 105 " --> pdb=" O LEU G 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU G 106 " --> pdb=" O SER G 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR G 107 " --> pdb=" O SER G 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA G 112 " --> pdb=" O VAL G 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU G 113 " --> pdb=" O ARG G 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE G 114 " --> pdb=" O LYS G 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU G 115 " --> pdb=" O VAL G 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP G 116 " --> pdb=" O ALA G 112 " (cutoff:3.500A) Processing helix chain 'G' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU G 148 " --> pdb=" O THR G 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU G 149 " --> pdb=" O PRO G 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU G 156 " --> pdb=" O ILE G 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER G 157 " --> pdb=" O VAL G 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE G 158 " --> pdb=" O ARG G 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE G 159 " --> pdb=" O ALA G 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER G 160 " --> pdb=" O LEU G 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS G 161 " --> pdb=" O SER G 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP G 162 " --> pdb=" O ILE G 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY G 163 " --> pdb=" O PHE G 159 " (cutoff:3.500A) Processing helix chain 'G' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE G 178 " --> pdb=" O THR G 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN G 179 " --> pdb=" O ASP G 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE G 180 " --> pdb=" O ARG G 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU G 181 " --> pdb=" O TRP G 177 " (cutoff:3.500A) Processing helix chain 'G' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL G 187 " --> pdb=" O GLU G 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG G 192 " --> pdb=" O GLU G 188 " (cutoff:3.500A) Processing helix chain 'H' and resid 12 through 31 removed outlier: 3.649A pdb=" N ILE H 19 " --> pdb=" O GLN H 15 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ASP H 20 " --> pdb=" O TRP H 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN H 21 " --> pdb=" O GLN H 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG H 22 " --> pdb=" O GLU H 18 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N ALA H 23 " --> pdb=" O ILE H 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE H 26 " --> pdb=" O ARG H 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS H 28 " --> pdb=" O ARG H 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR H 29 " --> pdb=" O GLU H 25 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N LEU H 31 " --> pdb=" O PHE H 27 " (cutoff:3.500A) Processing helix chain 'H' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN H 91 " --> pdb=" O TRP H 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU H 92 " --> pdb=" O GLU H 88 " (cutoff:3.500A) removed outlier: 5.210A pdb=" N GLU H 93 " --> pdb=" O LEU H 89 " (cutoff:3.500A) removed outlier: 4.078A pdb=" N ARG H 94 " --> pdb=" O ASP H 90 " (cutoff:3.500A) Processing helix chain 'H' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU H 105 " --> pdb=" O LEU H 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU H 106 " --> pdb=" O SER H 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR H 107 " --> pdb=" O SER H 103 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N ALA H 112 " --> pdb=" O VAL H 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU H 113 " --> pdb=" O ARG H 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE H 114 " --> pdb=" O LYS H 110 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N GLU H 115 " --> pdb=" O VAL H 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP H 116 " --> pdb=" O ALA H 112 " (cutoff:3.500A) Processing helix chain 'H' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU H 148 " --> pdb=" O THR H 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU H 149 " --> pdb=" O PRO H 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU H 156 " --> pdb=" O ILE H 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER H 157 " --> pdb=" O VAL H 153 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N ILE H 158 " --> pdb=" O ARG H 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE H 159 " --> pdb=" O ALA H 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER H 160 " --> pdb=" O LEU H 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS H 161 " --> pdb=" O SER H 157 " (cutoff:3.500A) removed outlier: 4.010A pdb=" N ASP H 162 " --> pdb=" O ILE H 158 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N GLY H 163 " --> pdb=" O PHE H 159 " (cutoff:3.500A) Processing helix chain 'H' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE H 178 " --> pdb=" O THR H 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN H 179 " --> pdb=" O ASP H 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE H 180 " --> pdb=" O ARG H 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU H 181 " --> pdb=" O TRP H 177 " (cutoff:3.500A) Processing helix chain 'H' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL H 187 " --> pdb=" O GLU H 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG H 192 " --> pdb=" O GLU H 188 " (cutoff:3.500A) Processing helix chain 'I' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE I 19 " --> pdb=" O GLN I 15 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ASP I 20 " --> pdb=" O TRP I 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN I 21 " --> pdb=" O GLN I 17 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ARG I 22 " --> pdb=" O GLU I 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA I 23 " --> pdb=" O ILE I 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE I 26 " --> pdb=" O ARG I 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS I 28 " --> pdb=" O ARG I 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR I 29 " --> pdb=" O GLU I 25 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N LEU I 31 " --> pdb=" O PHE I 27 " (cutoff:3.500A) Processing helix chain 'I' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN I 91 " --> pdb=" O TRP I 87 " (cutoff:3.500A) removed outlier: 4.924A pdb=" N LEU I 92 " --> pdb=" O GLU I 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU I 93 " --> pdb=" O LEU I 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG I 94 " --> pdb=" O ASP I 90 " (cutoff:3.500A) Processing helix chain 'I' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU I 105 " --> pdb=" O LEU I 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU I 106 " --> pdb=" O SER I 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR I 107 " --> pdb=" O SER I 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA I 112 " --> pdb=" O VAL I 108 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLU I 113 " --> pdb=" O ARG I 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE I 114 " --> pdb=" O LYS I 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU I 115 " --> pdb=" O VAL I 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP I 116 " --> pdb=" O ALA I 112 " (cutoff:3.500A) Processing helix chain 'I' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU I 148 " --> pdb=" O THR I 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU I 149 " --> pdb=" O PRO I 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU I 156 " --> pdb=" O ILE I 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER I 157 " --> pdb=" O VAL I 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE I 158 " --> pdb=" O ARG I 154 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N PHE I 159 " --> pdb=" O ALA I 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER I 160 " --> pdb=" O LEU I 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS I 161 " --> pdb=" O SER I 157 " (cutoff:3.500A) removed outlier: 4.008A pdb=" N ASP I 162 " --> pdb=" O ILE I 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY I 163 " --> pdb=" O PHE I 159 " (cutoff:3.500A) Processing helix chain 'I' and resid 173 through 181 removed outlier: 3.775A pdb=" N ILE I 178 " --> pdb=" O THR I 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN I 179 " --> pdb=" O ASP I 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE I 180 " --> pdb=" O ARG I 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU I 181 " --> pdb=" O TRP I 177 " (cutoff:3.500A) Processing helix chain 'I' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL I 187 " --> pdb=" O GLU I 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG I 192 " --> pdb=" O GLU I 188 " (cutoff:3.500A) Processing helix chain 'J' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE J 19 " --> pdb=" O GLN J 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP J 20 " --> pdb=" O TRP J 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN J 21 " --> pdb=" O GLN J 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG J 22 " --> pdb=" O GLU J 18 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N ALA J 23 " --> pdb=" O ILE J 19 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ILE J 26 " --> pdb=" O ARG J 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS J 28 " --> pdb=" O ARG J 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR J 29 " --> pdb=" O GLU J 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU J 31 " --> pdb=" O PHE J 27 " (cutoff:3.500A) Processing helix chain 'J' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN J 91 " --> pdb=" O TRP J 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU J 92 " --> pdb=" O GLU J 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU J 93 " --> pdb=" O LEU J 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG J 94 " --> pdb=" O ASP J 90 " (cutoff:3.500A) Processing helix chain 'J' and resid 101 through 121 removed outlier: 4.497A pdb=" N GLU J 105 " --> pdb=" O LEU J 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU J 106 " --> pdb=" O SER J 102 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N THR J 107 " --> pdb=" O SER J 103 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N ALA J 112 " --> pdb=" O VAL J 108 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLU J 113 " --> pdb=" O ARG J 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE J 114 " --> pdb=" O LYS J 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU J 115 " --> pdb=" O VAL J 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP J 116 " --> pdb=" O ALA J 112 " (cutoff:3.500A) Processing helix chain 'J' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU J 148 " --> pdb=" O THR J 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU J 149 " --> pdb=" O PRO J 145 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N LEU J 156 " --> pdb=" O ILE J 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER J 157 " --> pdb=" O VAL J 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE J 158 " --> pdb=" O ARG J 154 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N PHE J 159 " --> pdb=" O ALA J 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER J 160 " --> pdb=" O LEU J 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS J 161 " --> pdb=" O SER J 157 " (cutoff:3.500A) removed outlier: 4.008A pdb=" N ASP J 162 " --> pdb=" O ILE J 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY J 163 " --> pdb=" O PHE J 159 " (cutoff:3.500A) Processing helix chain 'J' and resid 173 through 181 removed outlier: 3.775A pdb=" N ILE J 178 " --> pdb=" O THR J 174 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N ASN J 179 " --> pdb=" O ASP J 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE J 180 " --> pdb=" O ARG J 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU J 181 " --> pdb=" O TRP J 177 " (cutoff:3.500A) Processing helix chain 'J' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL J 187 " --> pdb=" O GLU J 183 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ARG J 192 " --> pdb=" O GLU J 188 " (cutoff:3.500A) Processing helix chain 'K' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE K 19 " --> pdb=" O GLN K 15 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ASP K 20 " --> pdb=" O TRP K 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN K 21 " --> pdb=" O GLN K 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG K 22 " --> pdb=" O GLU K 18 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N ALA K 23 " --> pdb=" O ILE K 19 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ILE K 26 " --> pdb=" O ARG K 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS K 28 " --> pdb=" O ARG K 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR K 29 " --> pdb=" O GLU K 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU K 31 " --> pdb=" O PHE K 27 " (cutoff:3.500A) Processing helix chain 'K' and resid 85 through 95 removed outlier: 3.810A pdb=" N ASN K 91 " --> pdb=" O TRP K 87 " (cutoff:3.500A) removed outlier: 4.924A pdb=" N LEU K 92 " --> pdb=" O GLU K 88 " (cutoff:3.500A) removed outlier: 5.210A pdb=" N GLU K 93 " --> pdb=" O LEU K 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG K 94 " --> pdb=" O ASP K 90 " (cutoff:3.500A) Processing helix chain 'K' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU K 105 " --> pdb=" O LEU K 101 " (cutoff:3.500A) removed outlier: 3.961A pdb=" N GLU K 106 " --> pdb=" O SER K 102 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N THR K 107 " --> pdb=" O SER K 103 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N ALA K 112 " --> pdb=" O VAL K 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU K 113 " --> pdb=" O ARG K 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE K 114 " --> pdb=" O LYS K 110 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N GLU K 115 " --> pdb=" O VAL K 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP K 116 " --> pdb=" O ALA K 112 " (cutoff:3.500A) Processing helix chain 'K' and resid 144 through 163 removed outlier: 3.695A pdb=" N LEU K 148 " --> pdb=" O THR K 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU K 149 " --> pdb=" O PRO K 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU K 156 " --> pdb=" O ILE K 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER K 157 " --> pdb=" O VAL K 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE K 158 " --> pdb=" O ARG K 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE K 159 " --> pdb=" O ALA K 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER K 160 " --> pdb=" O LEU K 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS K 161 " --> pdb=" O SER K 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP K 162 " --> pdb=" O ILE K 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY K 163 " --> pdb=" O PHE K 159 " (cutoff:3.500A) Processing helix chain 'K' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE K 178 " --> pdb=" O THR K 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN K 179 " --> pdb=" O ASP K 175 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N PHE K 180 " --> pdb=" O ARG K 176 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N LEU K 181 " --> pdb=" O TRP K 177 " (cutoff:3.500A) Processing helix chain 'K' and resid 183 through 192 removed outlier: 4.826A pdb=" N VAL K 187 " --> pdb=" O GLU K 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG K 192 " --> pdb=" O GLU K 188 " (cutoff:3.500A) Processing helix chain 'L' and resid 12 through 31 removed outlier: 3.649A pdb=" N ILE L 19 " --> pdb=" O GLN L 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP L 20 " --> pdb=" O TRP L 16 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ASN L 21 " --> pdb=" O GLN L 17 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ARG L 22 " --> pdb=" O GLU L 18 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N ALA L 23 " --> pdb=" O ILE L 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE L 26 " --> pdb=" O ARG L 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS L 28 " --> pdb=" O ARG L 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR L 29 " --> pdb=" O GLU L 25 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N LEU L 31 " --> pdb=" O PHE L 27 " (cutoff:3.500A) Processing helix chain 'L' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN L 91 " --> pdb=" O TRP L 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU L 92 " --> pdb=" O GLU L 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU L 93 " --> pdb=" O LEU L 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG L 94 " --> pdb=" O ASP L 90 " (cutoff:3.500A) Processing helix chain 'L' and resid 101 through 121 removed outlier: 4.499A pdb=" N GLU L 105 " --> pdb=" O LEU L 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU L 106 " --> pdb=" O SER L 102 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N THR L 107 " --> pdb=" O SER L 103 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N ALA L 112 " --> pdb=" O VAL L 108 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLU L 113 " --> pdb=" O ARG L 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE L 114 " --> pdb=" O LYS L 110 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N GLU L 115 " --> pdb=" O VAL L 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP L 116 " --> pdb=" O ALA L 112 " (cutoff:3.500A) Processing helix chain 'L' and resid 144 through 163 removed outlier: 3.695A pdb=" N LEU L 148 " --> pdb=" O THR L 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU L 149 " --> pdb=" O PRO L 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU L 156 " --> pdb=" O ILE L 152 " (cutoff:3.500A) removed outlier: 4.029A pdb=" N SER L 157 " --> pdb=" O VAL L 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE L 158 " --> pdb=" O ARG L 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE L 159 " --> pdb=" O ALA L 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER L 160 " --> pdb=" O LEU L 156 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N LYS L 161 " --> pdb=" O SER L 157 " (cutoff:3.500A) removed outlier: 4.010A pdb=" N ASP L 162 " --> pdb=" O ILE L 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY L 163 " --> pdb=" O PHE L 159 " (cutoff:3.500A) Processing helix chain 'L' and resid 173 through 181 removed outlier: 3.775A pdb=" N ILE L 178 " --> pdb=" O THR L 174 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N ASN L 179 " --> pdb=" O ASP L 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE L 180 " --> pdb=" O ARG L 176 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N LEU L 181 " --> pdb=" O TRP L 177 " (cutoff:3.500A) Processing helix chain 'L' and resid 183 through 192 removed outlier: 4.828A pdb=" N VAL L 187 " --> pdb=" O GLU L 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG L 192 " --> pdb=" O GLU L 188 " (cutoff:3.500A) Processing helix chain 'M' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE M 19 " --> pdb=" O GLN M 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP M 20 " --> pdb=" O TRP M 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN M 21 " --> pdb=" O GLN M 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG M 22 " --> pdb=" O GLU M 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA M 23 " --> pdb=" O ILE M 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE M 26 " --> pdb=" O ARG M 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS M 28 " --> pdb=" O ARG M 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR M 29 " --> pdb=" O GLU M 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU M 31 " --> pdb=" O PHE M 27 " (cutoff:3.500A) Processing helix chain 'M' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN M 91 " --> pdb=" O TRP M 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU M 92 " --> pdb=" O GLU M 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU M 93 " --> pdb=" O LEU M 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG M 94 " --> pdb=" O ASP M 90 " (cutoff:3.500A) Processing helix chain 'M' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU M 105 " --> pdb=" O LEU M 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU M 106 " --> pdb=" O SER M 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR M 107 " --> pdb=" O SER M 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA M 112 " --> pdb=" O VAL M 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU M 113 " --> pdb=" O ARG M 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE M 114 " --> pdb=" O LYS M 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU M 115 " --> pdb=" O VAL M 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP M 116 " --> pdb=" O ALA M 112 " (cutoff:3.500A) Processing helix chain 'M' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU M 148 " --> pdb=" O THR M 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU M 149 " --> pdb=" O PRO M 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU M 156 " --> pdb=" O ILE M 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER M 157 " --> pdb=" O VAL M 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE M 158 " --> pdb=" O ARG M 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE M 159 " --> pdb=" O ALA M 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER M 160 " --> pdb=" O LEU M 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS M 161 " --> pdb=" O SER M 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP M 162 " --> pdb=" O ILE M 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY M 163 " --> pdb=" O PHE M 159 " (cutoff:3.500A) Processing helix chain 'M' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE M 178 " --> pdb=" O THR M 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN M 179 " --> pdb=" O ASP M 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE M 180 " --> pdb=" O ARG M 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU M 181 " --> pdb=" O TRP M 177 " (cutoff:3.500A) Processing helix chain 'M' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL M 187 " --> pdb=" O GLU M 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG M 192 " --> pdb=" O GLU M 188 " (cutoff:3.500A) Processing helix chain 'N' and resid 12 through 31 removed outlier: 3.649A pdb=" N ILE N 19 " --> pdb=" O GLN N 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP N 20 " --> pdb=" O TRP N 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN N 21 " --> pdb=" O GLN N 17 " (cutoff:3.500A) removed outlier: 4.089A pdb=" N ARG N 22 " --> pdb=" O GLU N 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA N 23 " --> pdb=" O ILE N 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE N 26 " --> pdb=" O ARG N 22 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N LYS N 28 " --> pdb=" O ARG N 24 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N THR N 29 " --> pdb=" O GLU N 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU N 31 " --> pdb=" O PHE N 27 " (cutoff:3.500A) Processing helix chain 'N' and resid 85 through 95 removed outlier: 3.810A pdb=" N ASN N 91 " --> pdb=" O TRP N 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU N 92 " --> pdb=" O GLU N 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU N 93 " --> pdb=" O LEU N 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG N 94 " --> pdb=" O ASP N 90 " (cutoff:3.500A) Processing helix chain 'N' and resid 101 through 121 removed outlier: 4.497A pdb=" N GLU N 105 " --> pdb=" O LEU N 101 " (cutoff:3.500A) removed outlier: 3.961A pdb=" N GLU N 106 " --> pdb=" O SER N 102 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N THR N 107 " --> pdb=" O SER N 103 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N ALA N 112 " --> pdb=" O VAL N 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU N 113 " --> pdb=" O ARG N 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE N 114 " --> pdb=" O LYS N 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU N 115 " --> pdb=" O VAL N 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP N 116 " --> pdb=" O ALA N 112 " (cutoff:3.500A) Processing helix chain 'N' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU N 148 " --> pdb=" O THR N 144 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N LEU N 149 " --> pdb=" O PRO N 145 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N LEU N 156 " --> pdb=" O ILE N 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER N 157 " --> pdb=" O VAL N 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE N 158 " --> pdb=" O ARG N 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE N 159 " --> pdb=" O ALA N 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER N 160 " --> pdb=" O LEU N 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS N 161 " --> pdb=" O SER N 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP N 162 " --> pdb=" O ILE N 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY N 163 " --> pdb=" O PHE N 159 " (cutoff:3.500A) Processing helix chain 'N' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE N 178 " --> pdb=" O THR N 174 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N ASN N 179 " --> pdb=" O ASP N 175 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N PHE N 180 " --> pdb=" O ARG N 176 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N LEU N 181 " --> pdb=" O TRP N 177 " (cutoff:3.500A) Processing helix chain 'N' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL N 187 " --> pdb=" O GLU N 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG N 192 " --> pdb=" O GLU N 188 " (cutoff:3.500A) Processing helix chain 'O' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE O 19 " --> pdb=" O GLN O 15 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ASP O 20 " --> pdb=" O TRP O 16 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ASN O 21 " --> pdb=" O GLN O 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG O 22 " --> pdb=" O GLU O 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA O 23 " --> pdb=" O ILE O 19 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N ILE O 26 " --> pdb=" O ARG O 22 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N LYS O 28 " --> pdb=" O ARG O 24 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N THR O 29 " --> pdb=" O GLU O 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU O 31 " --> pdb=" O PHE O 27 " (cutoff:3.500A) Processing helix chain 'O' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN O 91 " --> pdb=" O TRP O 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU O 92 " --> pdb=" O GLU O 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU O 93 " --> pdb=" O LEU O 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG O 94 " --> pdb=" O ASP O 90 " (cutoff:3.500A) Processing helix chain 'O' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU O 105 " --> pdb=" O LEU O 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU O 106 " --> pdb=" O SER O 102 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N THR O 107 " --> pdb=" O SER O 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA O 112 " --> pdb=" O VAL O 108 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLU O 113 " --> pdb=" O ARG O 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE O 114 " --> pdb=" O LYS O 110 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N GLU O 115 " --> pdb=" O VAL O 111 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ASP O 116 " --> pdb=" O ALA O 112 " (cutoff:3.500A) Processing helix chain 'O' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU O 148 " --> pdb=" O THR O 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU O 149 " --> pdb=" O PRO O 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU O 156 " --> pdb=" O ILE O 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER O 157 " --> pdb=" O VAL O 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE O 158 " --> pdb=" O ARG O 154 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N PHE O 159 " --> pdb=" O ALA O 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER O 160 " --> pdb=" O LEU O 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS O 161 " --> pdb=" O SER O 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP O 162 " --> pdb=" O ILE O 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY O 163 " --> pdb=" O PHE O 159 " (cutoff:3.500A) Processing helix chain 'O' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE O 178 " --> pdb=" O THR O 174 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N ASN O 179 " --> pdb=" O ASP O 175 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N PHE O 180 " --> pdb=" O ARG O 176 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N LEU O 181 " --> pdb=" O TRP O 177 " (cutoff:3.500A) Processing helix chain 'O' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL O 187 " --> pdb=" O GLU O 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG O 192 " --> pdb=" O GLU O 188 " (cutoff:3.500A) Processing helix chain 'P' and resid 12 through 31 removed outlier: 3.651A pdb=" N ILE P 19 " --> pdb=" O GLN P 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP P 20 " --> pdb=" O TRP P 16 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ASN P 21 " --> pdb=" O GLN P 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG P 22 " --> pdb=" O GLU P 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA P 23 " --> pdb=" O ILE P 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE P 26 " --> pdb=" O ARG P 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS P 28 " --> pdb=" O ARG P 24 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N THR P 29 " --> pdb=" O GLU P 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU P 31 " --> pdb=" O PHE P 27 " (cutoff:3.500A) Processing helix chain 'P' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN P 91 " --> pdb=" O TRP P 87 " (cutoff:3.500A) removed outlier: 4.924A pdb=" N LEU P 92 " --> pdb=" O GLU P 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU P 93 " --> pdb=" O LEU P 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG P 94 " --> pdb=" O ASP P 90 " (cutoff:3.500A) Processing helix chain 'P' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU P 105 " --> pdb=" O LEU P 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU P 106 " --> pdb=" O SER P 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR P 107 " --> pdb=" O SER P 103 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N ALA P 112 " --> pdb=" O VAL P 108 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLU P 113 " --> pdb=" O ARG P 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE P 114 " --> pdb=" O LYS P 110 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N GLU P 115 " --> pdb=" O VAL P 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP P 116 " --> pdb=" O ALA P 112 " (cutoff:3.500A) Processing helix chain 'P' and resid 144 through 163 removed outlier: 3.693A pdb=" N LEU P 148 " --> pdb=" O THR P 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU P 149 " --> pdb=" O PRO P 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU P 156 " --> pdb=" O ILE P 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER P 157 " --> pdb=" O VAL P 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE P 158 " --> pdb=" O ARG P 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE P 159 " --> pdb=" O ALA P 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER P 160 " --> pdb=" O LEU P 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS P 161 " --> pdb=" O SER P 157 " (cutoff:3.500A) removed outlier: 4.010A pdb=" N ASP P 162 " --> pdb=" O ILE P 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY P 163 " --> pdb=" O PHE P 159 " (cutoff:3.500A) Processing helix chain 'P' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE P 178 " --> pdb=" O THR P 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN P 179 " --> pdb=" O ASP P 175 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N PHE P 180 " --> pdb=" O ARG P 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU P 181 " --> pdb=" O TRP P 177 " (cutoff:3.500A) Processing helix chain 'P' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL P 187 " --> pdb=" O GLU P 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG P 192 " --> pdb=" O GLU P 188 " (cutoff:3.500A) Processing helix chain 'Q' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE Q 19 " --> pdb=" O GLN Q 15 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ASP Q 20 " --> pdb=" O TRP Q 16 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ASN Q 21 " --> pdb=" O GLN Q 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG Q 22 " --> pdb=" O GLU Q 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA Q 23 " --> pdb=" O ILE Q 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE Q 26 " --> pdb=" O ARG Q 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS Q 28 " --> pdb=" O ARG Q 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR Q 29 " --> pdb=" O GLU Q 25 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N LEU Q 31 " --> pdb=" O PHE Q 27 " (cutoff:3.500A) Processing helix chain 'Q' and resid 85 through 95 removed outlier: 3.810A pdb=" N ASN Q 91 " --> pdb=" O TRP Q 87 " (cutoff:3.500A) removed outlier: 4.924A pdb=" N LEU Q 92 " --> pdb=" O GLU Q 88 " (cutoff:3.500A) removed outlier: 5.210A pdb=" N GLU Q 93 " --> pdb=" O LEU Q 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG Q 94 " --> pdb=" O ASP Q 90 " (cutoff:3.500A) Processing helix chain 'Q' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU Q 105 " --> pdb=" O LEU Q 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU Q 106 " --> pdb=" O SER Q 102 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N THR Q 107 " --> pdb=" O SER Q 103 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N ALA Q 112 " --> pdb=" O VAL Q 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU Q 113 " --> pdb=" O ARG Q 109 " (cutoff:3.500A) removed outlier: 3.981A pdb=" N PHE Q 114 " --> pdb=" O LYS Q 110 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N GLU Q 115 " --> pdb=" O VAL Q 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP Q 116 " --> pdb=" O ALA Q 112 " (cutoff:3.500A) Processing helix chain 'Q' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU Q 148 " --> pdb=" O THR Q 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU Q 149 " --> pdb=" O PRO Q 145 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N LEU Q 156 " --> pdb=" O ILE Q 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER Q 157 " --> pdb=" O VAL Q 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE Q 158 " --> pdb=" O ARG Q 154 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N PHE Q 159 " --> pdb=" O ALA Q 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER Q 160 " --> pdb=" O LEU Q 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS Q 161 " --> pdb=" O SER Q 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP Q 162 " --> pdb=" O ILE Q 158 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N GLY Q 163 " --> pdb=" O PHE Q 159 " (cutoff:3.500A) Processing helix chain 'Q' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE Q 178 " --> pdb=" O THR Q 174 " (cutoff:3.500A) removed outlier: 4.370A pdb=" N ASN Q 179 " --> pdb=" O ASP Q 175 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N PHE Q 180 " --> pdb=" O ARG Q 176 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N LEU Q 181 " --> pdb=" O TRP Q 177 " (cutoff:3.500A) Processing helix chain 'Q' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL Q 187 " --> pdb=" O GLU Q 183 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ARG Q 192 " --> pdb=" O GLU Q 188 " (cutoff:3.500A) Processing helix chain 'R' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE R 19 " --> pdb=" O GLN R 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP R 20 " --> pdb=" O TRP R 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN R 21 " --> pdb=" O GLN R 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG R 22 " --> pdb=" O GLU R 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA R 23 " --> pdb=" O ILE R 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE R 26 " --> pdb=" O ARG R 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS R 28 " --> pdb=" O ARG R 24 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N THR R 29 " --> pdb=" O GLU R 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU R 31 " --> pdb=" O PHE R 27 " (cutoff:3.500A) Processing helix chain 'R' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN R 91 " --> pdb=" O TRP R 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU R 92 " --> pdb=" O GLU R 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU R 93 " --> pdb=" O LEU R 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG R 94 " --> pdb=" O ASP R 90 " (cutoff:3.500A) Processing helix chain 'R' and resid 101 through 121 removed outlier: 4.497A pdb=" N GLU R 105 " --> pdb=" O LEU R 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU R 106 " --> pdb=" O SER R 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR R 107 " --> pdb=" O SER R 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA R 112 " --> pdb=" O VAL R 108 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLU R 113 " --> pdb=" O ARG R 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE R 114 " --> pdb=" O LYS R 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU R 115 " --> pdb=" O VAL R 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP R 116 " --> pdb=" O ALA R 112 " (cutoff:3.500A) Processing helix chain 'R' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU R 148 " --> pdb=" O THR R 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU R 149 " --> pdb=" O PRO R 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU R 156 " --> pdb=" O ILE R 152 " (cutoff:3.500A) removed outlier: 4.029A pdb=" N SER R 157 " --> pdb=" O VAL R 153 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N ILE R 158 " --> pdb=" O ARG R 154 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N PHE R 159 " --> pdb=" O ALA R 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER R 160 " --> pdb=" O LEU R 156 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N LYS R 161 " --> pdb=" O SER R 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP R 162 " --> pdb=" O ILE R 158 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N GLY R 163 " --> pdb=" O PHE R 159 " (cutoff:3.500A) Processing helix chain 'R' and resid 173 through 181 removed outlier: 3.775A pdb=" N ILE R 178 " --> pdb=" O THR R 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN R 179 " --> pdb=" O ASP R 175 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N PHE R 180 " --> pdb=" O ARG R 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU R 181 " --> pdb=" O TRP R 177 " (cutoff:3.500A) Processing helix chain 'R' and resid 183 through 192 removed outlier: 4.828A pdb=" N VAL R 187 " --> pdb=" O GLU R 183 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ARG R 192 " --> pdb=" O GLU R 188 " (cutoff:3.500A) Processing helix chain 'S' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE S 19 " --> pdb=" O GLN S 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP S 20 " --> pdb=" O TRP S 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN S 21 " --> pdb=" O GLN S 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG S 22 " --> pdb=" O GLU S 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA S 23 " --> pdb=" O ILE S 19 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ILE S 26 " --> pdb=" O ARG S 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS S 28 " --> pdb=" O ARG S 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR S 29 " --> pdb=" O GLU S 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU S 31 " --> pdb=" O PHE S 27 " (cutoff:3.500A) Processing helix chain 'S' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN S 91 " --> pdb=" O TRP S 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU S 92 " --> pdb=" O GLU S 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU S 93 " --> pdb=" O LEU S 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG S 94 " --> pdb=" O ASP S 90 " (cutoff:3.500A) Processing helix chain 'S' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU S 105 " --> pdb=" O LEU S 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU S 106 " --> pdb=" O SER S 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR S 107 " --> pdb=" O SER S 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA S 112 " --> pdb=" O VAL S 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU S 113 " --> pdb=" O ARG S 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE S 114 " --> pdb=" O LYS S 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU S 115 " --> pdb=" O VAL S 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP S 116 " --> pdb=" O ALA S 112 " (cutoff:3.500A) Processing helix chain 'S' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU S 148 " --> pdb=" O THR S 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU S 149 " --> pdb=" O PRO S 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU S 156 " --> pdb=" O ILE S 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER S 157 " --> pdb=" O VAL S 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE S 158 " --> pdb=" O ARG S 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE S 159 " --> pdb=" O ALA S 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER S 160 " --> pdb=" O LEU S 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS S 161 " --> pdb=" O SER S 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP S 162 " --> pdb=" O ILE S 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY S 163 " --> pdb=" O PHE S 159 " (cutoff:3.500A) Processing helix chain 'S' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE S 178 " --> pdb=" O THR S 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN S 179 " --> pdb=" O ASP S 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE S 180 " --> pdb=" O ARG S 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU S 181 " --> pdb=" O TRP S 177 " (cutoff:3.500A) Processing helix chain 'S' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL S 187 " --> pdb=" O GLU S 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG S 192 " --> pdb=" O GLU S 188 " (cutoff:3.500A) Processing helix chain 'T' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE T 19 " --> pdb=" O GLN T 15 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ASP T 20 " --> pdb=" O TRP T 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN T 21 " --> pdb=" O GLN T 17 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ARG T 22 " --> pdb=" O GLU T 18 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N ALA T 23 " --> pdb=" O ILE T 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE T 26 " --> pdb=" O ARG T 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS T 28 " --> pdb=" O ARG T 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR T 29 " --> pdb=" O GLU T 25 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N LEU T 31 " --> pdb=" O PHE T 27 " (cutoff:3.500A) Processing helix chain 'T' and resid 85 through 95 removed outlier: 3.812A pdb=" N ASN T 91 " --> pdb=" O TRP T 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU T 92 " --> pdb=" O GLU T 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU T 93 " --> pdb=" O LEU T 89 " (cutoff:3.500A) removed outlier: 4.078A pdb=" N ARG T 94 " --> pdb=" O ASP T 90 " (cutoff:3.500A) Processing helix chain 'T' and resid 101 through 121 removed outlier: 4.499A pdb=" N GLU T 105 " --> pdb=" O LEU T 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU T 106 " --> pdb=" O SER T 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR T 107 " --> pdb=" O SER T 103 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N ALA T 112 " --> pdb=" O VAL T 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU T 113 " --> pdb=" O ARG T 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE T 114 " --> pdb=" O LYS T 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU T 115 " --> pdb=" O VAL T 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP T 116 " --> pdb=" O ALA T 112 " (cutoff:3.500A) Processing helix chain 'T' and resid 144 through 163 removed outlier: 3.695A pdb=" N LEU T 148 " --> pdb=" O THR T 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU T 149 " --> pdb=" O PRO T 145 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N LEU T 156 " --> pdb=" O ILE T 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER T 157 " --> pdb=" O VAL T 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE T 158 " --> pdb=" O ARG T 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE T 159 " --> pdb=" O ALA T 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER T 160 " --> pdb=" O LEU T 156 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N LYS T 161 " --> pdb=" O SER T 157 " (cutoff:3.500A) removed outlier: 4.010A pdb=" N ASP T 162 " --> pdb=" O ILE T 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY T 163 " --> pdb=" O PHE T 159 " (cutoff:3.500A) Processing helix chain 'T' and resid 173 through 181 removed outlier: 3.775A pdb=" N ILE T 178 " --> pdb=" O THR T 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN T 179 " --> pdb=" O ASP T 175 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N PHE T 180 " --> pdb=" O ARG T 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU T 181 " --> pdb=" O TRP T 177 " (cutoff:3.500A) Processing helix chain 'T' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL T 187 " --> pdb=" O GLU T 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG T 192 " --> pdb=" O GLU T 188 " (cutoff:3.500A) Processing helix chain 'U' and resid 12 through 31 removed outlier: 3.649A pdb=" N ILE U 19 " --> pdb=" O GLN U 15 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ASP U 20 " --> pdb=" O TRP U 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN U 21 " --> pdb=" O GLN U 17 " (cutoff:3.500A) removed outlier: 4.089A pdb=" N ARG U 22 " --> pdb=" O GLU U 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA U 23 " --> pdb=" O ILE U 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE U 26 " --> pdb=" O ARG U 22 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N LYS U 28 " --> pdb=" O ARG U 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR U 29 " --> pdb=" O GLU U 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU U 31 " --> pdb=" O PHE U 27 " (cutoff:3.500A) Processing helix chain 'U' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN U 91 " --> pdb=" O TRP U 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU U 92 " --> pdb=" O GLU U 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU U 93 " --> pdb=" O LEU U 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG U 94 " --> pdb=" O ASP U 90 " (cutoff:3.500A) Processing helix chain 'U' and resid 101 through 121 removed outlier: 4.497A pdb=" N GLU U 105 " --> pdb=" O LEU U 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU U 106 " --> pdb=" O SER U 102 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N THR U 107 " --> pdb=" O SER U 103 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N ALA U 112 " --> pdb=" O VAL U 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU U 113 " --> pdb=" O ARG U 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE U 114 " --> pdb=" O LYS U 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU U 115 " --> pdb=" O VAL U 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP U 116 " --> pdb=" O ALA U 112 " (cutoff:3.500A) Processing helix chain 'U' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU U 148 " --> pdb=" O THR U 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU U 149 " --> pdb=" O PRO U 145 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N LEU U 156 " --> pdb=" O ILE U 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER U 157 " --> pdb=" O VAL U 153 " (cutoff:3.500A) removed outlier: 3.959A pdb=" N ILE U 158 " --> pdb=" O ARG U 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE U 159 " --> pdb=" O ALA U 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER U 160 " --> pdb=" O LEU U 156 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N LYS U 161 " --> pdb=" O SER U 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP U 162 " --> pdb=" O ILE U 158 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N GLY U 163 " --> pdb=" O PHE U 159 " (cutoff:3.500A) Processing helix chain 'U' and resid 173 through 181 removed outlier: 3.775A pdb=" N ILE U 178 " --> pdb=" O THR U 174 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N ASN U 179 " --> pdb=" O ASP U 175 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N PHE U 180 " --> pdb=" O ARG U 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU U 181 " --> pdb=" O TRP U 177 " (cutoff:3.500A) Processing helix chain 'U' and resid 183 through 192 removed outlier: 4.828A pdb=" N VAL U 187 " --> pdb=" O GLU U 183 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ARG U 192 " --> pdb=" O GLU U 188 " (cutoff:3.500A) Processing helix chain 'V' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE V 19 " --> pdb=" O GLN V 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP V 20 " --> pdb=" O TRP V 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN V 21 " --> pdb=" O GLN V 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG V 22 " --> pdb=" O GLU V 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA V 23 " --> pdb=" O ILE V 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE V 26 " --> pdb=" O ARG V 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS V 28 " --> pdb=" O ARG V 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR V 29 " --> pdb=" O GLU V 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU V 31 " --> pdb=" O PHE V 27 " (cutoff:3.500A) Processing helix chain 'V' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN V 91 " --> pdb=" O TRP V 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU V 92 " --> pdb=" O GLU V 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU V 93 " --> pdb=" O LEU V 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG V 94 " --> pdb=" O ASP V 90 " (cutoff:3.500A) Processing helix chain 'V' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU V 105 " --> pdb=" O LEU V 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU V 106 " --> pdb=" O SER V 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR V 107 " --> pdb=" O SER V 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA V 112 " --> pdb=" O VAL V 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU V 113 " --> pdb=" O ARG V 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE V 114 " --> pdb=" O LYS V 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU V 115 " --> pdb=" O VAL V 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP V 116 " --> pdb=" O ALA V 112 " (cutoff:3.500A) Processing helix chain 'V' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU V 148 " --> pdb=" O THR V 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU V 149 " --> pdb=" O PRO V 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU V 156 " --> pdb=" O ILE V 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER V 157 " --> pdb=" O VAL V 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE V 158 " --> pdb=" O ARG V 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE V 159 " --> pdb=" O ALA V 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER V 160 " --> pdb=" O LEU V 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS V 161 " --> pdb=" O SER V 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP V 162 " --> pdb=" O ILE V 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY V 163 " --> pdb=" O PHE V 159 " (cutoff:3.500A) Processing helix chain 'V' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE V 178 " --> pdb=" O THR V 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN V 179 " --> pdb=" O ASP V 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE V 180 " --> pdb=" O ARG V 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU V 181 " --> pdb=" O TRP V 177 " (cutoff:3.500A) Processing helix chain 'V' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL V 187 " --> pdb=" O GLU V 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG V 192 " --> pdb=" O GLU V 188 " (cutoff:3.500A) Processing helix chain 'W' and resid 12 through 31 removed outlier: 3.649A pdb=" N ILE W 19 " --> pdb=" O GLN W 15 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ASP W 20 " --> pdb=" O TRP W 16 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ASN W 21 " --> pdb=" O GLN W 17 " (cutoff:3.500A) removed outlier: 4.089A pdb=" N ARG W 22 " --> pdb=" O GLU W 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA W 23 " --> pdb=" O ILE W 19 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ILE W 26 " --> pdb=" O ARG W 22 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N LYS W 28 " --> pdb=" O ARG W 24 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N THR W 29 " --> pdb=" O GLU W 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU W 31 " --> pdb=" O PHE W 27 " (cutoff:3.500A) Processing helix chain 'W' and resid 85 through 95 removed outlier: 3.810A pdb=" N ASN W 91 " --> pdb=" O TRP W 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU W 92 " --> pdb=" O GLU W 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU W 93 " --> pdb=" O LEU W 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG W 94 " --> pdb=" O ASP W 90 " (cutoff:3.500A) Processing helix chain 'W' and resid 101 through 121 removed outlier: 4.497A pdb=" N GLU W 105 " --> pdb=" O LEU W 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU W 106 " --> pdb=" O SER W 102 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N THR W 107 " --> pdb=" O SER W 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA W 112 " --> pdb=" O VAL W 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU W 113 " --> pdb=" O ARG W 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE W 114 " --> pdb=" O LYS W 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU W 115 " --> pdb=" O VAL W 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP W 116 " --> pdb=" O ALA W 112 " (cutoff:3.500A) Processing helix chain 'W' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU W 148 " --> pdb=" O THR W 144 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N LEU W 149 " --> pdb=" O PRO W 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU W 156 " --> pdb=" O ILE W 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER W 157 " --> pdb=" O VAL W 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE W 158 " --> pdb=" O ARG W 154 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N PHE W 159 " --> pdb=" O ALA W 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER W 160 " --> pdb=" O LEU W 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS W 161 " --> pdb=" O SER W 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP W 162 " --> pdb=" O ILE W 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY W 163 " --> pdb=" O PHE W 159 " (cutoff:3.500A) Processing helix chain 'W' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE W 178 " --> pdb=" O THR W 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN W 179 " --> pdb=" O ASP W 175 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N PHE W 180 " --> pdb=" O ARG W 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU W 181 " --> pdb=" O TRP W 177 " (cutoff:3.500A) Processing helix chain 'W' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL W 187 " --> pdb=" O GLU W 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG W 192 " --> pdb=" O GLU W 188 " (cutoff:3.500A) Processing helix chain 'X' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE X 19 " --> pdb=" O GLN X 15 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ASP X 20 " --> pdb=" O TRP X 16 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ASN X 21 " --> pdb=" O GLN X 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG X 22 " --> pdb=" O GLU X 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA X 23 " --> pdb=" O ILE X 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE X 26 " --> pdb=" O ARG X 22 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N LYS X 28 " --> pdb=" O ARG X 24 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N THR X 29 " --> pdb=" O GLU X 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU X 31 " --> pdb=" O PHE X 27 " (cutoff:3.500A) Processing helix chain 'X' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN X 91 " --> pdb=" O TRP X 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU X 92 " --> pdb=" O GLU X 88 " (cutoff:3.500A) removed outlier: 5.210A pdb=" N GLU X 93 " --> pdb=" O LEU X 89 " (cutoff:3.500A) removed outlier: 4.076A pdb=" N ARG X 94 " --> pdb=" O ASP X 90 " (cutoff:3.500A) Processing helix chain 'X' and resid 101 through 121 removed outlier: 4.497A pdb=" N GLU X 105 " --> pdb=" O LEU X 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU X 106 " --> pdb=" O SER X 102 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N THR X 107 " --> pdb=" O SER X 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA X 112 " --> pdb=" O VAL X 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU X 113 " --> pdb=" O ARG X 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE X 114 " --> pdb=" O LYS X 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU X 115 " --> pdb=" O VAL X 111 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ASP X 116 " --> pdb=" O ALA X 112 " (cutoff:3.500A) Processing helix chain 'X' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU X 148 " --> pdb=" O THR X 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU X 149 " --> pdb=" O PRO X 145 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N LEU X 156 " --> pdb=" O ILE X 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER X 157 " --> pdb=" O VAL X 153 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N ILE X 158 " --> pdb=" O ARG X 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE X 159 " --> pdb=" O ALA X 155 " (cutoff:3.500A) removed outlier: 3.821A pdb=" N SER X 160 " --> pdb=" O LEU X 156 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N LYS X 161 " --> pdb=" O SER X 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP X 162 " --> pdb=" O ILE X 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY X 163 " --> pdb=" O PHE X 159 " (cutoff:3.500A) Processing helix chain 'X' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE X 178 " --> pdb=" O THR X 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN X 179 " --> pdb=" O ASP X 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE X 180 " --> pdb=" O ARG X 176 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N LEU X 181 " --> pdb=" O TRP X 177 " (cutoff:3.500A) Processing helix chain 'X' and resid 183 through 192 removed outlier: 4.826A pdb=" N VAL X 187 " --> pdb=" O GLU X 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG X 192 " --> pdb=" O GLU X 188 " (cutoff:3.500A) Processing helix chain 'Y' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE Y 19 " --> pdb=" O GLN Y 15 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ASP Y 20 " --> pdb=" O TRP Y 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN Y 21 " --> pdb=" O GLN Y 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG Y 22 " --> pdb=" O GLU Y 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA Y 23 " --> pdb=" O ILE Y 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE Y 26 " --> pdb=" O ARG Y 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS Y 28 " --> pdb=" O ARG Y 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR Y 29 " --> pdb=" O GLU Y 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU Y 31 " --> pdb=" O PHE Y 27 " (cutoff:3.500A) Processing helix chain 'Y' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN Y 91 " --> pdb=" O TRP Y 87 " (cutoff:3.500A) removed outlier: 4.924A pdb=" N LEU Y 92 " --> pdb=" O GLU Y 88 " (cutoff:3.500A) removed outlier: 5.210A pdb=" N GLU Y 93 " --> pdb=" O LEU Y 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG Y 94 " --> pdb=" O ASP Y 90 " (cutoff:3.500A) Processing helix chain 'Y' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU Y 105 " --> pdb=" O LEU Y 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU Y 106 " --> pdb=" O SER Y 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR Y 107 " --> pdb=" O SER Y 103 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N ALA Y 112 " --> pdb=" O VAL Y 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU Y 113 " --> pdb=" O ARG Y 109 " (cutoff:3.500A) removed outlier: 3.981A pdb=" N PHE Y 114 " --> pdb=" O LYS Y 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU Y 115 " --> pdb=" O VAL Y 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP Y 116 " --> pdb=" O ALA Y 112 " (cutoff:3.500A) Processing helix chain 'Y' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU Y 148 " --> pdb=" O THR Y 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU Y 149 " --> pdb=" O PRO Y 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU Y 156 " --> pdb=" O ILE Y 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER Y 157 " --> pdb=" O VAL Y 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE Y 158 " --> pdb=" O ARG Y 154 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N PHE Y 159 " --> pdb=" O ALA Y 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER Y 160 " --> pdb=" O LEU Y 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS Y 161 " --> pdb=" O SER Y 157 " (cutoff:3.500A) removed outlier: 4.010A pdb=" N ASP Y 162 " --> pdb=" O ILE Y 158 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N GLY Y 163 " --> pdb=" O PHE Y 159 " (cutoff:3.500A) Processing helix chain 'Y' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE Y 178 " --> pdb=" O THR Y 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN Y 179 " --> pdb=" O ASP Y 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE Y 180 " --> pdb=" O ARG Y 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU Y 181 " --> pdb=" O TRP Y 177 " (cutoff:3.500A) Processing helix chain 'Y' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL Y 187 " --> pdb=" O GLU Y 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG Y 192 " --> pdb=" O GLU Y 188 " (cutoff:3.500A) Processing helix chain 'Z' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE Z 19 " --> pdb=" O GLN Z 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP Z 20 " --> pdb=" O TRP Z 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN Z 21 " --> pdb=" O GLN Z 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG Z 22 " --> pdb=" O GLU Z 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA Z 23 " --> pdb=" O ILE Z 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE Z 26 " --> pdb=" O ARG Z 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS Z 28 " --> pdb=" O ARG Z 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR Z 29 " --> pdb=" O GLU Z 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU Z 31 " --> pdb=" O PHE Z 27 " (cutoff:3.500A) Processing helix chain 'Z' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN Z 91 " --> pdb=" O TRP Z 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU Z 92 " --> pdb=" O GLU Z 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU Z 93 " --> pdb=" O LEU Z 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG Z 94 " --> pdb=" O ASP Z 90 " (cutoff:3.500A) Processing helix chain 'Z' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU Z 105 " --> pdb=" O LEU Z 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU Z 106 " --> pdb=" O SER Z 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR Z 107 " --> pdb=" O SER Z 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA Z 112 " --> pdb=" O VAL Z 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU Z 113 " --> pdb=" O ARG Z 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE Z 114 " --> pdb=" O LYS Z 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU Z 115 " --> pdb=" O VAL Z 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP Z 116 " --> pdb=" O ALA Z 112 " (cutoff:3.500A) Processing helix chain 'Z' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU Z 148 " --> pdb=" O THR Z 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU Z 149 " --> pdb=" O PRO Z 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU Z 156 " --> pdb=" O ILE Z 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER Z 157 " --> pdb=" O VAL Z 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE Z 158 " --> pdb=" O ARG Z 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE Z 159 " --> pdb=" O ALA Z 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER Z 160 " --> pdb=" O LEU Z 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS Z 161 " --> pdb=" O SER Z 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP Z 162 " --> pdb=" O ILE Z 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY Z 163 " --> pdb=" O PHE Z 159 " (cutoff:3.500A) Processing helix chain 'Z' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE Z 178 " --> pdb=" O THR Z 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN Z 179 " --> pdb=" O ASP Z 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE Z 180 " --> pdb=" O ARG Z 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU Z 181 " --> pdb=" O TRP Z 177 " (cutoff:3.500A) Processing helix chain 'Z' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL Z 187 " --> pdb=" O GLU Z 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG Z 192 " --> pdb=" O GLU Z 188 " (cutoff:3.500A) Processing helix chain '0' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE 0 19 " --> pdb=" O GLN 0 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP 0 20 " --> pdb=" O TRP 0 16 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ASN 0 21 " --> pdb=" O GLN 0 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG 0 22 " --> pdb=" O GLU 0 18 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N ALA 0 23 " --> pdb=" O ILE 0 19 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ILE 0 26 " --> pdb=" O ARG 0 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS 0 28 " --> pdb=" O ARG 0 24 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N THR 0 29 " --> pdb=" O GLU 0 25 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N LEU 0 31 " --> pdb=" O PHE 0 27 " (cutoff:3.500A) Processing helix chain '0' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN 0 91 " --> pdb=" O TRP 0 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU 0 92 " --> pdb=" O GLU 0 88 " (cutoff:3.500A) removed outlier: 5.210A pdb=" N GLU 0 93 " --> pdb=" O LEU 0 89 " (cutoff:3.500A) removed outlier: 4.076A pdb=" N ARG 0 94 " --> pdb=" O ASP 0 90 " (cutoff:3.500A) Processing helix chain '0' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU 0 105 " --> pdb=" O LEU 0 101 " (cutoff:3.500A) removed outlier: 3.963A pdb=" N GLU 0 106 " --> pdb=" O SER 0 102 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N THR 0 107 " --> pdb=" O SER 0 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA 0 112 " --> pdb=" O VAL 0 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU 0 113 " --> pdb=" O ARG 0 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE 0 114 " --> pdb=" O LYS 0 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU 0 115 " --> pdb=" O VAL 0 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP 0 116 " --> pdb=" O ALA 0 112 " (cutoff:3.500A) Processing helix chain '0' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU 0 148 " --> pdb=" O THR 0 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU 0 149 " --> pdb=" O PRO 0 145 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N LEU 0 156 " --> pdb=" O ILE 0 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER 0 157 " --> pdb=" O VAL 0 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE 0 158 " --> pdb=" O ARG 0 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE 0 159 " --> pdb=" O ALA 0 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER 0 160 " --> pdb=" O LEU 0 156 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N LYS 0 161 " --> pdb=" O SER 0 157 " (cutoff:3.500A) removed outlier: 4.010A pdb=" N ASP 0 162 " --> pdb=" O ILE 0 158 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N GLY 0 163 " --> pdb=" O PHE 0 159 " (cutoff:3.500A) Processing helix chain '0' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE 0 178 " --> pdb=" O THR 0 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN 0 179 " --> pdb=" O ASP 0 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE 0 180 " --> pdb=" O ARG 0 176 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N LEU 0 181 " --> pdb=" O TRP 0 177 " (cutoff:3.500A) Processing helix chain '0' and resid 183 through 192 removed outlier: 4.826A pdb=" N VAL 0 187 " --> pdb=" O GLU 0 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG 0 192 " --> pdb=" O GLU 0 188 " (cutoff:3.500A) Processing helix chain '1' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE 1 19 " --> pdb=" O GLN 1 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP 1 20 " --> pdb=" O TRP 1 16 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ASN 1 21 " --> pdb=" O GLN 1 17 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ARG 1 22 " --> pdb=" O GLU 1 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA 1 23 " --> pdb=" O ILE 1 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE 1 26 " --> pdb=" O ARG 1 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS 1 28 " --> pdb=" O ARG 1 24 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N THR 1 29 " --> pdb=" O GLU 1 25 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N LEU 1 31 " --> pdb=" O PHE 1 27 " (cutoff:3.500A) Processing helix chain '1' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN 1 91 " --> pdb=" O TRP 1 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU 1 92 " --> pdb=" O GLU 1 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU 1 93 " --> pdb=" O LEU 1 89 " (cutoff:3.500A) removed outlier: 4.076A pdb=" N ARG 1 94 " --> pdb=" O ASP 1 90 " (cutoff:3.500A) Processing helix chain '1' and resid 101 through 121 removed outlier: 4.497A pdb=" N GLU 1 105 " --> pdb=" O LEU 1 101 " (cutoff:3.500A) removed outlier: 3.961A pdb=" N GLU 1 106 " --> pdb=" O SER 1 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR 1 107 " --> pdb=" O SER 1 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA 1 112 " --> pdb=" O VAL 1 108 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLU 1 113 " --> pdb=" O ARG 1 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE 1 114 " --> pdb=" O LYS 1 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU 1 115 " --> pdb=" O VAL 1 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP 1 116 " --> pdb=" O ALA 1 112 " (cutoff:3.500A) Processing helix chain '1' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU 1 148 " --> pdb=" O THR 1 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU 1 149 " --> pdb=" O PRO 1 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU 1 156 " --> pdb=" O ILE 1 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER 1 157 " --> pdb=" O VAL 1 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE 1 158 " --> pdb=" O ARG 1 154 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N PHE 1 159 " --> pdb=" O ALA 1 155 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N SER 1 160 " --> pdb=" O LEU 1 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS 1 161 " --> pdb=" O SER 1 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP 1 162 " --> pdb=" O ILE 1 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY 1 163 " --> pdb=" O PHE 1 159 " (cutoff:3.500A) Processing helix chain '1' and resid 173 through 181 removed outlier: 3.775A pdb=" N ILE 1 178 " --> pdb=" O THR 1 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN 1 179 " --> pdb=" O ASP 1 175 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N PHE 1 180 " --> pdb=" O ARG 1 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU 1 181 " --> pdb=" O TRP 1 177 " (cutoff:3.500A) Processing helix chain '1' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL 1 187 " --> pdb=" O GLU 1 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG 1 192 " --> pdb=" O GLU 1 188 " (cutoff:3.500A) Processing helix chain '2' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE 2 19 " --> pdb=" O GLN 2 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP 2 20 " --> pdb=" O TRP 2 16 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ASN 2 21 " --> pdb=" O GLN 2 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG 2 22 " --> pdb=" O GLU 2 18 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N ALA 2 23 " --> pdb=" O ILE 2 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE 2 26 " --> pdb=" O ARG 2 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS 2 28 " --> pdb=" O ARG 2 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR 2 29 " --> pdb=" O GLU 2 25 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N LEU 2 31 " --> pdb=" O PHE 2 27 " (cutoff:3.500A) Processing helix chain '2' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN 2 91 " --> pdb=" O TRP 2 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU 2 92 " --> pdb=" O GLU 2 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU 2 93 " --> pdb=" O LEU 2 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG 2 94 " --> pdb=" O ASP 2 90 " (cutoff:3.500A) Processing helix chain '2' and resid 101 through 121 removed outlier: 4.497A pdb=" N GLU 2 105 " --> pdb=" O LEU 2 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU 2 106 " --> pdb=" O SER 2 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR 2 107 " --> pdb=" O SER 2 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA 2 112 " --> pdb=" O VAL 2 108 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLU 2 113 " --> pdb=" O ARG 2 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE 2 114 " --> pdb=" O LYS 2 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU 2 115 " --> pdb=" O VAL 2 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP 2 116 " --> pdb=" O ALA 2 112 " (cutoff:3.500A) Processing helix chain '2' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU 2 148 " --> pdb=" O THR 2 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU 2 149 " --> pdb=" O PRO 2 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU 2 156 " --> pdb=" O ILE 2 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER 2 157 " --> pdb=" O VAL 2 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE 2 158 " --> pdb=" O ARG 2 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE 2 159 " --> pdb=" O ALA 2 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER 2 160 " --> pdb=" O LEU 2 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS 2 161 " --> pdb=" O SER 2 157 " (cutoff:3.500A) removed outlier: 4.008A pdb=" N ASP 2 162 " --> pdb=" O ILE 2 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY 2 163 " --> pdb=" O PHE 2 159 " (cutoff:3.500A) Processing helix chain '2' and resid 173 through 181 removed outlier: 3.775A pdb=" N ILE 2 178 " --> pdb=" O THR 2 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN 2 179 " --> pdb=" O ASP 2 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE 2 180 " --> pdb=" O ARG 2 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU 2 181 " --> pdb=" O TRP 2 177 " (cutoff:3.500A) Processing helix chain '2' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL 2 187 " --> pdb=" O GLU 2 183 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ARG 2 192 " --> pdb=" O GLU 2 188 " (cutoff:3.500A) Processing helix chain '3' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE 3 19 " --> pdb=" O GLN 3 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP 3 20 " --> pdb=" O TRP 3 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN 3 21 " --> pdb=" O GLN 3 17 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ARG 3 22 " --> pdb=" O GLU 3 18 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N ALA 3 23 " --> pdb=" O ILE 3 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE 3 26 " --> pdb=" O ARG 3 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS 3 28 " --> pdb=" O ARG 3 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR 3 29 " --> pdb=" O GLU 3 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU 3 31 " --> pdb=" O PHE 3 27 " (cutoff:3.500A) Processing helix chain '3' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN 3 91 " --> pdb=" O TRP 3 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU 3 92 " --> pdb=" O GLU 3 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU 3 93 " --> pdb=" O LEU 3 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG 3 94 " --> pdb=" O ASP 3 90 " (cutoff:3.500A) Processing helix chain '3' and resid 101 through 121 removed outlier: 4.497A pdb=" N GLU 3 105 " --> pdb=" O LEU 3 101 " (cutoff:3.500A) removed outlier: 3.961A pdb=" N GLU 3 106 " --> pdb=" O SER 3 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR 3 107 " --> pdb=" O SER 3 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA 3 112 " --> pdb=" O VAL 3 108 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLU 3 113 " --> pdb=" O ARG 3 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE 3 114 " --> pdb=" O LYS 3 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU 3 115 " --> pdb=" O VAL 3 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP 3 116 " --> pdb=" O ALA 3 112 " (cutoff:3.500A) Processing helix chain '3' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU 3 148 " --> pdb=" O THR 3 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU 3 149 " --> pdb=" O PRO 3 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU 3 156 " --> pdb=" O ILE 3 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER 3 157 " --> pdb=" O VAL 3 153 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N ILE 3 158 " --> pdb=" O ARG 3 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE 3 159 " --> pdb=" O ALA 3 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER 3 160 " --> pdb=" O LEU 3 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS 3 161 " --> pdb=" O SER 3 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP 3 162 " --> pdb=" O ILE 3 158 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N GLY 3 163 " --> pdb=" O PHE 3 159 " (cutoff:3.500A) Processing helix chain '3' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE 3 178 " --> pdb=" O THR 3 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN 3 179 " --> pdb=" O ASP 3 175 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N PHE 3 180 " --> pdb=" O ARG 3 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU 3 181 " --> pdb=" O TRP 3 177 " (cutoff:3.500A) Processing helix chain '3' and resid 183 through 192 removed outlier: 4.826A pdb=" N VAL 3 187 " --> pdb=" O GLU 3 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG 3 192 " --> pdb=" O GLU 3 188 " (cutoff:3.500A) Processing helix chain '4' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE 4 19 " --> pdb=" O GLN 4 15 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ASP 4 20 " --> pdb=" O TRP 4 16 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ASN 4 21 " --> pdb=" O GLN 4 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG 4 22 " --> pdb=" O GLU 4 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA 4 23 " --> pdb=" O ILE 4 19 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N ILE 4 26 " --> pdb=" O ARG 4 22 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N LYS 4 28 " --> pdb=" O ARG 4 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR 4 29 " --> pdb=" O GLU 4 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU 4 31 " --> pdb=" O PHE 4 27 " (cutoff:3.500A) Processing helix chain '4' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN 4 91 " --> pdb=" O TRP 4 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU 4 92 " --> pdb=" O GLU 4 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU 4 93 " --> pdb=" O LEU 4 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG 4 94 " --> pdb=" O ASP 4 90 " (cutoff:3.500A) Processing helix chain '4' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU 4 105 " --> pdb=" O LEU 4 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU 4 106 " --> pdb=" O SER 4 102 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N THR 4 107 " --> pdb=" O SER 4 103 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N ALA 4 112 " --> pdb=" O VAL 4 108 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLU 4 113 " --> pdb=" O ARG 4 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE 4 114 " --> pdb=" O LYS 4 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU 4 115 " --> pdb=" O VAL 4 111 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ASP 4 116 " --> pdb=" O ALA 4 112 " (cutoff:3.500A) Processing helix chain '4' and resid 144 through 163 removed outlier: 3.693A pdb=" N LEU 4 148 " --> pdb=" O THR 4 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU 4 149 " --> pdb=" O PRO 4 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU 4 156 " --> pdb=" O ILE 4 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER 4 157 " --> pdb=" O VAL 4 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE 4 158 " --> pdb=" O ARG 4 154 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N PHE 4 159 " --> pdb=" O ALA 4 155 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N SER 4 160 " --> pdb=" O LEU 4 156 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N LYS 4 161 " --> pdb=" O SER 4 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP 4 162 " --> pdb=" O ILE 4 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY 4 163 " --> pdb=" O PHE 4 159 " (cutoff:3.500A) Processing helix chain '4' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE 4 178 " --> pdb=" O THR 4 174 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N ASN 4 179 " --> pdb=" O ASP 4 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE 4 180 " --> pdb=" O ARG 4 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU 4 181 " --> pdb=" O TRP 4 177 " (cutoff:3.500A) Processing helix chain '4' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL 4 187 " --> pdb=" O GLU 4 183 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N ARG 4 192 " --> pdb=" O GLU 4 188 " (cutoff:3.500A) Processing helix chain '5' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE 5 19 " --> pdb=" O GLN 5 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP 5 20 " --> pdb=" O TRP 5 16 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ASN 5 21 " --> pdb=" O GLN 5 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG 5 22 " --> pdb=" O GLU 5 18 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N ALA 5 23 " --> pdb=" O ILE 5 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE 5 26 " --> pdb=" O ARG 5 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS 5 28 " --> pdb=" O ARG 5 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR 5 29 " --> pdb=" O GLU 5 25 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N LEU 5 31 " --> pdb=" O PHE 5 27 " (cutoff:3.500A) Processing helix chain '5' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN 5 91 " --> pdb=" O TRP 5 87 " (cutoff:3.500A) removed outlier: 4.924A pdb=" N LEU 5 92 " --> pdb=" O GLU 5 88 " (cutoff:3.500A) removed outlier: 5.210A pdb=" N GLU 5 93 " --> pdb=" O LEU 5 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG 5 94 " --> pdb=" O ASP 5 90 " (cutoff:3.500A) Processing helix chain '5' and resid 101 through 121 removed outlier: 4.497A pdb=" N GLU 5 105 " --> pdb=" O LEU 5 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU 5 106 " --> pdb=" O SER 5 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR 5 107 " --> pdb=" O SER 5 103 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N ALA 5 112 " --> pdb=" O VAL 5 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU 5 113 " --> pdb=" O ARG 5 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE 5 114 " --> pdb=" O LYS 5 110 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N GLU 5 115 " --> pdb=" O VAL 5 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP 5 116 " --> pdb=" O ALA 5 112 " (cutoff:3.500A) Processing helix chain '5' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU 5 148 " --> pdb=" O THR 5 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU 5 149 " --> pdb=" O PRO 5 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU 5 156 " --> pdb=" O ILE 5 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER 5 157 " --> pdb=" O VAL 5 153 " (cutoff:3.500A) removed outlier: 3.959A pdb=" N ILE 5 158 " --> pdb=" O ARG 5 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE 5 159 " --> pdb=" O ALA 5 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER 5 160 " --> pdb=" O LEU 5 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS 5 161 " --> pdb=" O SER 5 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP 5 162 " --> pdb=" O ILE 5 158 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N GLY 5 163 " --> pdb=" O PHE 5 159 " (cutoff:3.500A) Processing helix chain '5' and resid 173 through 181 removed outlier: 3.775A pdb=" N ILE 5 178 " --> pdb=" O THR 5 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN 5 179 " --> pdb=" O ASP 5 175 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N PHE 5 180 " --> pdb=" O ARG 5 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU 5 181 " --> pdb=" O TRP 5 177 " (cutoff:3.500A) Processing helix chain '5' and resid 183 through 192 removed outlier: 4.826A pdb=" N VAL 5 187 " --> pdb=" O GLU 5 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG 5 192 " --> pdb=" O GLU 5 188 " (cutoff:3.500A) Processing helix chain '6' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE 6 19 " --> pdb=" O GLN 6 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP 6 20 " --> pdb=" O TRP 6 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN 6 21 " --> pdb=" O GLN 6 17 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ARG 6 22 " --> pdb=" O GLU 6 18 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N ALA 6 23 " --> pdb=" O ILE 6 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE 6 26 " --> pdb=" O ARG 6 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS 6 28 " --> pdb=" O ARG 6 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR 6 29 " --> pdb=" O GLU 6 25 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N LEU 6 31 " --> pdb=" O PHE 6 27 " (cutoff:3.500A) Processing helix chain '6' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN 6 91 " --> pdb=" O TRP 6 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU 6 92 " --> pdb=" O GLU 6 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU 6 93 " --> pdb=" O LEU 6 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG 6 94 " --> pdb=" O ASP 6 90 " (cutoff:3.500A) Processing helix chain '6' and resid 101 through 121 removed outlier: 4.497A pdb=" N GLU 6 105 " --> pdb=" O LEU 6 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU 6 106 " --> pdb=" O SER 6 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR 6 107 " --> pdb=" O SER 6 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA 6 112 " --> pdb=" O VAL 6 108 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLU 6 113 " --> pdb=" O ARG 6 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE 6 114 " --> pdb=" O LYS 6 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU 6 115 " --> pdb=" O VAL 6 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP 6 116 " --> pdb=" O ALA 6 112 " (cutoff:3.500A) Processing helix chain '6' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU 6 148 " --> pdb=" O THR 6 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU 6 149 " --> pdb=" O PRO 6 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU 6 156 " --> pdb=" O ILE 6 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER 6 157 " --> pdb=" O VAL 6 153 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N ILE 6 158 " --> pdb=" O ARG 6 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE 6 159 " --> pdb=" O ALA 6 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER 6 160 " --> pdb=" O LEU 6 156 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N LYS 6 161 " --> pdb=" O SER 6 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP 6 162 " --> pdb=" O ILE 6 158 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N GLY 6 163 " --> pdb=" O PHE 6 159 " (cutoff:3.500A) Processing helix chain '6' and resid 173 through 181 removed outlier: 3.775A pdb=" N ILE 6 178 " --> pdb=" O THR 6 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN 6 179 " --> pdb=" O ASP 6 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE 6 180 " --> pdb=" O ARG 6 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU 6 181 " --> pdb=" O TRP 6 177 " (cutoff:3.500A) Processing helix chain '6' and resid 183 through 192 removed outlier: 4.826A pdb=" N VAL 6 187 " --> pdb=" O GLU 6 183 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ARG 6 192 " --> pdb=" O GLU 6 188 " (cutoff:3.500A) Processing helix chain '7' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE 7 19 " --> pdb=" O GLN 7 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP 7 20 " --> pdb=" O TRP 7 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN 7 21 " --> pdb=" O GLN 7 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG 7 22 " --> pdb=" O GLU 7 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA 7 23 " --> pdb=" O ILE 7 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE 7 26 " --> pdb=" O ARG 7 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS 7 28 " --> pdb=" O ARG 7 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR 7 29 " --> pdb=" O GLU 7 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU 7 31 " --> pdb=" O PHE 7 27 " (cutoff:3.500A) Processing helix chain '7' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN 7 91 " --> pdb=" O TRP 7 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU 7 92 " --> pdb=" O GLU 7 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU 7 93 " --> pdb=" O LEU 7 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG 7 94 " --> pdb=" O ASP 7 90 " (cutoff:3.500A) Processing helix chain '7' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU 7 105 " --> pdb=" O LEU 7 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU 7 106 " --> pdb=" O SER 7 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR 7 107 " --> pdb=" O SER 7 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA 7 112 " --> pdb=" O VAL 7 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU 7 113 " --> pdb=" O ARG 7 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE 7 114 " --> pdb=" O LYS 7 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU 7 115 " --> pdb=" O VAL 7 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP 7 116 " --> pdb=" O ALA 7 112 " (cutoff:3.500A) Processing helix chain '7' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU 7 148 " --> pdb=" O THR 7 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU 7 149 " --> pdb=" O PRO 7 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU 7 156 " --> pdb=" O ILE 7 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER 7 157 " --> pdb=" O VAL 7 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE 7 158 " --> pdb=" O ARG 7 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE 7 159 " --> pdb=" O ALA 7 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER 7 160 " --> pdb=" O LEU 7 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS 7 161 " --> pdb=" O SER 7 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP 7 162 " --> pdb=" O ILE 7 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY 7 163 " --> pdb=" O PHE 7 159 " (cutoff:3.500A) Processing helix chain '7' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE 7 178 " --> pdb=" O THR 7 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN 7 179 " --> pdb=" O ASP 7 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE 7 180 " --> pdb=" O ARG 7 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU 7 181 " --> pdb=" O TRP 7 177 " (cutoff:3.500A) Processing helix chain '7' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL 7 187 " --> pdb=" O GLU 7 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG 7 192 " --> pdb=" O GLU 7 188 " (cutoff:3.500A) Processing helix chain '8' and resid 12 through 31 removed outlier: 3.649A pdb=" N ILE 8 19 " --> pdb=" O GLN 8 15 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ASP 8 20 " --> pdb=" O TRP 8 16 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ASN 8 21 " --> pdb=" O GLN 8 17 " (cutoff:3.500A) removed outlier: 4.089A pdb=" N ARG 8 22 " --> pdb=" O GLU 8 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA 8 23 " --> pdb=" O ILE 8 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE 8 26 " --> pdb=" O ARG 8 22 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N LYS 8 28 " --> pdb=" O ARG 8 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR 8 29 " --> pdb=" O GLU 8 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU 8 31 " --> pdb=" O PHE 8 27 " (cutoff:3.500A) Processing helix chain '8' and resid 85 through 95 removed outlier: 3.810A pdb=" N ASN 8 91 " --> pdb=" O TRP 8 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU 8 92 " --> pdb=" O GLU 8 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU 8 93 " --> pdb=" O LEU 8 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG 8 94 " --> pdb=" O ASP 8 90 " (cutoff:3.500A) Processing helix chain '8' and resid 101 through 121 removed outlier: 4.497A pdb=" N GLU 8 105 " --> pdb=" O LEU 8 101 " (cutoff:3.500A) removed outlier: 3.963A pdb=" N GLU 8 106 " --> pdb=" O SER 8 102 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N THR 8 107 " --> pdb=" O SER 8 103 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N ALA 8 112 " --> pdb=" O VAL 8 108 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLU 8 113 " --> pdb=" O ARG 8 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE 8 114 " --> pdb=" O LYS 8 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU 8 115 " --> pdb=" O VAL 8 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP 8 116 " --> pdb=" O ALA 8 112 " (cutoff:3.500A) Processing helix chain '8' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU 8 148 " --> pdb=" O THR 8 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU 8 149 " --> pdb=" O PRO 8 145 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N LEU 8 156 " --> pdb=" O ILE 8 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER 8 157 " --> pdb=" O VAL 8 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE 8 158 " --> pdb=" O ARG 8 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE 8 159 " --> pdb=" O ALA 8 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER 8 160 " --> pdb=" O LEU 8 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS 8 161 " --> pdb=" O SER 8 157 " (cutoff:3.500A) removed outlier: 4.010A pdb=" N ASP 8 162 " --> pdb=" O ILE 8 158 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N GLY 8 163 " --> pdb=" O PHE 8 159 " (cutoff:3.500A) Processing helix chain '8' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE 8 178 " --> pdb=" O THR 8 174 " (cutoff:3.500A) removed outlier: 4.370A pdb=" N ASN 8 179 " --> pdb=" O ASP 8 175 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N PHE 8 180 " --> pdb=" O ARG 8 176 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N LEU 8 181 " --> pdb=" O TRP 8 177 " (cutoff:3.500A) Processing helix chain '8' and resid 183 through 192 removed outlier: 4.826A pdb=" N VAL 8 187 " --> pdb=" O GLU 8 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG 8 192 " --> pdb=" O GLU 8 188 " (cutoff:3.500A) Processing helix chain '9' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE 9 19 " --> pdb=" O GLN 9 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP 9 20 " --> pdb=" O TRP 9 16 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ASN 9 21 " --> pdb=" O GLN 9 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG 9 22 " --> pdb=" O GLU 9 18 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N ALA 9 23 " --> pdb=" O ILE 9 19 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ILE 9 26 " --> pdb=" O ARG 9 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS 9 28 " --> pdb=" O ARG 9 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR 9 29 " --> pdb=" O GLU 9 25 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N LEU 9 31 " --> pdb=" O PHE 9 27 " (cutoff:3.500A) Processing helix chain '9' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN 9 91 " --> pdb=" O TRP 9 87 " (cutoff:3.500A) removed outlier: 4.924A pdb=" N LEU 9 92 " --> pdb=" O GLU 9 88 " (cutoff:3.500A) removed outlier: 5.210A pdb=" N GLU 9 93 " --> pdb=" O LEU 9 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG 9 94 " --> pdb=" O ASP 9 90 " (cutoff:3.500A) Processing helix chain '9' and resid 101 through 121 removed outlier: 4.497A pdb=" N GLU 9 105 " --> pdb=" O LEU 9 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU 9 106 " --> pdb=" O SER 9 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR 9 107 " --> pdb=" O SER 9 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA 9 112 " --> pdb=" O VAL 9 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU 9 113 " --> pdb=" O ARG 9 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE 9 114 " --> pdb=" O LYS 9 110 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N GLU 9 115 " --> pdb=" O VAL 9 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP 9 116 " --> pdb=" O ALA 9 112 " (cutoff:3.500A) Processing helix chain '9' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU 9 148 " --> pdb=" O THR 9 144 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N LEU 9 149 " --> pdb=" O PRO 9 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU 9 156 " --> pdb=" O ILE 9 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER 9 157 " --> pdb=" O VAL 9 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE 9 158 " --> pdb=" O ARG 9 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE 9 159 " --> pdb=" O ALA 9 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER 9 160 " --> pdb=" O LEU 9 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS 9 161 " --> pdb=" O SER 9 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP 9 162 " --> pdb=" O ILE 9 158 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N GLY 9 163 " --> pdb=" O PHE 9 159 " (cutoff:3.500A) Processing helix chain '9' and resid 173 through 181 removed outlier: 3.775A pdb=" N ILE 9 178 " --> pdb=" O THR 9 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN 9 179 " --> pdb=" O ASP 9 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE 9 180 " --> pdb=" O ARG 9 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU 9 181 " --> pdb=" O TRP 9 177 " (cutoff:3.500A) Processing helix chain '9' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL 9 187 " --> pdb=" O GLU 9 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG 9 192 " --> pdb=" O GLU 9 188 " (cutoff:3.500A) Processing helix chain 'a' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE a 19 " --> pdb=" O GLN a 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP a 20 " --> pdb=" O TRP a 16 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ASN a 21 " --> pdb=" O GLN a 17 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ARG a 22 " --> pdb=" O GLU a 18 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N ALA a 23 " --> pdb=" O ILE a 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE a 26 " --> pdb=" O ARG a 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS a 28 " --> pdb=" O ARG a 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR a 29 " --> pdb=" O GLU a 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU a 31 " --> pdb=" O PHE a 27 " (cutoff:3.500A) Processing helix chain 'a' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN a 91 " --> pdb=" O TRP a 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU a 92 " --> pdb=" O GLU a 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU a 93 " --> pdb=" O LEU a 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG a 94 " --> pdb=" O ASP a 90 " (cutoff:3.500A) Processing helix chain 'a' and resid 101 through 121 removed outlier: 4.497A pdb=" N GLU a 105 " --> pdb=" O LEU a 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU a 106 " --> pdb=" O SER a 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR a 107 " --> pdb=" O SER a 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA a 112 " --> pdb=" O VAL a 108 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLU a 113 " --> pdb=" O ARG a 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE a 114 " --> pdb=" O LYS a 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU a 115 " --> pdb=" O VAL a 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP a 116 " --> pdb=" O ALA a 112 " (cutoff:3.500A) Processing helix chain 'a' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU a 148 " --> pdb=" O THR a 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU a 149 " --> pdb=" O PRO a 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU a 156 " --> pdb=" O ILE a 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER a 157 " --> pdb=" O VAL a 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE a 158 " --> pdb=" O ARG a 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE a 159 " --> pdb=" O ALA a 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER a 160 " --> pdb=" O LEU a 156 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N LYS a 161 " --> pdb=" O SER a 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP a 162 " --> pdb=" O ILE a 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY a 163 " --> pdb=" O PHE a 159 " (cutoff:3.500A) Processing helix chain 'a' and resid 173 through 181 removed outlier: 3.775A pdb=" N ILE a 178 " --> pdb=" O THR a 174 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N ASN a 179 " --> pdb=" O ASP a 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE a 180 " --> pdb=" O ARG a 176 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N LEU a 181 " --> pdb=" O TRP a 177 " (cutoff:3.500A) Processing helix chain 'a' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL a 187 " --> pdb=" O GLU a 183 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ARG a 192 " --> pdb=" O GLU a 188 " (cutoff:3.500A) Processing helix chain 'b' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE b 19 " --> pdb=" O GLN b 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP b 20 " --> pdb=" O TRP b 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN b 21 " --> pdb=" O GLN b 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG b 22 " --> pdb=" O GLU b 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA b 23 " --> pdb=" O ILE b 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE b 26 " --> pdb=" O ARG b 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS b 28 " --> pdb=" O ARG b 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR b 29 " --> pdb=" O GLU b 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU b 31 " --> pdb=" O PHE b 27 " (cutoff:3.500A) Processing helix chain 'b' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN b 91 " --> pdb=" O TRP b 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU b 92 " --> pdb=" O GLU b 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU b 93 " --> pdb=" O LEU b 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG b 94 " --> pdb=" O ASP b 90 " (cutoff:3.500A) Processing helix chain 'b' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU b 105 " --> pdb=" O LEU b 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU b 106 " --> pdb=" O SER b 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR b 107 " --> pdb=" O SER b 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA b 112 " --> pdb=" O VAL b 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU b 113 " --> pdb=" O ARG b 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE b 114 " --> pdb=" O LYS b 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU b 115 " --> pdb=" O VAL b 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP b 116 " --> pdb=" O ALA b 112 " (cutoff:3.500A) Processing helix chain 'b' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU b 148 " --> pdb=" O THR b 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU b 149 " --> pdb=" O PRO b 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU b 156 " --> pdb=" O ILE b 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER b 157 " --> pdb=" O VAL b 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE b 158 " --> pdb=" O ARG b 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE b 159 " --> pdb=" O ALA b 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER b 160 " --> pdb=" O LEU b 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS b 161 " --> pdb=" O SER b 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP b 162 " --> pdb=" O ILE b 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY b 163 " --> pdb=" O PHE b 159 " (cutoff:3.500A) Processing helix chain 'b' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE b 178 " --> pdb=" O THR b 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN b 179 " --> pdb=" O ASP b 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE b 180 " --> pdb=" O ARG b 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU b 181 " --> pdb=" O TRP b 177 " (cutoff:3.500A) Processing helix chain 'b' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL b 187 " --> pdb=" O GLU b 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG b 192 " --> pdb=" O GLU b 188 " (cutoff:3.500A) Processing helix chain 'c' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE c 19 " --> pdb=" O GLN c 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP c 20 " --> pdb=" O TRP c 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN c 21 " --> pdb=" O GLN c 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG c 22 " --> pdb=" O GLU c 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA c 23 " --> pdb=" O ILE c 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE c 26 " --> pdb=" O ARG c 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS c 28 " --> pdb=" O ARG c 24 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N THR c 29 " --> pdb=" O GLU c 25 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N LEU c 31 " --> pdb=" O PHE c 27 " (cutoff:3.500A) Processing helix chain 'c' and resid 85 through 95 removed outlier: 3.810A pdb=" N ASN c 91 " --> pdb=" O TRP c 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU c 92 " --> pdb=" O GLU c 88 " (cutoff:3.500A) removed outlier: 5.210A pdb=" N GLU c 93 " --> pdb=" O LEU c 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG c 94 " --> pdb=" O ASP c 90 " (cutoff:3.500A) Processing helix chain 'c' and resid 101 through 121 removed outlier: 4.497A pdb=" N GLU c 105 " --> pdb=" O LEU c 101 " (cutoff:3.500A) removed outlier: 3.963A pdb=" N GLU c 106 " --> pdb=" O SER c 102 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N THR c 107 " --> pdb=" O SER c 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA c 112 " --> pdb=" O VAL c 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU c 113 " --> pdb=" O ARG c 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE c 114 " --> pdb=" O LYS c 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU c 115 " --> pdb=" O VAL c 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP c 116 " --> pdb=" O ALA c 112 " (cutoff:3.500A) Processing helix chain 'c' and resid 144 through 163 removed outlier: 3.695A pdb=" N LEU c 148 " --> pdb=" O THR c 144 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N LEU c 149 " --> pdb=" O PRO c 145 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N LEU c 156 " --> pdb=" O ILE c 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER c 157 " --> pdb=" O VAL c 153 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N ILE c 158 " --> pdb=" O ARG c 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE c 159 " --> pdb=" O ALA c 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER c 160 " --> pdb=" O LEU c 156 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N LYS c 161 " --> pdb=" O SER c 157 " (cutoff:3.500A) removed outlier: 4.010A pdb=" N ASP c 162 " --> pdb=" O ILE c 158 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N GLY c 163 " --> pdb=" O PHE c 159 " (cutoff:3.500A) Processing helix chain 'c' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE c 178 " --> pdb=" O THR c 174 " (cutoff:3.500A) removed outlier: 4.370A pdb=" N ASN c 179 " --> pdb=" O ASP c 175 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N PHE c 180 " --> pdb=" O ARG c 176 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N LEU c 181 " --> pdb=" O TRP c 177 " (cutoff:3.500A) Processing helix chain 'c' and resid 183 through 192 removed outlier: 4.826A pdb=" N VAL c 187 " --> pdb=" O GLU c 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG c 192 " --> pdb=" O GLU c 188 " (cutoff:3.500A) Processing helix chain 'd' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE d 19 " --> pdb=" O GLN d 15 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ASP d 20 " --> pdb=" O TRP d 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN d 21 " --> pdb=" O GLN d 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG d 22 " --> pdb=" O GLU d 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA d 23 " --> pdb=" O ILE d 19 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N ILE d 26 " --> pdb=" O ARG d 22 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N LYS d 28 " --> pdb=" O ARG d 24 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N THR d 29 " --> pdb=" O GLU d 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU d 31 " --> pdb=" O PHE d 27 " (cutoff:3.500A) Processing helix chain 'd' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN d 91 " --> pdb=" O TRP d 87 " (cutoff:3.500A) removed outlier: 4.924A pdb=" N LEU d 92 " --> pdb=" O GLU d 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU d 93 " --> pdb=" O LEU d 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG d 94 " --> pdb=" O ASP d 90 " (cutoff:3.500A) Processing helix chain 'd' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU d 105 " --> pdb=" O LEU d 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU d 106 " --> pdb=" O SER d 102 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N THR d 107 " --> pdb=" O SER d 103 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N ALA d 112 " --> pdb=" O VAL d 108 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLU d 113 " --> pdb=" O ARG d 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE d 114 " --> pdb=" O LYS d 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU d 115 " --> pdb=" O VAL d 111 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ASP d 116 " --> pdb=" O ALA d 112 " (cutoff:3.500A) Processing helix chain 'd' and resid 144 through 163 removed outlier: 3.693A pdb=" N LEU d 148 " --> pdb=" O THR d 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU d 149 " --> pdb=" O PRO d 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU d 156 " --> pdb=" O ILE d 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER d 157 " --> pdb=" O VAL d 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE d 158 " --> pdb=" O ARG d 154 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N PHE d 159 " --> pdb=" O ALA d 155 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N SER d 160 " --> pdb=" O LEU d 156 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N LYS d 161 " --> pdb=" O SER d 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP d 162 " --> pdb=" O ILE d 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY d 163 " --> pdb=" O PHE d 159 " (cutoff:3.500A) Processing helix chain 'd' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE d 178 " --> pdb=" O THR d 174 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N ASN d 179 " --> pdb=" O ASP d 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE d 180 " --> pdb=" O ARG d 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU d 181 " --> pdb=" O TRP d 177 " (cutoff:3.500A) Processing helix chain 'd' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL d 187 " --> pdb=" O GLU d 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG d 192 " --> pdb=" O GLU d 188 " (cutoff:3.500A) Processing helix chain 'e' and resid 12 through 31 removed outlier: 3.651A pdb=" N ILE e 19 " --> pdb=" O GLN e 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP e 20 " --> pdb=" O TRP e 16 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ASN e 21 " --> pdb=" O GLN e 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG e 22 " --> pdb=" O GLU e 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA e 23 " --> pdb=" O ILE e 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE e 26 " --> pdb=" O ARG e 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS e 28 " --> pdb=" O ARG e 24 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N THR e 29 " --> pdb=" O GLU e 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU e 31 " --> pdb=" O PHE e 27 " (cutoff:3.500A) Processing helix chain 'e' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN e 91 " --> pdb=" O TRP e 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU e 92 " --> pdb=" O GLU e 88 " (cutoff:3.500A) removed outlier: 5.210A pdb=" N GLU e 93 " --> pdb=" O LEU e 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG e 94 " --> pdb=" O ASP e 90 " (cutoff:3.500A) Processing helix chain 'e' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU e 105 " --> pdb=" O LEU e 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU e 106 " --> pdb=" O SER e 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR e 107 " --> pdb=" O SER e 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA e 112 " --> pdb=" O VAL e 108 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLU e 113 " --> pdb=" O ARG e 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE e 114 " --> pdb=" O LYS e 110 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N GLU e 115 " --> pdb=" O VAL e 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP e 116 " --> pdb=" O ALA e 112 " (cutoff:3.500A) Processing helix chain 'e' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU e 148 " --> pdb=" O THR e 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU e 149 " --> pdb=" O PRO e 145 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N LEU e 156 " --> pdb=" O ILE e 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER e 157 " --> pdb=" O VAL e 153 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N ILE e 158 " --> pdb=" O ARG e 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE e 159 " --> pdb=" O ALA e 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER e 160 " --> pdb=" O LEU e 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS e 161 " --> pdb=" O SER e 157 " (cutoff:3.500A) removed outlier: 4.010A pdb=" N ASP e 162 " --> pdb=" O ILE e 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY e 163 " --> pdb=" O PHE e 159 " (cutoff:3.500A) Processing helix chain 'e' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE e 178 " --> pdb=" O THR e 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN e 179 " --> pdb=" O ASP e 175 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N PHE e 180 " --> pdb=" O ARG e 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU e 181 " --> pdb=" O TRP e 177 " (cutoff:3.500A) Processing helix chain 'e' and resid 183 through 192 removed outlier: 4.826A pdb=" N VAL e 187 " --> pdb=" O GLU e 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG e 192 " --> pdb=" O GLU e 188 " (cutoff:3.500A) Processing helix chain 'f' and resid 12 through 31 removed outlier: 3.649A pdb=" N ILE f 19 " --> pdb=" O GLN f 15 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ASP f 20 " --> pdb=" O TRP f 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN f 21 " --> pdb=" O GLN f 17 " (cutoff:3.500A) removed outlier: 4.089A pdb=" N ARG f 22 " --> pdb=" O GLU f 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA f 23 " --> pdb=" O ILE f 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE f 26 " --> pdb=" O ARG f 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS f 28 " --> pdb=" O ARG f 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR f 29 " --> pdb=" O GLU f 25 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N LEU f 31 " --> pdb=" O PHE f 27 " (cutoff:3.500A) Processing helix chain 'f' and resid 85 through 95 removed outlier: 3.810A pdb=" N ASN f 91 " --> pdb=" O TRP f 87 " (cutoff:3.500A) removed outlier: 4.924A pdb=" N LEU f 92 " --> pdb=" O GLU f 88 " (cutoff:3.500A) removed outlier: 5.210A pdb=" N GLU f 93 " --> pdb=" O LEU f 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG f 94 " --> pdb=" O ASP f 90 " (cutoff:3.500A) Processing helix chain 'f' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU f 105 " --> pdb=" O LEU f 101 " (cutoff:3.500A) removed outlier: 3.961A pdb=" N GLU f 106 " --> pdb=" O SER f 102 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N THR f 107 " --> pdb=" O SER f 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA f 112 " --> pdb=" O VAL f 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU f 113 " --> pdb=" O ARG f 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE f 114 " --> pdb=" O LYS f 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU f 115 " --> pdb=" O VAL f 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP f 116 " --> pdb=" O ALA f 112 " (cutoff:3.500A) Processing helix chain 'f' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU f 148 " --> pdb=" O THR f 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU f 149 " --> pdb=" O PRO f 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU f 156 " --> pdb=" O ILE f 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER f 157 " --> pdb=" O VAL f 153 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N ILE f 158 " --> pdb=" O ARG f 154 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N PHE f 159 " --> pdb=" O ALA f 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER f 160 " --> pdb=" O LEU f 156 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N LYS f 161 " --> pdb=" O SER f 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP f 162 " --> pdb=" O ILE f 158 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N GLY f 163 " --> pdb=" O PHE f 159 " (cutoff:3.500A) Processing helix chain 'f' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE f 178 " --> pdb=" O THR f 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN f 179 " --> pdb=" O ASP f 175 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N PHE f 180 " --> pdb=" O ARG f 176 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N LEU f 181 " --> pdb=" O TRP f 177 " (cutoff:3.500A) Processing helix chain 'f' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL f 187 " --> pdb=" O GLU f 183 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ARG f 192 " --> pdb=" O GLU f 188 " (cutoff:3.500A) Processing helix chain 'g' and resid 12 through 31 removed outlier: 3.649A pdb=" N ILE g 19 " --> pdb=" O GLN g 15 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ASP g 20 " --> pdb=" O TRP g 16 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ASN g 21 " --> pdb=" O GLN g 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG g 22 " --> pdb=" O GLU g 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA g 23 " --> pdb=" O ILE g 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE g 26 " --> pdb=" O ARG g 22 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N LYS g 28 " --> pdb=" O ARG g 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR g 29 " --> pdb=" O GLU g 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU g 31 " --> pdb=" O PHE g 27 " (cutoff:3.500A) Processing helix chain 'g' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN g 91 " --> pdb=" O TRP g 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU g 92 " --> pdb=" O GLU g 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU g 93 " --> pdb=" O LEU g 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG g 94 " --> pdb=" O ASP g 90 " (cutoff:3.500A) Processing helix chain 'g' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU g 105 " --> pdb=" O LEU g 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU g 106 " --> pdb=" O SER g 102 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N THR g 107 " --> pdb=" O SER g 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA g 112 " --> pdb=" O VAL g 108 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLU g 113 " --> pdb=" O ARG g 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE g 114 " --> pdb=" O LYS g 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU g 115 " --> pdb=" O VAL g 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP g 116 " --> pdb=" O ALA g 112 " (cutoff:3.500A) Processing helix chain 'g' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU g 148 " --> pdb=" O THR g 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU g 149 " --> pdb=" O PRO g 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU g 156 " --> pdb=" O ILE g 152 " (cutoff:3.500A) removed outlier: 4.029A pdb=" N SER g 157 " --> pdb=" O VAL g 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE g 158 " --> pdb=" O ARG g 154 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N PHE g 159 " --> pdb=" O ALA g 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER g 160 " --> pdb=" O LEU g 156 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N LYS g 161 " --> pdb=" O SER g 157 " (cutoff:3.500A) removed outlier: 4.010A pdb=" N ASP g 162 " --> pdb=" O ILE g 158 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N GLY g 163 " --> pdb=" O PHE g 159 " (cutoff:3.500A) Processing helix chain 'g' and resid 173 through 181 removed outlier: 3.775A pdb=" N ILE g 178 " --> pdb=" O THR g 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN g 179 " --> pdb=" O ASP g 175 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N PHE g 180 " --> pdb=" O ARG g 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU g 181 " --> pdb=" O TRP g 177 " (cutoff:3.500A) Processing helix chain 'g' and resid 183 through 192 removed outlier: 4.828A pdb=" N VAL g 187 " --> pdb=" O GLU g 183 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ARG g 192 " --> pdb=" O GLU g 188 " (cutoff:3.500A) Processing helix chain 'h' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE h 19 " --> pdb=" O GLN h 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP h 20 " --> pdb=" O TRP h 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN h 21 " --> pdb=" O GLN h 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG h 22 " --> pdb=" O GLU h 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA h 23 " --> pdb=" O ILE h 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE h 26 " --> pdb=" O ARG h 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS h 28 " --> pdb=" O ARG h 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR h 29 " --> pdb=" O GLU h 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU h 31 " --> pdb=" O PHE h 27 " (cutoff:3.500A) Processing helix chain 'h' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN h 91 " --> pdb=" O TRP h 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU h 92 " --> pdb=" O GLU h 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU h 93 " --> pdb=" O LEU h 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG h 94 " --> pdb=" O ASP h 90 " (cutoff:3.500A) Processing helix chain 'h' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU h 105 " --> pdb=" O LEU h 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU h 106 " --> pdb=" O SER h 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR h 107 " --> pdb=" O SER h 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA h 112 " --> pdb=" O VAL h 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU h 113 " --> pdb=" O ARG h 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE h 114 " --> pdb=" O LYS h 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU h 115 " --> pdb=" O VAL h 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP h 116 " --> pdb=" O ALA h 112 " (cutoff:3.500A) Processing helix chain 'h' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU h 148 " --> pdb=" O THR h 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU h 149 " --> pdb=" O PRO h 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU h 156 " --> pdb=" O ILE h 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER h 157 " --> pdb=" O VAL h 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE h 158 " --> pdb=" O ARG h 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE h 159 " --> pdb=" O ALA h 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER h 160 " --> pdb=" O LEU h 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS h 161 " --> pdb=" O SER h 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP h 162 " --> pdb=" O ILE h 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY h 163 " --> pdb=" O PHE h 159 " (cutoff:3.500A) Processing helix chain 'h' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE h 178 " --> pdb=" O THR h 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN h 179 " --> pdb=" O ASP h 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE h 180 " --> pdb=" O ARG h 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU h 181 " --> pdb=" O TRP h 177 " (cutoff:3.500A) Processing helix chain 'h' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL h 187 " --> pdb=" O GLU h 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG h 192 " --> pdb=" O GLU h 188 " (cutoff:3.500A) Processing helix chain 'i' and resid 12 through 31 removed outlier: 3.649A pdb=" N ILE i 19 " --> pdb=" O GLN i 15 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ASP i 20 " --> pdb=" O TRP i 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN i 21 " --> pdb=" O GLN i 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG i 22 " --> pdb=" O GLU i 18 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N ALA i 23 " --> pdb=" O ILE i 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE i 26 " --> pdb=" O ARG i 22 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N LYS i 28 " --> pdb=" O ARG i 24 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N THR i 29 " --> pdb=" O GLU i 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU i 31 " --> pdb=" O PHE i 27 " (cutoff:3.500A) Processing helix chain 'i' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN i 91 " --> pdb=" O TRP i 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU i 92 " --> pdb=" O GLU i 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU i 93 " --> pdb=" O LEU i 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG i 94 " --> pdb=" O ASP i 90 " (cutoff:3.500A) Processing helix chain 'i' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU i 105 " --> pdb=" O LEU i 101 " (cutoff:3.500A) removed outlier: 3.961A pdb=" N GLU i 106 " --> pdb=" O SER i 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR i 107 " --> pdb=" O SER i 103 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N ALA i 112 " --> pdb=" O VAL i 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU i 113 " --> pdb=" O ARG i 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE i 114 " --> pdb=" O LYS i 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU i 115 " --> pdb=" O VAL i 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP i 116 " --> pdb=" O ALA i 112 " (cutoff:3.500A) Processing helix chain 'i' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU i 148 " --> pdb=" O THR i 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU i 149 " --> pdb=" O PRO i 145 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N LEU i 156 " --> pdb=" O ILE i 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER i 157 " --> pdb=" O VAL i 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE i 158 " --> pdb=" O ARG i 154 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N PHE i 159 " --> pdb=" O ALA i 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER i 160 " --> pdb=" O LEU i 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS i 161 " --> pdb=" O SER i 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP i 162 " --> pdb=" O ILE i 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY i 163 " --> pdb=" O PHE i 159 " (cutoff:3.500A) Processing helix chain 'i' and resid 173 through 181 removed outlier: 3.775A pdb=" N ILE i 178 " --> pdb=" O THR i 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN i 179 " --> pdb=" O ASP i 175 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N PHE i 180 " --> pdb=" O ARG i 176 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N LEU i 181 " --> pdb=" O TRP i 177 " (cutoff:3.500A) Processing helix chain 'i' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL i 187 " --> pdb=" O GLU i 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG i 192 " --> pdb=" O GLU i 188 " (cutoff:3.500A) Processing helix chain 'j' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE j 19 " --> pdb=" O GLN j 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP j 20 " --> pdb=" O TRP j 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN j 21 " --> pdb=" O GLN j 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG j 22 " --> pdb=" O GLU j 18 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N ALA j 23 " --> pdb=" O ILE j 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE j 26 " --> pdb=" O ARG j 22 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N LYS j 28 " --> pdb=" O ARG j 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR j 29 " --> pdb=" O GLU j 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU j 31 " --> pdb=" O PHE j 27 " (cutoff:3.500A) Processing helix chain 'j' and resid 85 through 95 removed outlier: 3.810A pdb=" N ASN j 91 " --> pdb=" O TRP j 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU j 92 " --> pdb=" O GLU j 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU j 93 " --> pdb=" O LEU j 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG j 94 " --> pdb=" O ASP j 90 " (cutoff:3.500A) Processing helix chain 'j' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU j 105 " --> pdb=" O LEU j 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU j 106 " --> pdb=" O SER j 102 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N THR j 107 " --> pdb=" O SER j 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA j 112 " --> pdb=" O VAL j 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU j 113 " --> pdb=" O ARG j 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE j 114 " --> pdb=" O LYS j 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU j 115 " --> pdb=" O VAL j 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP j 116 " --> pdb=" O ALA j 112 " (cutoff:3.500A) Processing helix chain 'j' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU j 148 " --> pdb=" O THR j 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU j 149 " --> pdb=" O PRO j 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU j 156 " --> pdb=" O ILE j 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER j 157 " --> pdb=" O VAL j 153 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N ILE j 158 " --> pdb=" O ARG j 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE j 159 " --> pdb=" O ALA j 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER j 160 " --> pdb=" O LEU j 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS j 161 " --> pdb=" O SER j 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP j 162 " --> pdb=" O ILE j 158 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N GLY j 163 " --> pdb=" O PHE j 159 " (cutoff:3.500A) Processing helix chain 'j' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE j 178 " --> pdb=" O THR j 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN j 179 " --> pdb=" O ASP j 175 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N PHE j 180 " --> pdb=" O ARG j 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU j 181 " --> pdb=" O TRP j 177 " (cutoff:3.500A) Processing helix chain 'j' and resid 183 through 192 removed outlier: 4.826A pdb=" N VAL j 187 " --> pdb=" O GLU j 183 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ARG j 192 " --> pdb=" O GLU j 188 " (cutoff:3.500A) Processing helix chain 'k' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE k 19 " --> pdb=" O GLN k 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP k 20 " --> pdb=" O TRP k 16 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ASN k 21 " --> pdb=" O GLN k 17 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ARG k 22 " --> pdb=" O GLU k 18 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N ALA k 23 " --> pdb=" O ILE k 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE k 26 " --> pdb=" O ARG k 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS k 28 " --> pdb=" O ARG k 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR k 29 " --> pdb=" O GLU k 25 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N LEU k 31 " --> pdb=" O PHE k 27 " (cutoff:3.500A) Processing helix chain 'k' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN k 91 " --> pdb=" O TRP k 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU k 92 " --> pdb=" O GLU k 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU k 93 " --> pdb=" O LEU k 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG k 94 " --> pdb=" O ASP k 90 " (cutoff:3.500A) Processing helix chain 'k' and resid 101 through 121 removed outlier: 4.499A pdb=" N GLU k 105 " --> pdb=" O LEU k 101 " (cutoff:3.500A) removed outlier: 3.961A pdb=" N GLU k 106 " --> pdb=" O SER k 102 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N THR k 107 " --> pdb=" O SER k 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA k 112 " --> pdb=" O VAL k 108 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLU k 113 " --> pdb=" O ARG k 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE k 114 " --> pdb=" O LYS k 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU k 115 " --> pdb=" O VAL k 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP k 116 " --> pdb=" O ALA k 112 " (cutoff:3.500A) Processing helix chain 'k' and resid 144 through 163 removed outlier: 3.695A pdb=" N LEU k 148 " --> pdb=" O THR k 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU k 149 " --> pdb=" O PRO k 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU k 156 " --> pdb=" O ILE k 152 " (cutoff:3.500A) removed outlier: 4.029A pdb=" N SER k 157 " --> pdb=" O VAL k 153 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N ILE k 158 " --> pdb=" O ARG k 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE k 159 " --> pdb=" O ALA k 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER k 160 " --> pdb=" O LEU k 156 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N LYS k 161 " --> pdb=" O SER k 157 " (cutoff:3.500A) removed outlier: 4.010A pdb=" N ASP k 162 " --> pdb=" O ILE k 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY k 163 " --> pdb=" O PHE k 159 " (cutoff:3.500A) Processing helix chain 'k' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE k 178 " --> pdb=" O THR k 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN k 179 " --> pdb=" O ASP k 175 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N PHE k 180 " --> pdb=" O ARG k 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU k 181 " --> pdb=" O TRP k 177 " (cutoff:3.500A) Processing helix chain 'k' and resid 183 through 192 removed outlier: 4.828A pdb=" N VAL k 187 " --> pdb=" O GLU k 183 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ARG k 192 " --> pdb=" O GLU k 188 " (cutoff:3.500A) Processing helix chain 'l' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE l 19 " --> pdb=" O GLN l 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP l 20 " --> pdb=" O TRP l 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN l 21 " --> pdb=" O GLN l 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG l 22 " --> pdb=" O GLU l 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA l 23 " --> pdb=" O ILE l 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE l 26 " --> pdb=" O ARG l 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS l 28 " --> pdb=" O ARG l 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR l 29 " --> pdb=" O GLU l 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU l 31 " --> pdb=" O PHE l 27 " (cutoff:3.500A) Processing helix chain 'l' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN l 91 " --> pdb=" O TRP l 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU l 92 " --> pdb=" O GLU l 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU l 93 " --> pdb=" O LEU l 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG l 94 " --> pdb=" O ASP l 90 " (cutoff:3.500A) Processing helix chain 'l' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU l 105 " --> pdb=" O LEU l 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU l 106 " --> pdb=" O SER l 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR l 107 " --> pdb=" O SER l 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA l 112 " --> pdb=" O VAL l 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU l 113 " --> pdb=" O ARG l 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE l 114 " --> pdb=" O LYS l 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU l 115 " --> pdb=" O VAL l 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP l 116 " --> pdb=" O ALA l 112 " (cutoff:3.500A) Processing helix chain 'l' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU l 148 " --> pdb=" O THR l 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU l 149 " --> pdb=" O PRO l 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU l 156 " --> pdb=" O ILE l 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER l 157 " --> pdb=" O VAL l 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE l 158 " --> pdb=" O ARG l 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE l 159 " --> pdb=" O ALA l 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER l 160 " --> pdb=" O LEU l 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS l 161 " --> pdb=" O SER l 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP l 162 " --> pdb=" O ILE l 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY l 163 " --> pdb=" O PHE l 159 " (cutoff:3.500A) Processing helix chain 'l' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE l 178 " --> pdb=" O THR l 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN l 179 " --> pdb=" O ASP l 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE l 180 " --> pdb=" O ARG l 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU l 181 " --> pdb=" O TRP l 177 " (cutoff:3.500A) Processing helix chain 'l' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL l 187 " --> pdb=" O GLU l 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG l 192 " --> pdb=" O GLU l 188 " (cutoff:3.500A) Processing helix chain 'm' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE m 19 " --> pdb=" O GLN m 15 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ASP m 20 " --> pdb=" O TRP m 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN m 21 " --> pdb=" O GLN m 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG m 22 " --> pdb=" O GLU m 18 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N ALA m 23 " --> pdb=" O ILE m 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE m 26 " --> pdb=" O ARG m 22 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N LYS m 28 " --> pdb=" O ARG m 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR m 29 " --> pdb=" O GLU m 25 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N LEU m 31 " --> pdb=" O PHE m 27 " (cutoff:3.500A) Processing helix chain 'm' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN m 91 " --> pdb=" O TRP m 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU m 92 " --> pdb=" O GLU m 88 " (cutoff:3.500A) removed outlier: 5.210A pdb=" N GLU m 93 " --> pdb=" O LEU m 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG m 94 " --> pdb=" O ASP m 90 " (cutoff:3.500A) Processing helix chain 'm' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU m 105 " --> pdb=" O LEU m 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU m 106 " --> pdb=" O SER m 102 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N THR m 107 " --> pdb=" O SER m 103 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N ALA m 112 " --> pdb=" O VAL m 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU m 113 " --> pdb=" O ARG m 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE m 114 " --> pdb=" O LYS m 110 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N GLU m 115 " --> pdb=" O VAL m 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP m 116 " --> pdb=" O ALA m 112 " (cutoff:3.500A) Processing helix chain 'm' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU m 148 " --> pdb=" O THR m 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU m 149 " --> pdb=" O PRO m 145 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N LEU m 156 " --> pdb=" O ILE m 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER m 157 " --> pdb=" O VAL m 153 " (cutoff:3.500A) removed outlier: 3.959A pdb=" N ILE m 158 " --> pdb=" O ARG m 154 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N PHE m 159 " --> pdb=" O ALA m 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER m 160 " --> pdb=" O LEU m 156 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N LYS m 161 " --> pdb=" O SER m 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP m 162 " --> pdb=" O ILE m 158 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N GLY m 163 " --> pdb=" O PHE m 159 " (cutoff:3.500A) Processing helix chain 'm' and resid 173 through 181 removed outlier: 3.775A pdb=" N ILE m 178 " --> pdb=" O THR m 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN m 179 " --> pdb=" O ASP m 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE m 180 " --> pdb=" O ARG m 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU m 181 " --> pdb=" O TRP m 177 " (cutoff:3.500A) Processing helix chain 'm' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL m 187 " --> pdb=" O GLU m 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG m 192 " --> pdb=" O GLU m 188 " (cutoff:3.500A) Processing helix chain 'n' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE n 19 " --> pdb=" O GLN n 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP n 20 " --> pdb=" O TRP n 16 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ASN n 21 " --> pdb=" O GLN n 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG n 22 " --> pdb=" O GLU n 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA n 23 " --> pdb=" O ILE n 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE n 26 " --> pdb=" O ARG n 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS n 28 " --> pdb=" O ARG n 24 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N THR n 29 " --> pdb=" O GLU n 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU n 31 " --> pdb=" O PHE n 27 " (cutoff:3.500A) Processing helix chain 'n' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN n 91 " --> pdb=" O TRP n 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU n 92 " --> pdb=" O GLU n 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU n 93 " --> pdb=" O LEU n 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG n 94 " --> pdb=" O ASP n 90 " (cutoff:3.500A) Processing helix chain 'n' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU n 105 " --> pdb=" O LEU n 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU n 106 " --> pdb=" O SER n 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR n 107 " --> pdb=" O SER n 103 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N ALA n 112 " --> pdb=" O VAL n 108 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLU n 113 " --> pdb=" O ARG n 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE n 114 " --> pdb=" O LYS n 110 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N GLU n 115 " --> pdb=" O VAL n 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP n 116 " --> pdb=" O ALA n 112 " (cutoff:3.500A) Processing helix chain 'n' and resid 144 through 163 removed outlier: 3.695A pdb=" N LEU n 148 " --> pdb=" O THR n 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU n 149 " --> pdb=" O PRO n 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU n 156 " --> pdb=" O ILE n 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER n 157 " --> pdb=" O VAL n 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE n 158 " --> pdb=" O ARG n 154 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N PHE n 159 " --> pdb=" O ALA n 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER n 160 " --> pdb=" O LEU n 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS n 161 " --> pdb=" O SER n 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP n 162 " --> pdb=" O ILE n 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY n 163 " --> pdb=" O PHE n 159 " (cutoff:3.500A) Processing helix chain 'n' and resid 173 through 181 removed outlier: 3.775A pdb=" N ILE n 178 " --> pdb=" O THR n 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN n 179 " --> pdb=" O ASP n 175 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N PHE n 180 " --> pdb=" O ARG n 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU n 181 " --> pdb=" O TRP n 177 " (cutoff:3.500A) Processing helix chain 'n' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL n 187 " --> pdb=" O GLU n 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG n 192 " --> pdb=" O GLU n 188 " (cutoff:3.500A) Processing helix chain 'o' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE o 19 " --> pdb=" O GLN o 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP o 20 " --> pdb=" O TRP o 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN o 21 " --> pdb=" O GLN o 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG o 22 " --> pdb=" O GLU o 18 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N ALA o 23 " --> pdb=" O ILE o 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE o 26 " --> pdb=" O ARG o 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS o 28 " --> pdb=" O ARG o 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR o 29 " --> pdb=" O GLU o 25 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N LEU o 31 " --> pdb=" O PHE o 27 " (cutoff:3.500A) Processing helix chain 'o' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN o 91 " --> pdb=" O TRP o 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU o 92 " --> pdb=" O GLU o 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU o 93 " --> pdb=" O LEU o 89 " (cutoff:3.500A) removed outlier: 4.076A pdb=" N ARG o 94 " --> pdb=" O ASP o 90 " (cutoff:3.500A) Processing helix chain 'o' and resid 101 through 121 removed outlier: 4.497A pdb=" N GLU o 105 " --> pdb=" O LEU o 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU o 106 " --> pdb=" O SER o 102 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N THR o 107 " --> pdb=" O SER o 103 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N ALA o 112 " --> pdb=" O VAL o 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU o 113 " --> pdb=" O ARG o 109 " (cutoff:3.500A) removed outlier: 3.981A pdb=" N PHE o 114 " --> pdb=" O LYS o 110 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N GLU o 115 " --> pdb=" O VAL o 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP o 116 " --> pdb=" O ALA o 112 " (cutoff:3.500A) Processing helix chain 'o' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU o 148 " --> pdb=" O THR o 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU o 149 " --> pdb=" O PRO o 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU o 156 " --> pdb=" O ILE o 152 " (cutoff:3.500A) removed outlier: 4.029A pdb=" N SER o 157 " --> pdb=" O VAL o 153 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N ILE o 158 " --> pdb=" O ARG o 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE o 159 " --> pdb=" O ALA o 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER o 160 " --> pdb=" O LEU o 156 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N LYS o 161 " --> pdb=" O SER o 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP o 162 " --> pdb=" O ILE o 158 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N GLY o 163 " --> pdb=" O PHE o 159 " (cutoff:3.500A) Processing helix chain 'o' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE o 178 " --> pdb=" O THR o 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN o 179 " --> pdb=" O ASP o 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE o 180 " --> pdb=" O ARG o 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU o 181 " --> pdb=" O TRP o 177 " (cutoff:3.500A) Processing helix chain 'o' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL o 187 " --> pdb=" O GLU o 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG o 192 " --> pdb=" O GLU o 188 " (cutoff:3.500A) Processing helix chain 'p' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE p 19 " --> pdb=" O GLN p 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP p 20 " --> pdb=" O TRP p 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN p 21 " --> pdb=" O GLN p 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG p 22 " --> pdb=" O GLU p 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA p 23 " --> pdb=" O ILE p 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE p 26 " --> pdb=" O ARG p 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS p 28 " --> pdb=" O ARG p 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR p 29 " --> pdb=" O GLU p 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU p 31 " --> pdb=" O PHE p 27 " (cutoff:3.500A) Processing helix chain 'p' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN p 91 " --> pdb=" O TRP p 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU p 92 " --> pdb=" O GLU p 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU p 93 " --> pdb=" O LEU p 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG p 94 " --> pdb=" O ASP p 90 " (cutoff:3.500A) Processing helix chain 'p' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU p 105 " --> pdb=" O LEU p 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU p 106 " --> pdb=" O SER p 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR p 107 " --> pdb=" O SER p 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA p 112 " --> pdb=" O VAL p 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU p 113 " --> pdb=" O ARG p 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE p 114 " --> pdb=" O LYS p 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU p 115 " --> pdb=" O VAL p 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP p 116 " --> pdb=" O ALA p 112 " (cutoff:3.500A) Processing helix chain 'p' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU p 148 " --> pdb=" O THR p 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU p 149 " --> pdb=" O PRO p 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU p 156 " --> pdb=" O ILE p 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER p 157 " --> pdb=" O VAL p 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE p 158 " --> pdb=" O ARG p 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE p 159 " --> pdb=" O ALA p 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER p 160 " --> pdb=" O LEU p 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS p 161 " --> pdb=" O SER p 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP p 162 " --> pdb=" O ILE p 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY p 163 " --> pdb=" O PHE p 159 " (cutoff:3.500A) Processing helix chain 'p' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE p 178 " --> pdb=" O THR p 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN p 179 " --> pdb=" O ASP p 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE p 180 " --> pdb=" O ARG p 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU p 181 " --> pdb=" O TRP p 177 " (cutoff:3.500A) Processing helix chain 'p' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL p 187 " --> pdb=" O GLU p 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG p 192 " --> pdb=" O GLU p 188 " (cutoff:3.500A) Processing helix chain 'q' and resid 12 through 31 removed outlier: 3.649A pdb=" N ILE q 19 " --> pdb=" O GLN q 15 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ASP q 20 " --> pdb=" O TRP q 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN q 21 " --> pdb=" O GLN q 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG q 22 " --> pdb=" O GLU q 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA q 23 " --> pdb=" O ILE q 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE q 26 " --> pdb=" O ARG q 22 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N LYS q 28 " --> pdb=" O ARG q 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR q 29 " --> pdb=" O GLU q 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU q 31 " --> pdb=" O PHE q 27 " (cutoff:3.500A) Processing helix chain 'q' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN q 91 " --> pdb=" O TRP q 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU q 92 " --> pdb=" O GLU q 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU q 93 " --> pdb=" O LEU q 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG q 94 " --> pdb=" O ASP q 90 " (cutoff:3.500A) Processing helix chain 'q' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU q 105 " --> pdb=" O LEU q 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU q 106 " --> pdb=" O SER q 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR q 107 " --> pdb=" O SER q 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA q 112 " --> pdb=" O VAL q 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU q 113 " --> pdb=" O ARG q 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE q 114 " --> pdb=" O LYS q 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU q 115 " --> pdb=" O VAL q 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP q 116 " --> pdb=" O ALA q 112 " (cutoff:3.500A) Processing helix chain 'q' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU q 148 " --> pdb=" O THR q 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU q 149 " --> pdb=" O PRO q 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU q 156 " --> pdb=" O ILE q 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER q 157 " --> pdb=" O VAL q 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE q 158 " --> pdb=" O ARG q 154 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N PHE q 159 " --> pdb=" O ALA q 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER q 160 " --> pdb=" O LEU q 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS q 161 " --> pdb=" O SER q 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP q 162 " --> pdb=" O ILE q 158 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N GLY q 163 " --> pdb=" O PHE q 159 " (cutoff:3.500A) Processing helix chain 'q' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE q 178 " --> pdb=" O THR q 174 " (cutoff:3.500A) removed outlier: 4.370A pdb=" N ASN q 179 " --> pdb=" O ASP q 175 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N PHE q 180 " --> pdb=" O ARG q 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU q 181 " --> pdb=" O TRP q 177 " (cutoff:3.500A) Processing helix chain 'q' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL q 187 " --> pdb=" O GLU q 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG q 192 " --> pdb=" O GLU q 188 " (cutoff:3.500A) Processing helix chain 'r' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE r 19 " --> pdb=" O GLN r 15 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ASP r 20 " --> pdb=" O TRP r 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN r 21 " --> pdb=" O GLN r 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG r 22 " --> pdb=" O GLU r 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA r 23 " --> pdb=" O ILE r 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE r 26 " --> pdb=" O ARG r 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS r 28 " --> pdb=" O ARG r 24 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N THR r 29 " --> pdb=" O GLU r 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU r 31 " --> pdb=" O PHE r 27 " (cutoff:3.500A) Processing helix chain 'r' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN r 91 " --> pdb=" O TRP r 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU r 92 " --> pdb=" O GLU r 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU r 93 " --> pdb=" O LEU r 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG r 94 " --> pdb=" O ASP r 90 " (cutoff:3.500A) Processing helix chain 'r' and resid 101 through 121 removed outlier: 4.497A pdb=" N GLU r 105 " --> pdb=" O LEU r 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU r 106 " --> pdb=" O SER r 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR r 107 " --> pdb=" O SER r 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA r 112 " --> pdb=" O VAL r 108 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLU r 113 " --> pdb=" O ARG r 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE r 114 " --> pdb=" O LYS r 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU r 115 " --> pdb=" O VAL r 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP r 116 " --> pdb=" O ALA r 112 " (cutoff:3.500A) Processing helix chain 'r' and resid 144 through 163 removed outlier: 3.695A pdb=" N LEU r 148 " --> pdb=" O THR r 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU r 149 " --> pdb=" O PRO r 145 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N LEU r 156 " --> pdb=" O ILE r 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER r 157 " --> pdb=" O VAL r 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE r 158 " --> pdb=" O ARG r 154 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N PHE r 159 " --> pdb=" O ALA r 155 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N SER r 160 " --> pdb=" O LEU r 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS r 161 " --> pdb=" O SER r 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP r 162 " --> pdb=" O ILE r 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY r 163 " --> pdb=" O PHE r 159 " (cutoff:3.500A) Processing helix chain 'r' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE r 178 " --> pdb=" O THR r 174 " (cutoff:3.500A) removed outlier: 4.370A pdb=" N ASN r 179 " --> pdb=" O ASP r 175 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N PHE r 180 " --> pdb=" O ARG r 176 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N LEU r 181 " --> pdb=" O TRP r 177 " (cutoff:3.500A) Processing helix chain 'r' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL r 187 " --> pdb=" O GLU r 183 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ARG r 192 " --> pdb=" O GLU r 188 " (cutoff:3.500A) Processing helix chain 's' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE s 19 " --> pdb=" O GLN s 15 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ASP s 20 " --> pdb=" O TRP s 16 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ASN s 21 " --> pdb=" O GLN s 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG s 22 " --> pdb=" O GLU s 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA s 23 " --> pdb=" O ILE s 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE s 26 " --> pdb=" O ARG s 22 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N LYS s 28 " --> pdb=" O ARG s 24 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N THR s 29 " --> pdb=" O GLU s 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU s 31 " --> pdb=" O PHE s 27 " (cutoff:3.500A) Processing helix chain 's' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN s 91 " --> pdb=" O TRP s 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU s 92 " --> pdb=" O GLU s 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU s 93 " --> pdb=" O LEU s 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG s 94 " --> pdb=" O ASP s 90 " (cutoff:3.500A) Processing helix chain 's' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU s 105 " --> pdb=" O LEU s 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU s 106 " --> pdb=" O SER s 102 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N THR s 107 " --> pdb=" O SER s 103 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N ALA s 112 " --> pdb=" O VAL s 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU s 113 " --> pdb=" O ARG s 109 " (cutoff:3.500A) removed outlier: 3.981A pdb=" N PHE s 114 " --> pdb=" O LYS s 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU s 115 " --> pdb=" O VAL s 111 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ASP s 116 " --> pdb=" O ALA s 112 " (cutoff:3.500A) Processing helix chain 's' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU s 148 " --> pdb=" O THR s 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU s 149 " --> pdb=" O PRO s 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU s 156 " --> pdb=" O ILE s 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER s 157 " --> pdb=" O VAL s 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE s 158 " --> pdb=" O ARG s 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE s 159 " --> pdb=" O ALA s 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER s 160 " --> pdb=" O LEU s 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS s 161 " --> pdb=" O SER s 157 " (cutoff:3.500A) removed outlier: 4.010A pdb=" N ASP s 162 " --> pdb=" O ILE s 158 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N GLY s 163 " --> pdb=" O PHE s 159 " (cutoff:3.500A) Processing helix chain 's' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE s 178 " --> pdb=" O THR s 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN s 179 " --> pdb=" O ASP s 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE s 180 " --> pdb=" O ARG s 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU s 181 " --> pdb=" O TRP s 177 " (cutoff:3.500A) Processing helix chain 's' and resid 183 through 192 removed outlier: 4.826A pdb=" N VAL s 187 " --> pdb=" O GLU s 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG s 192 " --> pdb=" O GLU s 188 " (cutoff:3.500A) Processing helix chain 't' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE t 19 " --> pdb=" O GLN t 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP t 20 " --> pdb=" O TRP t 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN t 21 " --> pdb=" O GLN t 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG t 22 " --> pdb=" O GLU t 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA t 23 " --> pdb=" O ILE t 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE t 26 " --> pdb=" O ARG t 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS t 28 " --> pdb=" O ARG t 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR t 29 " --> pdb=" O GLU t 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU t 31 " --> pdb=" O PHE t 27 " (cutoff:3.500A) Processing helix chain 't' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN t 91 " --> pdb=" O TRP t 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU t 92 " --> pdb=" O GLU t 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU t 93 " --> pdb=" O LEU t 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG t 94 " --> pdb=" O ASP t 90 " (cutoff:3.500A) Processing helix chain 't' and resid 101 through 121 removed outlier: 4.498A pdb=" N GLU t 105 " --> pdb=" O LEU t 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU t 106 " --> pdb=" O SER t 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR t 107 " --> pdb=" O SER t 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA t 112 " --> pdb=" O VAL t 108 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N GLU t 113 " --> pdb=" O ARG t 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE t 114 " --> pdb=" O LYS t 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU t 115 " --> pdb=" O VAL t 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP t 116 " --> pdb=" O ALA t 112 " (cutoff:3.500A) Processing helix chain 't' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU t 148 " --> pdb=" O THR t 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU t 149 " --> pdb=" O PRO t 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU t 156 " --> pdb=" O ILE t 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER t 157 " --> pdb=" O VAL t 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE t 158 " --> pdb=" O ARG t 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE t 159 " --> pdb=" O ALA t 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER t 160 " --> pdb=" O LEU t 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS t 161 " --> pdb=" O SER t 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP t 162 " --> pdb=" O ILE t 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY t 163 " --> pdb=" O PHE t 159 " (cutoff:3.500A) Processing helix chain 't' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE t 178 " --> pdb=" O THR t 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN t 179 " --> pdb=" O ASP t 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE t 180 " --> pdb=" O ARG t 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU t 181 " --> pdb=" O TRP t 177 " (cutoff:3.500A) Processing helix chain 't' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL t 187 " --> pdb=" O GLU t 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG t 192 " --> pdb=" O GLU t 188 " (cutoff:3.500A) Processing helix chain 'u' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE u 19 " --> pdb=" O GLN u 15 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ASP u 20 " --> pdb=" O TRP u 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN u 21 " --> pdb=" O GLN u 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG u 22 " --> pdb=" O GLU u 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA u 23 " --> pdb=" O ILE u 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE u 26 " --> pdb=" O ARG u 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS u 28 " --> pdb=" O ARG u 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR u 29 " --> pdb=" O GLU u 25 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N LEU u 31 " --> pdb=" O PHE u 27 " (cutoff:3.500A) Processing helix chain 'u' and resid 85 through 95 removed outlier: 3.812A pdb=" N ASN u 91 " --> pdb=" O TRP u 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU u 92 " --> pdb=" O GLU u 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU u 93 " --> pdb=" O LEU u 89 " (cutoff:3.500A) removed outlier: 4.078A pdb=" N ARG u 94 " --> pdb=" O ASP u 90 " (cutoff:3.500A) Processing helix chain 'u' and resid 101 through 121 removed outlier: 4.497A pdb=" N GLU u 105 " --> pdb=" O LEU u 101 " (cutoff:3.500A) removed outlier: 3.963A pdb=" N GLU u 106 " --> pdb=" O SER u 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR u 107 " --> pdb=" O SER u 103 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N ALA u 112 " --> pdb=" O VAL u 108 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLU u 113 " --> pdb=" O ARG u 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE u 114 " --> pdb=" O LYS u 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU u 115 " --> pdb=" O VAL u 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP u 116 " --> pdb=" O ALA u 112 " (cutoff:3.500A) Processing helix chain 'u' and resid 144 through 163 removed outlier: 3.695A pdb=" N LEU u 148 " --> pdb=" O THR u 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU u 149 " --> pdb=" O PRO u 145 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N LEU u 156 " --> pdb=" O ILE u 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER u 157 " --> pdb=" O VAL u 153 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N ILE u 158 " --> pdb=" O ARG u 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE u 159 " --> pdb=" O ALA u 155 " (cutoff:3.500A) removed outlier: 3.821A pdb=" N SER u 160 " --> pdb=" O LEU u 156 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N LYS u 161 " --> pdb=" O SER u 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP u 162 " --> pdb=" O ILE u 158 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N GLY u 163 " --> pdb=" O PHE u 159 " (cutoff:3.500A) Processing helix chain 'u' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE u 178 " --> pdb=" O THR u 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN u 179 " --> pdb=" O ASP u 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE u 180 " --> pdb=" O ARG u 176 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N LEU u 181 " --> pdb=" O TRP u 177 " (cutoff:3.500A) Processing helix chain 'u' and resid 183 through 192 removed outlier: 4.826A pdb=" N VAL u 187 " --> pdb=" O GLU u 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG u 192 " --> pdb=" O GLU u 188 " (cutoff:3.500A) Processing helix chain 'v' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE v 19 " --> pdb=" O GLN v 15 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ASP v 20 " --> pdb=" O TRP v 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN v 21 " --> pdb=" O GLN v 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG v 22 " --> pdb=" O GLU v 18 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ALA v 23 " --> pdb=" O ILE v 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE v 26 " --> pdb=" O ARG v 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS v 28 " --> pdb=" O ARG v 24 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N THR v 29 " --> pdb=" O GLU v 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU v 31 " --> pdb=" O PHE v 27 " (cutoff:3.500A) Processing helix chain 'v' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN v 91 " --> pdb=" O TRP v 87 " (cutoff:3.500A) removed outlier: 4.924A pdb=" N LEU v 92 " --> pdb=" O GLU v 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU v 93 " --> pdb=" O LEU v 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG v 94 " --> pdb=" O ASP v 90 " (cutoff:3.500A) Processing helix chain 'v' and resid 101 through 121 removed outlier: 4.497A pdb=" N GLU v 105 " --> pdb=" O LEU v 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU v 106 " --> pdb=" O SER v 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR v 107 " --> pdb=" O SER v 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA v 112 " --> pdb=" O VAL v 108 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLU v 113 " --> pdb=" O ARG v 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE v 114 " --> pdb=" O LYS v 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU v 115 " --> pdb=" O VAL v 111 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ASP v 116 " --> pdb=" O ALA v 112 " (cutoff:3.500A) Processing helix chain 'v' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU v 148 " --> pdb=" O THR v 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU v 149 " --> pdb=" O PRO v 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU v 156 " --> pdb=" O ILE v 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER v 157 " --> pdb=" O VAL v 153 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N ILE v 158 " --> pdb=" O ARG v 154 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N PHE v 159 " --> pdb=" O ALA v 155 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N SER v 160 " --> pdb=" O LEU v 156 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N LYS v 161 " --> pdb=" O SER v 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP v 162 " --> pdb=" O ILE v 158 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N GLY v 163 " --> pdb=" O PHE v 159 " (cutoff:3.500A) Processing helix chain 'v' and resid 173 through 181 removed outlier: 3.776A pdb=" N ILE v 178 " --> pdb=" O THR v 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN v 179 " --> pdb=" O ASP v 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE v 180 " --> pdb=" O ARG v 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU v 181 " --> pdb=" O TRP v 177 " (cutoff:3.500A) Processing helix chain 'v' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL v 187 " --> pdb=" O GLU v 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG v 192 " --> pdb=" O GLU v 188 " (cutoff:3.500A) Processing helix chain 'w' and resid 12 through 31 removed outlier: 3.651A pdb=" N ILE w 19 " --> pdb=" O GLN w 15 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N ASP w 20 " --> pdb=" O TRP w 16 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ASN w 21 " --> pdb=" O GLN w 17 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N ARG w 22 " --> pdb=" O GLU w 18 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N ALA w 23 " --> pdb=" O ILE w 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE w 26 " --> pdb=" O ARG w 22 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N LYS w 28 " --> pdb=" O ARG w 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR w 29 " --> pdb=" O GLU w 25 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N LEU w 31 " --> pdb=" O PHE w 27 " (cutoff:3.500A) Processing helix chain 'w' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN w 91 " --> pdb=" O TRP w 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU w 92 " --> pdb=" O GLU w 88 " (cutoff:3.500A) removed outlier: 5.210A pdb=" N GLU w 93 " --> pdb=" O LEU w 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG w 94 " --> pdb=" O ASP w 90 " (cutoff:3.500A) Processing helix chain 'w' and resid 101 through 121 removed outlier: 4.497A pdb=" N GLU w 105 " --> pdb=" O LEU w 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU w 106 " --> pdb=" O SER w 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR w 107 " --> pdb=" O SER w 103 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N ALA w 112 " --> pdb=" O VAL w 108 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLU w 113 " --> pdb=" O ARG w 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE w 114 " --> pdb=" O LYS w 110 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N GLU w 115 " --> pdb=" O VAL w 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP w 116 " --> pdb=" O ALA w 112 " (cutoff:3.500A) Processing helix chain 'w' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU w 148 " --> pdb=" O THR w 144 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N LEU w 149 " --> pdb=" O PRO w 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU w 156 " --> pdb=" O ILE w 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER w 157 " --> pdb=" O VAL w 153 " (cutoff:3.500A) removed outlier: 3.959A pdb=" N ILE w 158 " --> pdb=" O ARG w 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE w 159 " --> pdb=" O ALA w 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER w 160 " --> pdb=" O LEU w 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS w 161 " --> pdb=" O SER w 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP w 162 " --> pdb=" O ILE w 158 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N GLY w 163 " --> pdb=" O PHE w 159 " (cutoff:3.500A) Processing helix chain 'w' and resid 173 through 181 removed outlier: 3.775A pdb=" N ILE w 178 " --> pdb=" O THR w 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN w 179 " --> pdb=" O ASP w 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE w 180 " --> pdb=" O ARG w 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU w 181 " --> pdb=" O TRP w 177 " (cutoff:3.500A) Processing helix chain 'w' and resid 183 through 192 removed outlier: 4.827A pdb=" N VAL w 187 " --> pdb=" O GLU w 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG w 192 " --> pdb=" O GLU w 188 " (cutoff:3.500A) Processing helix chain 'x' and resid 12 through 31 removed outlier: 3.650A pdb=" N ILE x 19 " --> pdb=" O GLN x 15 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ASP x 20 " --> pdb=" O TRP x 16 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ASN x 21 " --> pdb=" O GLN x 17 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N ARG x 22 " --> pdb=" O GLU x 18 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N ALA x 23 " --> pdb=" O ILE x 19 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ILE x 26 " --> pdb=" O ARG x 22 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS x 28 " --> pdb=" O ARG x 24 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N THR x 29 " --> pdb=" O GLU x 25 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N LEU x 31 " --> pdb=" O PHE x 27 " (cutoff:3.500A) Processing helix chain 'x' and resid 85 through 95 removed outlier: 3.811A pdb=" N ASN x 91 " --> pdb=" O TRP x 87 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N LEU x 92 " --> pdb=" O GLU x 88 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N GLU x 93 " --> pdb=" O LEU x 89 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ARG x 94 " --> pdb=" O ASP x 90 " (cutoff:3.500A) Processing helix chain 'x' and resid 101 through 121 removed outlier: 4.497A pdb=" N GLU x 105 " --> pdb=" O LEU x 101 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N GLU x 106 " --> pdb=" O SER x 102 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR x 107 " --> pdb=" O SER x 103 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ALA x 112 " --> pdb=" O VAL x 108 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N GLU x 113 " --> pdb=" O ARG x 109 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N PHE x 114 " --> pdb=" O LYS x 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLU x 115 " --> pdb=" O VAL x 111 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASP x 116 " --> pdb=" O ALA x 112 " (cutoff:3.500A) Processing helix chain 'x' and resid 144 through 163 removed outlier: 3.694A pdb=" N LEU x 148 " --> pdb=" O THR x 144 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N LEU x 149 " --> pdb=" O PRO x 145 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU x 156 " --> pdb=" O ILE x 152 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N SER x 157 " --> pdb=" O VAL x 153 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N ILE x 158 " --> pdb=" O ARG x 154 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N PHE x 159 " --> pdb=" O ALA x 155 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N SER x 160 " --> pdb=" O LEU x 156 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS x 161 " --> pdb=" O SER x 157 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ASP x 162 " --> pdb=" O ILE x 158 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N GLY x 163 " --> pdb=" O PHE x 159 " (cutoff:3.500A) Processing helix chain 'x' and resid 173 through 181 removed outlier: 3.775A pdb=" N ILE x 178 " --> pdb=" O THR x 174 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ASN x 179 " --> pdb=" O ASP x 175 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N PHE x 180 " --> pdb=" O ARG x 176 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU x 181 " --> pdb=" O TRP x 177 " (cutoff:3.500A) Processing helix chain 'x' and resid 183 through 192 removed outlier: 4.826A pdb=" N VAL x 187 " --> pdb=" O GLU x 183 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N ARG x 192 " --> pdb=" O GLU x 188 " (cutoff:3.500A) Processing sheet with id= 1, first strand: chain 'A' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU A 219 " --> pdb=" O GLU A 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP A 214 " --> pdb=" O VAL A 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR A 242 " --> pdb=" O GLY A 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU A 241 " --> pdb=" O LEU A 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE A 245 " --> pdb=" O PRO A 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL A 247 " --> pdb=" O SER A 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER A 72 " --> pdb=" O VAL A 247 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'A' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG A 137 " --> pdb=" O LEU A 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS A 141 " --> pdb=" O LYS A 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA A 252 " --> pdb=" O SER A 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA A 205 " --> pdb=" O LEU A 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG A 236 " --> pdb=" O GLU A 228 " (cutoff:3.500A) Processing sheet with id= 4, first strand: chain 'B' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU B 219 " --> pdb=" O GLU B 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP B 214 " --> pdb=" O VAL B 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR B 242 " --> pdb=" O GLY B 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU B 241 " --> pdb=" O LEU B 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE B 245 " --> pdb=" O PRO B 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL B 247 " --> pdb=" O SER B 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER B 72 " --> pdb=" O VAL B 247 " (cutoff:3.500A) Processing sheet with id= 5, first strand: chain 'B' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG B 137 " --> pdb=" O LEU B 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS B 141 " --> pdb=" O LYS B 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA B 252 " --> pdb=" O SER B 209 " (cutoff:3.500A) removed outlier: 3.964A pdb=" N ALA B 205 " --> pdb=" O LEU B 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG B 236 " --> pdb=" O GLU B 228 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'C' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU C 219 " --> pdb=" O GLU C 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP C 214 " --> pdb=" O VAL C 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR C 242 " --> pdb=" O GLY C 220 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N GLU C 241 " --> pdb=" O LEU C 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE C 245 " --> pdb=" O PRO C 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL C 247 " --> pdb=" O SER C 72 " (cutoff:3.500A) removed outlier: 14.114A pdb=" N SER C 72 " --> pdb=" O VAL C 247 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'C' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG C 137 " --> pdb=" O LEU C 253 " (cutoff:3.500A) removed outlier: 5.920A pdb=" N CYS C 141 " --> pdb=" O LYS C 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA C 252 " --> pdb=" O SER C 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA C 205 " --> pdb=" O LEU C 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG C 236 " --> pdb=" O GLU C 228 " (cutoff:3.500A) Processing sheet with id= 10, first strand: chain 'D' and resid 37 through 40 removed outlier: 3.802A pdb=" N LEU D 219 " --> pdb=" O GLU D 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP D 214 " --> pdb=" O VAL D 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR D 242 " --> pdb=" O GLY D 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU D 241 " --> pdb=" O LEU D 78 " (cutoff:3.500A) removed outlier: 7.121A pdb=" N PHE D 245 " --> pdb=" O PRO D 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL D 247 " --> pdb=" O SER D 72 " (cutoff:3.500A) removed outlier: 14.114A pdb=" N SER D 72 " --> pdb=" O VAL D 247 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'D' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG D 137 " --> pdb=" O LEU D 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS D 141 " --> pdb=" O LYS D 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA D 252 " --> pdb=" O SER D 209 " (cutoff:3.500A) removed outlier: 3.964A pdb=" N ALA D 205 " --> pdb=" O LEU D 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.154A pdb=" N ARG D 236 " --> pdb=" O GLU D 228 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'E' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU E 219 " --> pdb=" O GLU E 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP E 214 " --> pdb=" O VAL E 248 " (cutoff:3.500A) removed outlier: 6.851A pdb=" N THR E 242 " --> pdb=" O GLY E 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU E 241 " --> pdb=" O LEU E 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE E 245 " --> pdb=" O PRO E 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL E 247 " --> pdb=" O SER E 72 " (cutoff:3.500A) removed outlier: 14.114A pdb=" N SER E 72 " --> pdb=" O VAL E 247 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'E' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG E 137 " --> pdb=" O LEU E 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS E 141 " --> pdb=" O LYS E 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA E 252 " --> pdb=" O SER E 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA E 205 " --> pdb=" O LEU E 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.154A pdb=" N ARG E 236 " --> pdb=" O GLU E 228 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'F' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU F 219 " --> pdb=" O GLU F 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP F 214 " --> pdb=" O VAL F 248 " (cutoff:3.500A) removed outlier: 6.851A pdb=" N THR F 242 " --> pdb=" O GLY F 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU F 241 " --> pdb=" O LEU F 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE F 245 " --> pdb=" O PRO F 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL F 247 " --> pdb=" O SER F 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER F 72 " --> pdb=" O VAL F 247 " (cutoff:3.500A) Processing sheet with id= 17, first strand: chain 'F' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG F 137 " --> pdb=" O LEU F 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS F 141 " --> pdb=" O LYS F 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA F 252 " --> pdb=" O SER F 209 " (cutoff:3.500A) removed outlier: 3.964A pdb=" N ALA F 205 " --> pdb=" O LEU F 256 " (cutoff:3.500A) removed outlier: 3.922A 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: 7.155A pdb=" N ARG F 236 " --> pdb=" O GLU F 228 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'G' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU G 219 " --> pdb=" O GLU G 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP G 214 " --> pdb=" O VAL G 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR G 242 " --> pdb=" O GLY G 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU G 241 " --> pdb=" O LEU G 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE G 245 " --> pdb=" O PRO G 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL G 247 " --> pdb=" O SER G 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER G 72 " --> pdb=" O VAL G 247 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'G' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG G 137 " --> pdb=" O LEU G 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS G 141 " --> pdb=" O LYS G 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA G 252 " --> pdb=" O SER G 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA G 205 " --> pdb=" O LEU G 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG G 236 " --> pdb=" O GLU G 228 " (cutoff:3.500A) Processing sheet with id= 22, first strand: chain 'H' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU H 219 " --> pdb=" O GLU H 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP H 214 " --> pdb=" O VAL H 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR H 242 " --> pdb=" O GLY H 220 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N GLU H 241 " --> pdb=" O LEU H 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE H 245 " --> pdb=" O PRO H 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL H 247 " --> pdb=" O SER H 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER H 72 " --> pdb=" O VAL H 247 " (cutoff:3.500A) Processing sheet with id= 23, first strand: chain 'H' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG H 137 " --> pdb=" O LEU H 253 " (cutoff:3.500A) removed outlier: 5.920A pdb=" N CYS H 141 " --> pdb=" O LYS H 257 " (cutoff:3.500A) removed outlier: 7.128A pdb=" N ALA H 252 " --> pdb=" O SER H 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA H 205 " --> pdb=" O LEU H 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.154A pdb=" N ARG H 236 " --> pdb=" O GLU H 228 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'I' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU I 219 " --> pdb=" O GLU I 40 " (cutoff:3.500A) removed outlier: 7.776A pdb=" N ASP I 214 " --> pdb=" O VAL I 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR I 242 " --> pdb=" O GLY I 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU I 241 " --> pdb=" O LEU I 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE I 245 " --> pdb=" O PRO I 74 " (cutoff:3.500A) removed outlier: 12.751A pdb=" N VAL I 247 " --> pdb=" O SER I 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER I 72 " --> pdb=" O VAL I 247 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'I' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG I 137 " --> pdb=" O LEU I 253 " (cutoff:3.500A) removed outlier: 5.922A pdb=" N CYS I 141 " --> pdb=" O LYS I 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA I 252 " --> pdb=" O SER I 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA I 205 " --> pdb=" O LEU I 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.154A pdb=" N ARG I 236 " --> pdb=" O GLU I 228 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 'J' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU J 219 " --> pdb=" O GLU J 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP J 214 " --> pdb=" O VAL J 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR J 242 " --> pdb=" O GLY J 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU J 241 " --> pdb=" O LEU J 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE J 245 " --> pdb=" O PRO J 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL J 247 " --> pdb=" O SER J 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER J 72 " --> pdb=" O VAL J 247 " (cutoff:3.500A) Processing sheet with id= 29, first strand: chain 'J' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG J 137 " --> pdb=" O LEU J 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS J 141 " --> pdb=" O LYS J 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA J 252 " --> pdb=" O SER J 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA J 205 " --> pdb=" O LEU J 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.154A pdb=" N ARG J 236 " --> pdb=" O GLU J 228 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'K' and resid 37 through 40 removed outlier: 3.804A pdb=" N LEU K 219 " --> pdb=" O GLU K 40 " (cutoff:3.500A) removed outlier: 7.776A pdb=" N ASP K 214 " --> pdb=" O VAL K 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR K 242 " --> pdb=" O GLY K 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU K 241 " --> pdb=" O LEU K 78 " (cutoff:3.500A) removed outlier: 7.121A pdb=" N PHE K 245 " --> pdb=" O PRO K 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL K 247 " --> pdb=" O SER K 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER K 72 " --> pdb=" O VAL K 247 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain 'K' and resid 137 through 141 removed outlier: 6.047A pdb=" N ARG K 137 " --> pdb=" O LEU K 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS K 141 " --> pdb=" O LYS K 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA K 252 " --> pdb=" O SER K 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA K 205 " --> pdb=" O LEU K 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG K 236 " --> pdb=" O GLU K 228 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain 'L' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU L 219 " --> pdb=" O GLU L 40 " (cutoff:3.500A) removed outlier: 7.776A pdb=" N ASP L 214 " --> pdb=" O VAL L 248 " (cutoff:3.500A) removed outlier: 6.851A pdb=" N THR L 242 " --> pdb=" O GLY L 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU L 241 " --> pdb=" O LEU L 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE L 245 " --> pdb=" O PRO L 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL L 247 " --> pdb=" O SER L 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER L 72 " --> pdb=" O VAL L 247 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'L' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG L 137 " --> pdb=" O LEU L 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS L 141 " --> pdb=" O LYS L 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA L 252 " --> pdb=" O SER L 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA L 205 " --> pdb=" O LEU L 256 " (cutoff:3.500A) removed outlier: 3.922A 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: 7.154A pdb=" N ARG L 236 " --> pdb=" O GLU L 228 " (cutoff:3.500A) Processing sheet with id= 37, first strand: chain 'M' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU M 219 " --> pdb=" O GLU M 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP M 214 " --> pdb=" O VAL M 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR M 242 " --> pdb=" O GLY M 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU M 241 " --> pdb=" O LEU M 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE M 245 " --> pdb=" O PRO M 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL M 247 " --> pdb=" O SER M 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER M 72 " --> pdb=" O VAL M 247 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'M' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG M 137 " --> pdb=" O LEU M 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS M 141 " --> pdb=" O LYS M 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA M 252 " --> pdb=" O SER M 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA M 205 " --> pdb=" O LEU M 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG M 236 " --> pdb=" O GLU M 228 " (cutoff:3.500A) Processing sheet with id= 40, first strand: chain 'N' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU N 219 " --> pdb=" O GLU N 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP N 214 " --> pdb=" O VAL N 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR N 242 " --> pdb=" O GLY N 220 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N GLU N 241 " --> pdb=" O LEU N 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE N 245 " --> pdb=" O PRO N 74 " (cutoff:3.500A) removed outlier: 12.751A pdb=" N VAL N 247 " --> pdb=" O SER N 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER N 72 " --> pdb=" O VAL N 247 " (cutoff:3.500A) Processing sheet with id= 41, first strand: chain 'N' and resid 137 through 141 removed outlier: 6.047A pdb=" N ARG N 137 " --> pdb=" O LEU N 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS N 141 " --> pdb=" O LYS N 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA N 252 " --> pdb=" O SER N 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA N 205 " --> pdb=" O LEU N 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.154A pdb=" N ARG N 236 " --> pdb=" O GLU N 228 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'O' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU O 219 " --> pdb=" O GLU O 40 " (cutoff:3.500A) removed outlier: 7.776A pdb=" N ASP O 214 " --> pdb=" O VAL O 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR O 242 " --> pdb=" O GLY O 220 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N GLU O 241 " --> pdb=" O LEU O 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE O 245 " --> pdb=" O PRO O 74 " (cutoff:3.500A) removed outlier: 12.751A pdb=" N VAL O 247 " --> pdb=" O SER O 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER O 72 " --> pdb=" O VAL O 247 " (cutoff:3.500A) Processing sheet with id= 44, first strand: chain 'O' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG O 137 " --> pdb=" O LEU O 253 " (cutoff:3.500A) removed outlier: 5.920A pdb=" N CYS O 141 " --> pdb=" O LYS O 257 " (cutoff:3.500A) removed outlier: 7.126A pdb=" N ALA O 252 " --> pdb=" O SER O 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA O 205 " --> pdb=" O LEU O 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.154A pdb=" N ARG O 236 " --> pdb=" O GLU O 228 " (cutoff:3.500A) Processing sheet with id= 46, first strand: chain 'P' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU P 219 " --> pdb=" O GLU P 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP P 214 " --> pdb=" O VAL P 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR P 242 " --> pdb=" O GLY P 220 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N GLU P 241 " --> pdb=" O LEU P 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE P 245 " --> pdb=" O PRO P 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL P 247 " --> pdb=" O SER P 72 " (cutoff:3.500A) removed outlier: 14.114A pdb=" N SER P 72 " --> pdb=" O VAL P 247 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'P' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG P 137 " --> pdb=" O LEU P 253 " (cutoff:3.500A) removed outlier: 5.920A pdb=" N CYS P 141 " --> pdb=" O LYS P 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA P 252 " --> pdb=" O SER P 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA P 205 " --> pdb=" O LEU P 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.154A pdb=" N ARG P 236 " --> pdb=" O GLU P 228 " (cutoff:3.500A) Processing sheet with id= 49, first strand: chain 'Q' and resid 37 through 40 removed outlier: 3.802A pdb=" N LEU Q 219 " --> pdb=" O GLU Q 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP Q 214 " --> pdb=" O VAL Q 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR Q 242 " --> pdb=" O GLY Q 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU Q 241 " --> pdb=" O LEU Q 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE Q 245 " --> pdb=" O PRO Q 74 " (cutoff:3.500A) removed outlier: 12.751A pdb=" N VAL Q 247 " --> pdb=" O SER Q 72 " (cutoff:3.500A) removed outlier: 14.114A pdb=" N SER Q 72 " --> pdb=" O VAL Q 247 " (cutoff:3.500A) Processing sheet with id= 50, first strand: chain 'Q' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG Q 137 " --> pdb=" O LEU Q 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS Q 141 " --> pdb=" O LYS Q 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA Q 252 " --> pdb=" O SER Q 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA Q 205 " --> pdb=" O LEU Q 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG Q 236 " --> pdb=" O GLU Q 228 " (cutoff:3.500A) Processing sheet with id= 52, first strand: chain 'R' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU R 219 " --> pdb=" O GLU R 40 " (cutoff:3.500A) removed outlier: 7.776A pdb=" N ASP R 214 " --> pdb=" O VAL R 248 " (cutoff:3.500A) removed outlier: 6.851A pdb=" N THR R 242 " --> pdb=" O GLY R 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU R 241 " --> pdb=" O LEU R 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE R 245 " --> pdb=" O PRO R 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL R 247 " --> pdb=" O SER R 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER R 72 " --> pdb=" O VAL R 247 " (cutoff:3.500A) Processing sheet with id= 53, first strand: chain 'R' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG R 137 " --> pdb=" O LEU R 253 " (cutoff:3.500A) removed outlier: 5.920A pdb=" N CYS R 141 " --> pdb=" O LYS R 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA R 252 " --> pdb=" O SER R 209 " (cutoff:3.500A) removed outlier: 3.964A pdb=" N ALA R 205 " --> pdb=" O LEU R 256 " (cutoff:3.500A) removed outlier: 3.922A 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: 7.155A pdb=" N ARG R 236 " --> pdb=" O GLU R 228 " (cutoff:3.500A) Processing sheet with id= 55, first strand: chain 'S' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU S 219 " --> pdb=" O GLU S 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP S 214 " --> pdb=" O VAL S 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR S 242 " --> pdb=" O GLY S 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU S 241 " --> pdb=" O LEU S 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE S 245 " --> pdb=" O PRO S 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL S 247 " --> pdb=" O SER S 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER S 72 " --> pdb=" O VAL S 247 " (cutoff:3.500A) Processing sheet with id= 56, first strand: chain 'S' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG S 137 " --> pdb=" O LEU S 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS S 141 " --> pdb=" O LYS S 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA S 252 " --> pdb=" O SER S 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA S 205 " --> pdb=" O LEU S 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG S 236 " --> pdb=" O GLU S 228 " (cutoff:3.500A) Processing sheet with id= 58, first strand: chain 'T' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU T 219 " --> pdb=" O GLU T 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP T 214 " --> pdb=" O VAL T 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR T 242 " --> pdb=" O GLY T 220 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N GLU T 241 " --> pdb=" O LEU T 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE T 245 " --> pdb=" O PRO T 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL T 247 " --> pdb=" O SER T 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER T 72 " --> pdb=" O VAL T 247 " (cutoff:3.500A) Processing sheet with id= 59, first strand: chain 'T' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG T 137 " --> pdb=" O LEU T 253 " (cutoff:3.500A) removed outlier: 5.920A pdb=" N CYS T 141 " --> pdb=" O LYS T 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA T 252 " --> pdb=" O SER T 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA T 205 " --> pdb=" O LEU T 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG T 236 " --> pdb=" O GLU T 228 " (cutoff:3.500A) Processing sheet with id= 61, first strand: chain 'U' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU U 219 " --> pdb=" O GLU U 40 " (cutoff:3.500A) removed outlier: 7.776A pdb=" N ASP U 214 " --> pdb=" O VAL U 248 " (cutoff:3.500A) removed outlier: 6.851A pdb=" N THR U 242 " --> pdb=" O GLY U 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU U 241 " --> pdb=" O LEU U 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE U 245 " --> pdb=" O PRO U 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL U 247 " --> pdb=" O SER U 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER U 72 " --> pdb=" O VAL U 247 " (cutoff:3.500A) Processing sheet with id= 62, first strand: chain 'U' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG U 137 " --> pdb=" O LEU U 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS U 141 " --> pdb=" O LYS U 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA U 252 " --> pdb=" O SER U 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA U 205 " --> pdb=" O LEU U 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG U 236 " --> pdb=" O GLU U 228 " (cutoff:3.500A) Processing sheet with id= 64, first strand: chain 'V' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU V 219 " --> pdb=" O GLU V 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP V 214 " --> pdb=" O VAL V 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR V 242 " --> pdb=" O GLY V 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU V 241 " --> pdb=" O LEU V 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE V 245 " --> pdb=" O PRO V 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL V 247 " --> pdb=" O SER V 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER V 72 " --> pdb=" O VAL V 247 " (cutoff:3.500A) Processing sheet with id= 65, first strand: chain 'V' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG V 137 " --> pdb=" O LEU V 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS V 141 " --> pdb=" O LYS V 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA V 252 " --> pdb=" O SER V 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA V 205 " --> pdb=" O LEU V 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG V 236 " --> pdb=" O GLU V 228 " (cutoff:3.500A) Processing sheet with id= 67, first strand: chain 'W' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU W 219 " --> pdb=" O GLU W 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP W 214 " --> pdb=" O VAL W 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR W 242 " --> pdb=" O GLY W 220 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N GLU W 241 " --> pdb=" O LEU W 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE W 245 " --> pdb=" O PRO W 74 " (cutoff:3.500A) removed outlier: 12.751A pdb=" N VAL W 247 " --> pdb=" O SER W 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER W 72 " --> pdb=" O VAL W 247 " (cutoff:3.500A) Processing sheet with id= 68, first strand: chain 'W' and resid 137 through 141 removed outlier: 6.047A pdb=" N ARG W 137 " --> pdb=" O LEU W 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS W 141 " --> pdb=" O LYS W 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA W 252 " --> pdb=" O SER W 209 " (cutoff:3.500A) removed outlier: 3.964A pdb=" N ALA W 205 " --> pdb=" O LEU W 256 " (cutoff:3.500A) removed outlier: 3.922A 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: 7.154A pdb=" N ARG W 236 " --> pdb=" O GLU W 228 " (cutoff:3.500A) Processing sheet with id= 70, first strand: chain 'X' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU X 219 " --> pdb=" O GLU X 40 " (cutoff:3.500A) removed outlier: 7.776A pdb=" N ASP X 214 " --> pdb=" O VAL X 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR X 242 " --> pdb=" O GLY X 220 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N GLU X 241 " --> pdb=" O LEU X 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE X 245 " --> pdb=" O PRO X 74 " (cutoff:3.500A) removed outlier: 12.751A pdb=" N VAL X 247 " --> pdb=" O SER X 72 " (cutoff:3.500A) removed outlier: 14.114A pdb=" N SER X 72 " --> pdb=" O VAL X 247 " (cutoff:3.500A) Processing sheet with id= 71, first strand: chain 'X' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG X 137 " --> pdb=" O LEU X 253 " (cutoff:3.500A) removed outlier: 5.920A pdb=" N CYS X 141 " --> pdb=" O LYS X 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA X 252 " --> pdb=" O SER X 209 " (cutoff:3.500A) removed outlier: 3.964A pdb=" N ALA X 205 " --> pdb=" O LEU X 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG X 236 " --> pdb=" O GLU X 228 " (cutoff:3.500A) Processing sheet with id= 73, first strand: chain 'Y' and resid 37 through 40 removed outlier: 3.804A pdb=" N LEU Y 219 " --> pdb=" O GLU Y 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP Y 214 " --> pdb=" O VAL Y 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR Y 242 " --> pdb=" O GLY Y 220 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N GLU Y 241 " --> pdb=" O LEU Y 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE Y 245 " --> pdb=" O PRO Y 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL Y 247 " --> pdb=" O SER Y 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER Y 72 " --> pdb=" O VAL Y 247 " (cutoff:3.500A) Processing sheet with id= 74, first strand: chain 'Y' and resid 137 through 141 removed outlier: 6.047A pdb=" N ARG Y 137 " --> pdb=" O LEU Y 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS Y 141 " --> pdb=" O LYS Y 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA Y 252 " --> pdb=" O SER Y 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA Y 205 " --> pdb=" O LEU Y 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.154A pdb=" N ARG Y 236 " --> pdb=" O GLU Y 228 " (cutoff:3.500A) Processing sheet with id= 76, first strand: chain 'Z' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU Z 219 " --> pdb=" O GLU Z 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP Z 214 " --> pdb=" O VAL Z 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR Z 242 " --> pdb=" O GLY Z 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU Z 241 " --> pdb=" O LEU Z 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE Z 245 " --> pdb=" O PRO Z 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL Z 247 " --> pdb=" O SER Z 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER Z 72 " --> pdb=" O VAL Z 247 " (cutoff:3.500A) Processing sheet with id= 77, first strand: chain 'Z' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG Z 137 " --> pdb=" O LEU Z 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS Z 141 " --> pdb=" O LYS Z 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA Z 252 " --> pdb=" O SER Z 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA Z 205 " --> pdb=" O LEU Z 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG Z 236 " --> pdb=" O GLU Z 228 " (cutoff:3.500A) Processing sheet with id= 79, first strand: chain '0' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU 0 219 " --> pdb=" O GLU 0 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP 0 214 " --> pdb=" O VAL 0 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR 0 242 " --> pdb=" O GLY 0 220 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N GLU 0 241 " --> pdb=" O LEU 0 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE 0 245 " --> pdb=" O PRO 0 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL 0 247 " --> pdb=" O SER 0 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER 0 72 " --> pdb=" O VAL 0 247 " (cutoff:3.500A) Processing sheet with id= 80, first strand: chain '0' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG 0 137 " --> pdb=" O LEU 0 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS 0 141 " --> pdb=" O LYS 0 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA 0 252 " --> pdb=" O SER 0 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA 0 205 " --> pdb=" O LEU 0 256 " (cutoff:3.500A) removed outlier: 3.922A 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: 7.154A pdb=" N ARG 0 236 " --> pdb=" O GLU 0 228 " (cutoff:3.500A) Processing sheet with id= 82, first strand: chain '1' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU 1 219 " --> pdb=" O GLU 1 40 " (cutoff:3.500A) removed outlier: 7.776A pdb=" N ASP 1 214 " --> pdb=" O VAL 1 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR 1 242 " --> pdb=" O GLY 1 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU 1 241 " --> pdb=" O LEU 1 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE 1 245 " --> pdb=" O PRO 1 74 " (cutoff:3.500A) removed outlier: 12.751A pdb=" N VAL 1 247 " --> pdb=" O SER 1 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER 1 72 " --> pdb=" O VAL 1 247 " (cutoff:3.500A) Processing sheet with id= 83, first strand: chain '1' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG 1 137 " --> pdb=" O LEU 1 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS 1 141 " --> pdb=" O LYS 1 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA 1 252 " --> pdb=" O SER 1 209 " (cutoff:3.500A) removed outlier: 3.964A pdb=" N ALA 1 205 " --> pdb=" O LEU 1 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG 1 236 " --> pdb=" O GLU 1 228 " (cutoff:3.500A) Processing sheet with id= 85, first strand: chain '2' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU 2 219 " --> pdb=" O GLU 2 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP 2 214 " --> pdb=" O VAL 2 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR 2 242 " --> pdb=" O GLY 2 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU 2 241 " --> pdb=" O LEU 2 78 " (cutoff:3.500A) removed outlier: 7.121A pdb=" N PHE 2 245 " --> pdb=" O PRO 2 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL 2 247 " --> pdb=" O SER 2 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER 2 72 " --> pdb=" O VAL 2 247 " (cutoff:3.500A) Processing sheet with id= 86, first strand: chain '2' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG 2 137 " --> pdb=" O LEU 2 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS 2 141 " --> pdb=" O LYS 2 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA 2 252 " --> pdb=" O SER 2 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA 2 205 " --> pdb=" O LEU 2 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.154A pdb=" N ARG 2 236 " --> pdb=" O GLU 2 228 " (cutoff:3.500A) Processing sheet with id= 88, first strand: chain '3' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU 3 219 " --> pdb=" O GLU 3 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP 3 214 " --> pdb=" O VAL 3 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR 3 242 " --> pdb=" O GLY 3 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU 3 241 " --> pdb=" O LEU 3 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE 3 245 " --> pdb=" O PRO 3 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL 3 247 " --> pdb=" O SER 3 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER 3 72 " --> pdb=" O VAL 3 247 " (cutoff:3.500A) Processing sheet with id= 89, first strand: chain '3' and resid 137 through 141 removed outlier: 6.045A pdb=" N ARG 3 137 " --> pdb=" O LEU 3 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS 3 141 " --> pdb=" O LYS 3 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA 3 252 " --> pdb=" O SER 3 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA 3 205 " --> pdb=" O LEU 3 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG 3 236 " --> pdb=" O GLU 3 228 " (cutoff:3.500A) Processing sheet with id= 91, first strand: chain '4' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU 4 219 " --> pdb=" O GLU 4 40 " (cutoff:3.500A) removed outlier: 7.776A pdb=" N ASP 4 214 " --> pdb=" O VAL 4 248 " (cutoff:3.500A) removed outlier: 6.853A pdb=" N THR 4 242 " --> pdb=" O GLY 4 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU 4 241 " --> pdb=" O LEU 4 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE 4 245 " --> pdb=" O PRO 4 74 " (cutoff:3.500A) removed outlier: 12.751A pdb=" N VAL 4 247 " --> pdb=" O SER 4 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER 4 72 " --> pdb=" O VAL 4 247 " (cutoff:3.500A) Processing sheet with id= 92, first strand: chain '4' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG 4 137 " --> pdb=" O LEU 4 253 " (cutoff:3.500A) removed outlier: 5.920A pdb=" N CYS 4 141 " --> pdb=" O LYS 4 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA 4 252 " --> pdb=" O SER 4 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA 4 205 " --> pdb=" O LEU 4 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG 4 236 " --> pdb=" O GLU 4 228 " (cutoff:3.500A) Processing sheet with id= 94, first strand: chain '5' and resid 37 through 40 removed outlier: 3.804A pdb=" N LEU 5 219 " --> pdb=" O GLU 5 40 " (cutoff:3.500A) removed outlier: 7.776A pdb=" N ASP 5 214 " --> pdb=" O VAL 5 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR 5 242 " --> pdb=" O GLY 5 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU 5 241 " --> pdb=" O LEU 5 78 " (cutoff:3.500A) removed outlier: 7.121A pdb=" N PHE 5 245 " --> pdb=" O PRO 5 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL 5 247 " --> pdb=" O SER 5 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER 5 72 " --> pdb=" O VAL 5 247 " (cutoff:3.500A) Processing sheet with id= 95, first strand: chain '5' and resid 137 through 141 removed outlier: 6.047A pdb=" N ARG 5 137 " --> pdb=" O LEU 5 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS 5 141 " --> pdb=" O LYS 5 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA 5 252 " --> pdb=" O SER 5 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA 5 205 " --> pdb=" O LEU 5 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG 5 236 " --> pdb=" O GLU 5 228 " (cutoff:3.500A) Processing sheet with id= 97, first strand: chain '6' and resid 37 through 40 removed outlier: 3.802A pdb=" N LEU 6 219 " --> pdb=" O GLU 6 40 " (cutoff:3.500A) removed outlier: 7.776A pdb=" N ASP 6 214 " --> pdb=" O VAL 6 248 " (cutoff:3.500A) removed outlier: 6.851A pdb=" N THR 6 242 " --> pdb=" O GLY 6 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU 6 241 " --> pdb=" O LEU 6 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE 6 245 " --> pdb=" O PRO 6 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL 6 247 " --> pdb=" O SER 6 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER 6 72 " --> pdb=" O VAL 6 247 " (cutoff:3.500A) Processing sheet with id= 98, first strand: chain '6' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG 6 137 " --> pdb=" O LEU 6 253 " (cutoff:3.500A) removed outlier: 5.922A pdb=" N CYS 6 141 " --> pdb=" O LYS 6 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA 6 252 " --> pdb=" O SER 6 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA 6 205 " --> pdb=" O LEU 6 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG 6 236 " --> pdb=" O GLU 6 228 " (cutoff:3.500A) Processing sheet with id=100, first strand: chain '7' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU 7 219 " --> pdb=" O GLU 7 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP 7 214 " --> pdb=" O VAL 7 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR 7 242 " --> pdb=" O GLY 7 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU 7 241 " --> pdb=" O LEU 7 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE 7 245 " --> pdb=" O PRO 7 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL 7 247 " --> pdb=" O SER 7 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER 7 72 " --> pdb=" O VAL 7 247 " (cutoff:3.500A) Processing sheet with id=101, first strand: chain '7' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG 7 137 " --> pdb=" O LEU 7 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS 7 141 " --> pdb=" O LYS 7 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA 7 252 " --> pdb=" O SER 7 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA 7 205 " --> pdb=" O LEU 7 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG 7 236 " --> pdb=" O GLU 7 228 " (cutoff:3.500A) Processing sheet with id=103, first strand: chain '8' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU 8 219 " --> pdb=" O GLU 8 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP 8 214 " --> pdb=" O VAL 8 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR 8 242 " --> pdb=" O GLY 8 220 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N GLU 8 241 " --> pdb=" O LEU 8 78 " (cutoff:3.500A) removed outlier: 7.121A pdb=" N PHE 8 245 " --> pdb=" O PRO 8 74 " (cutoff:3.500A) removed outlier: 12.751A pdb=" N VAL 8 247 " --> pdb=" O SER 8 72 " (cutoff:3.500A) removed outlier: 14.114A pdb=" N SER 8 72 " --> pdb=" O VAL 8 247 " (cutoff:3.500A) Processing sheet with id=104, first strand: chain '8' and resid 137 through 141 removed outlier: 6.047A pdb=" N ARG 8 137 " --> pdb=" O LEU 8 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS 8 141 " --> pdb=" O LYS 8 257 " (cutoff:3.500A) removed outlier: 7.128A pdb=" N ALA 8 252 " --> pdb=" O SER 8 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA 8 205 " --> pdb=" O LEU 8 256 " (cutoff:3.500A) removed outlier: 3.922A 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: 7.154A pdb=" N ARG 8 236 " --> pdb=" O GLU 8 228 " (cutoff:3.500A) Processing sheet with id=106, first strand: chain '9' and resid 37 through 40 removed outlier: 3.804A pdb=" N LEU 9 219 " --> pdb=" O GLU 9 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP 9 214 " --> pdb=" O VAL 9 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR 9 242 " --> pdb=" O GLY 9 220 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N GLU 9 241 " --> pdb=" O LEU 9 78 " (cutoff:3.500A) removed outlier: 7.121A pdb=" N PHE 9 245 " --> pdb=" O PRO 9 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL 9 247 " --> pdb=" O SER 9 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER 9 72 " --> pdb=" O VAL 9 247 " (cutoff:3.500A) Processing sheet with id=107, first strand: chain '9' and resid 137 through 141 removed outlier: 6.047A pdb=" N ARG 9 137 " --> pdb=" O LEU 9 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS 9 141 " --> pdb=" O LYS 9 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA 9 252 " --> pdb=" O SER 9 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA 9 205 " --> pdb=" O LEU 9 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG 9 236 " --> pdb=" O GLU 9 228 " (cutoff:3.500A) Processing sheet with id=109, first strand: chain 'a' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU a 219 " --> pdb=" O GLU a 40 " (cutoff:3.500A) removed outlier: 7.776A pdb=" N ASP a 214 " --> pdb=" O VAL a 248 " (cutoff:3.500A) removed outlier: 6.851A pdb=" N THR a 242 " --> pdb=" O GLY a 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU a 241 " --> pdb=" O LEU a 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE a 245 " --> pdb=" O PRO a 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL a 247 " --> pdb=" O SER a 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER a 72 " --> pdb=" O VAL a 247 " (cutoff:3.500A) Processing sheet with id=110, first strand: chain 'a' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG a 137 " --> pdb=" O LEU a 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS a 141 " --> pdb=" O LYS a 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA a 252 " --> pdb=" O SER a 209 " (cutoff:3.500A) removed outlier: 3.966A pdb=" N ALA a 205 " --> pdb=" O LEU a 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG a 236 " --> pdb=" O GLU a 228 " (cutoff:3.500A) Processing sheet with id=112, first strand: chain 'b' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU b 219 " --> pdb=" O GLU b 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP b 214 " --> pdb=" O VAL b 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR b 242 " --> pdb=" O GLY b 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU b 241 " --> pdb=" O LEU b 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE b 245 " --> pdb=" O PRO b 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL b 247 " --> pdb=" O SER b 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER b 72 " --> pdb=" O VAL b 247 " (cutoff:3.500A) Processing sheet with id=113, first strand: chain 'b' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG b 137 " --> pdb=" O LEU b 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS b 141 " --> pdb=" O LYS b 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA b 252 " --> pdb=" O SER b 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA b 205 " --> pdb=" O LEU b 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG b 236 " --> pdb=" O GLU b 228 " (cutoff:3.500A) Processing sheet with id=115, first strand: chain 'c' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU c 219 " --> pdb=" O GLU c 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP c 214 " --> pdb=" O VAL c 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR c 242 " --> pdb=" O GLY c 220 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N GLU c 241 " --> pdb=" O LEU c 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE c 245 " --> pdb=" O PRO c 74 " (cutoff:3.500A) removed outlier: 12.751A pdb=" N VAL c 247 " --> pdb=" O SER c 72 " (cutoff:3.500A) removed outlier: 14.114A pdb=" N SER c 72 " --> pdb=" O VAL c 247 " (cutoff:3.500A) Processing sheet with id=116, first strand: chain 'c' and resid 137 through 141 removed outlier: 6.047A pdb=" N ARG c 137 " --> pdb=" O LEU c 253 " (cutoff:3.500A) removed outlier: 5.920A pdb=" N CYS c 141 " --> pdb=" O LYS c 257 " (cutoff:3.500A) removed outlier: 7.128A pdb=" N ALA c 252 " --> pdb=" O SER c 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA c 205 " --> pdb=" O LEU c 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.154A pdb=" N ARG c 236 " --> pdb=" O GLU c 228 " (cutoff:3.500A) Processing sheet with id=118, first strand: chain 'd' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU d 219 " --> pdb=" O GLU d 40 " (cutoff:3.500A) removed outlier: 7.776A pdb=" N ASP d 214 " --> pdb=" O VAL d 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR d 242 " --> pdb=" O GLY d 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU d 241 " --> pdb=" O LEU d 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE d 245 " --> pdb=" O PRO d 74 " (cutoff:3.500A) removed outlier: 12.751A pdb=" N VAL d 247 " --> pdb=" O SER d 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER d 72 " --> pdb=" O VAL d 247 " (cutoff:3.500A) Processing sheet with id=119, first strand: chain 'd' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG d 137 " --> pdb=" O LEU d 253 " (cutoff:3.500A) removed outlier: 5.920A pdb=" N CYS d 141 " --> pdb=" O LYS d 257 " (cutoff:3.500A) removed outlier: 7.126A pdb=" N ALA d 252 " --> pdb=" O SER d 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA d 205 " --> pdb=" O LEU d 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG d 236 " --> pdb=" O GLU d 228 " (cutoff:3.500A) Processing sheet with id=121, first strand: chain 'e' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU e 219 " --> pdb=" O GLU e 40 " (cutoff:3.500A) removed outlier: 7.776A pdb=" N ASP e 214 " --> pdb=" O VAL e 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR e 242 " --> pdb=" O GLY e 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU e 241 " --> pdb=" O LEU e 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE e 245 " --> pdb=" O PRO e 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL e 247 " --> pdb=" O SER e 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER e 72 " --> pdb=" O VAL e 247 " (cutoff:3.500A) Processing sheet with id=122, first strand: chain 'e' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG e 137 " --> pdb=" O LEU e 253 " (cutoff:3.500A) removed outlier: 5.920A pdb=" N CYS e 141 " --> pdb=" O LYS e 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA e 252 " --> pdb=" O SER e 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA e 205 " --> pdb=" O LEU e 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.154A pdb=" N ARG e 236 " --> pdb=" O GLU e 228 " (cutoff:3.500A) Processing sheet with id=124, first strand: chain 'f' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU f 219 " --> pdb=" O GLU f 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP f 214 " --> pdb=" O VAL f 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR f 242 " --> pdb=" O GLY f 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU f 241 " --> pdb=" O LEU f 78 " (cutoff:3.500A) removed outlier: 7.121A pdb=" N PHE f 245 " --> pdb=" O PRO f 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL f 247 " --> pdb=" O SER f 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER f 72 " --> pdb=" O VAL f 247 " (cutoff:3.500A) Processing sheet with id=125, first strand: chain 'f' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG f 137 " --> pdb=" O LEU f 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS f 141 " --> pdb=" O LYS f 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA f 252 " --> pdb=" O SER f 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA f 205 " --> pdb=" O LEU f 256 " (cutoff:3.500A) removed outlier: 3.922A 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: 7.154A pdb=" N ARG f 236 " --> pdb=" O GLU f 228 " (cutoff:3.500A) Processing sheet with id=127, first strand: chain 'g' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU g 219 " --> pdb=" O GLU g 40 " (cutoff:3.500A) removed outlier: 7.776A pdb=" N ASP g 214 " --> pdb=" O VAL g 248 " (cutoff:3.500A) removed outlier: 6.851A pdb=" N THR g 242 " --> pdb=" O GLY g 220 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N GLU g 241 " --> pdb=" O LEU g 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE g 245 " --> pdb=" O PRO g 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL g 247 " --> pdb=" O SER g 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER g 72 " --> pdb=" O VAL g 247 " (cutoff:3.500A) Processing sheet with id=128, first strand: chain 'g' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG g 137 " --> pdb=" O LEU g 253 " (cutoff:3.500A) removed outlier: 5.920A pdb=" N CYS g 141 " --> pdb=" O LYS g 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA g 252 " --> pdb=" O SER g 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA g 205 " --> pdb=" O LEU g 256 " (cutoff:3.500A) removed outlier: 3.922A 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: 7.154A pdb=" N ARG g 236 " --> pdb=" O GLU g 228 " (cutoff:3.500A) Processing sheet with id=130, first strand: chain 'h' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU h 219 " --> pdb=" O GLU h 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP h 214 " --> pdb=" O VAL h 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR h 242 " --> pdb=" O GLY h 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU h 241 " --> pdb=" O LEU h 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE h 245 " --> pdb=" O PRO h 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL h 247 " --> pdb=" O SER h 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER h 72 " --> pdb=" O VAL h 247 " (cutoff:3.500A) Processing sheet with id=131, first strand: chain 'h' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG h 137 " --> pdb=" O LEU h 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS h 141 " --> pdb=" O LYS h 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA h 252 " --> pdb=" O SER h 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA h 205 " --> pdb=" O LEU h 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG h 236 " --> pdb=" O GLU h 228 " (cutoff:3.500A) Processing sheet with id=133, first strand: chain 'i' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU i 219 " --> pdb=" O GLU i 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP i 214 " --> pdb=" O VAL i 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR i 242 " --> pdb=" O GLY i 220 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N GLU i 241 " --> pdb=" O LEU i 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE i 245 " --> pdb=" O PRO i 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL i 247 " --> pdb=" O SER i 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER i 72 " --> pdb=" O VAL i 247 " (cutoff:3.500A) Processing sheet with id=134, first strand: chain 'i' and resid 137 through 141 removed outlier: 6.047A pdb=" N ARG i 137 " --> pdb=" O LEU i 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS i 141 " --> pdb=" O LYS i 257 " (cutoff:3.500A) removed outlier: 7.128A pdb=" N ALA i 252 " --> pdb=" O SER i 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA i 205 " --> pdb=" O LEU i 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG i 236 " --> pdb=" O GLU i 228 " (cutoff:3.500A) Processing sheet with id=136, first strand: chain 'j' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU j 219 " --> pdb=" O GLU j 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP j 214 " --> pdb=" O VAL j 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR j 242 " --> pdb=" O GLY j 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU j 241 " --> pdb=" O LEU j 78 " (cutoff:3.500A) removed outlier: 7.121A pdb=" N PHE j 245 " --> pdb=" O PRO j 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL j 247 " --> pdb=" O SER j 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER j 72 " --> pdb=" O VAL j 247 " (cutoff:3.500A) Processing sheet with id=137, first strand: chain 'j' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG j 137 " --> pdb=" O LEU j 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS j 141 " --> pdb=" O LYS j 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA j 252 " --> pdb=" O SER j 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA j 205 " --> pdb=" O LEU j 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.154A pdb=" N ARG j 236 " --> pdb=" O GLU j 228 " (cutoff:3.500A) Processing sheet with id=139, first strand: chain 'k' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU k 219 " --> pdb=" O GLU k 40 " (cutoff:3.500A) removed outlier: 7.776A pdb=" N ASP k 214 " --> pdb=" O VAL k 248 " (cutoff:3.500A) removed outlier: 6.851A pdb=" N THR k 242 " --> pdb=" O GLY k 220 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N GLU k 241 " --> pdb=" O LEU k 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE k 245 " --> pdb=" O PRO k 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL k 247 " --> pdb=" O SER k 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER k 72 " --> pdb=" O VAL k 247 " (cutoff:3.500A) Processing sheet with id=140, first strand: chain 'k' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG k 137 " --> pdb=" O LEU k 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS k 141 " --> pdb=" O LYS k 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA k 252 " --> pdb=" O SER k 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA k 205 " --> pdb=" O LEU k 256 " (cutoff:3.500A) removed outlier: 3.922A 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: 7.154A pdb=" N ARG k 236 " --> pdb=" O GLU k 228 " (cutoff:3.500A) Processing sheet with id=142, first strand: chain 'l' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU l 219 " --> pdb=" O GLU l 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP l 214 " --> pdb=" O VAL l 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR l 242 " --> pdb=" O GLY l 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU l 241 " --> pdb=" O LEU l 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE l 245 " --> pdb=" O PRO l 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL l 247 " --> pdb=" O SER l 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER l 72 " --> pdb=" O VAL l 247 " (cutoff:3.500A) Processing sheet with id=143, first strand: chain 'l' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG l 137 " --> pdb=" O LEU l 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS l 141 " --> pdb=" O LYS l 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA l 252 " --> pdb=" O SER l 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA l 205 " --> pdb=" O LEU l 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG l 236 " --> pdb=" O GLU l 228 " (cutoff:3.500A) Processing sheet with id=145, first strand: chain 'm' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU m 219 " --> pdb=" O GLU m 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP m 214 " --> pdb=" O VAL m 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR m 242 " --> pdb=" O GLY m 220 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N GLU m 241 " --> pdb=" O LEU m 78 " (cutoff:3.500A) removed outlier: 7.121A pdb=" N PHE m 245 " --> pdb=" O PRO m 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL m 247 " --> pdb=" O SER m 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER m 72 " --> pdb=" O VAL m 247 " (cutoff:3.500A) Processing sheet with id=146, first strand: chain 'm' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG m 137 " --> pdb=" O LEU m 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS m 141 " --> pdb=" O LYS m 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA m 252 " --> pdb=" O SER m 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA m 205 " --> pdb=" O LEU m 256 " (cutoff:3.500A) removed outlier: 3.924A 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: 7.155A pdb=" N ARG m 236 " --> pdb=" O GLU m 228 " (cutoff:3.500A) Processing sheet with id=148, first strand: chain 'n' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU n 219 " --> pdb=" O GLU n 40 " (cutoff:3.500A) removed outlier: 7.776A pdb=" N ASP n 214 " --> pdb=" O VAL n 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR n 242 " --> pdb=" O GLY n 220 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N GLU n 241 " --> pdb=" O LEU n 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE n 245 " --> pdb=" O PRO n 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL n 247 " --> pdb=" O SER n 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER n 72 " --> pdb=" O VAL n 247 " (cutoff:3.500A) Processing sheet with id=149, first strand: chain 'n' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG n 137 " --> pdb=" O LEU n 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS n 141 " --> pdb=" O LYS n 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA n 252 " --> pdb=" O SER n 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA n 205 " --> pdb=" O LEU n 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.154A pdb=" N ARG n 236 " --> pdb=" O GLU n 228 " (cutoff:3.500A) Processing sheet with id=151, first strand: chain 'o' and resid 37 through 40 removed outlier: 3.802A pdb=" N LEU o 219 " --> pdb=" O GLU o 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP o 214 " --> pdb=" O VAL o 248 " (cutoff:3.500A) removed outlier: 6.851A pdb=" N THR o 242 " --> pdb=" O GLY o 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU o 241 " --> pdb=" O LEU o 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE o 245 " --> pdb=" O PRO o 74 " (cutoff:3.500A) removed outlier: 12.751A pdb=" N VAL o 247 " --> pdb=" O SER o 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER o 72 " --> pdb=" O VAL o 247 " (cutoff:3.500A) Processing sheet with id=152, first strand: chain 'o' and resid 137 through 141 removed outlier: 6.047A pdb=" N ARG o 137 " --> pdb=" O LEU o 253 " (cutoff:3.500A) removed outlier: 5.922A pdb=" N CYS o 141 " --> pdb=" O LYS o 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA o 252 " --> pdb=" O SER o 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA o 205 " --> pdb=" O LEU o 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.154A pdb=" N ARG o 236 " --> pdb=" O GLU o 228 " (cutoff:3.500A) Processing sheet with id=154, first strand: chain 'p' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU p 219 " --> pdb=" O GLU p 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP p 214 " --> pdb=" O VAL p 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR p 242 " --> pdb=" O GLY p 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU p 241 " --> pdb=" O LEU p 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE p 245 " --> pdb=" O PRO p 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL p 247 " --> pdb=" O SER p 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER p 72 " --> pdb=" O VAL p 247 " (cutoff:3.500A) Processing sheet with id=155, first strand: chain 'p' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG p 137 " --> pdb=" O LEU p 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS p 141 " --> pdb=" O LYS p 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA p 252 " --> pdb=" O SER p 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA p 205 " --> pdb=" O LEU p 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG p 236 " --> pdb=" O GLU p 228 " (cutoff:3.500A) Processing sheet with id=157, first strand: chain 'q' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU q 219 " --> pdb=" O GLU q 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP q 214 " --> pdb=" O VAL q 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR q 242 " --> pdb=" O GLY q 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU q 241 " --> pdb=" O LEU q 78 " (cutoff:3.500A) removed outlier: 7.121A pdb=" N PHE q 245 " --> pdb=" O PRO q 74 " (cutoff:3.500A) removed outlier: 12.751A pdb=" N VAL q 247 " --> pdb=" O SER q 72 " (cutoff:3.500A) removed outlier: 14.114A pdb=" N SER q 72 " --> pdb=" O VAL q 247 " (cutoff:3.500A) Processing sheet with id=158, first strand: chain 'q' and resid 137 through 141 removed outlier: 6.047A pdb=" N ARG q 137 " --> pdb=" O LEU q 253 " (cutoff:3.500A) removed outlier: 5.920A pdb=" N CYS q 141 " --> pdb=" O LYS q 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA q 252 " --> pdb=" O SER q 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA q 205 " --> pdb=" O LEU q 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG q 236 " --> pdb=" O GLU q 228 " (cutoff:3.500A) Processing sheet with id=160, first strand: chain 'r' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU r 219 " --> pdb=" O GLU r 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP r 214 " --> pdb=" O VAL r 248 " (cutoff:3.500A) removed outlier: 6.853A pdb=" N THR r 242 " --> pdb=" O GLY r 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU r 241 " --> pdb=" O LEU r 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE r 245 " --> pdb=" O PRO r 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL r 247 " --> pdb=" O SER r 72 " (cutoff:3.500A) removed outlier: 14.114A pdb=" N SER r 72 " --> pdb=" O VAL r 247 " (cutoff:3.500A) Processing sheet with id=161, first strand: chain 'r' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG r 137 " --> pdb=" O LEU r 253 " (cutoff:3.500A) removed outlier: 5.920A pdb=" N CYS r 141 " --> pdb=" O LYS r 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA r 252 " --> pdb=" O SER r 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA r 205 " --> pdb=" O LEU r 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG r 236 " --> pdb=" O GLU r 228 " (cutoff:3.500A) Processing sheet with id=163, first strand: chain 's' and resid 37 through 40 removed outlier: 3.802A pdb=" N LEU s 219 " --> pdb=" O GLU s 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP s 214 " --> pdb=" O VAL s 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR s 242 " --> pdb=" O GLY s 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU s 241 " --> pdb=" O LEU s 78 " (cutoff:3.500A) removed outlier: 7.121A pdb=" N PHE s 245 " --> pdb=" O PRO s 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL s 247 " --> pdb=" O SER s 72 " (cutoff:3.500A) removed outlier: 14.114A pdb=" N SER s 72 " --> pdb=" O VAL s 247 " (cutoff:3.500A) Processing sheet with id=164, first strand: chain 's' and resid 137 through 141 removed outlier: 6.047A pdb=" N ARG s 137 " --> pdb=" O LEU s 253 " (cutoff:3.500A) removed outlier: 5.920A pdb=" N CYS s 141 " --> pdb=" O LYS s 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA s 252 " --> pdb=" O SER s 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA s 205 " --> pdb=" O LEU s 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.154A pdb=" N ARG s 236 " --> pdb=" O GLU s 228 " (cutoff:3.500A) Processing sheet with id=166, first strand: chain 't' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU t 219 " --> pdb=" O GLU t 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP t 214 " --> pdb=" O VAL t 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR t 242 " --> pdb=" O GLY t 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU t 241 " --> pdb=" O LEU t 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE t 245 " --> pdb=" O PRO t 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL t 247 " --> pdb=" O SER t 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER t 72 " --> pdb=" O VAL t 247 " (cutoff:3.500A) Processing sheet with id=167, first strand: chain 't' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG t 137 " --> pdb=" O LEU t 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS t 141 " --> pdb=" O LYS t 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA t 252 " --> pdb=" O SER t 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA t 205 " --> pdb=" O LEU t 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG t 236 " --> pdb=" O GLU t 228 " (cutoff:3.500A) Processing sheet with id=169, first strand: chain 'u' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU u 219 " --> pdb=" O GLU u 40 " (cutoff:3.500A) removed outlier: 7.776A pdb=" N ASP u 214 " --> pdb=" O VAL u 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR u 242 " --> pdb=" O GLY u 220 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N GLU u 241 " --> pdb=" O LEU u 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE u 245 " --> pdb=" O PRO u 74 " (cutoff:3.500A) removed outlier: 12.751A pdb=" N VAL u 247 " --> pdb=" O SER u 72 " (cutoff:3.500A) removed outlier: 14.114A pdb=" N SER u 72 " --> pdb=" O VAL u 247 " (cutoff:3.500A) Processing sheet with id=170, first strand: chain 'u' and resid 137 through 141 removed outlier: 6.047A pdb=" N ARG u 137 " --> pdb=" O LEU u 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS u 141 " --> pdb=" O LYS u 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA u 252 " --> pdb=" O SER u 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA u 205 " --> pdb=" O LEU u 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.154A pdb=" N ARG u 236 " --> pdb=" O GLU u 228 " (cutoff:3.500A) Processing sheet with id=172, first strand: chain 'v' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU v 219 " --> pdb=" O GLU v 40 " (cutoff:3.500A) removed outlier: 7.776A pdb=" N ASP v 214 " --> pdb=" O VAL v 248 " (cutoff:3.500A) removed outlier: 6.852A pdb=" N THR v 242 " --> pdb=" O GLY v 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU v 241 " --> pdb=" O LEU v 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE v 245 " --> pdb=" O PRO v 74 " (cutoff:3.500A) removed outlier: 12.751A pdb=" N VAL v 247 " --> pdb=" O SER v 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER v 72 " --> pdb=" O VAL v 247 " (cutoff:3.500A) Processing sheet with id=173, first strand: chain 'v' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG v 137 " --> pdb=" O LEU v 253 " (cutoff:3.500A) removed outlier: 5.920A pdb=" N CYS v 141 " --> pdb=" O LYS v 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA v 252 " --> pdb=" O SER v 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA v 205 " --> pdb=" O LEU v 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG v 236 " --> pdb=" O GLU v 228 " (cutoff:3.500A) Processing sheet with id=175, first strand: chain 'w' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU w 219 " --> pdb=" O GLU w 40 " (cutoff:3.500A) removed outlier: 7.777A pdb=" N ASP w 214 " --> pdb=" O VAL w 248 " (cutoff:3.500A) removed outlier: 6.851A pdb=" N THR w 242 " --> pdb=" O GLY w 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU w 241 " --> pdb=" O LEU w 78 " (cutoff:3.500A) removed outlier: 7.121A pdb=" N PHE w 245 " --> pdb=" O PRO w 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL w 247 " --> pdb=" O SER w 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER w 72 " --> pdb=" O VAL w 247 " (cutoff:3.500A) Processing sheet with id=176, first strand: chain 'w' and resid 137 through 141 removed outlier: 6.047A pdb=" N ARG w 137 " --> pdb=" O LEU w 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS w 141 " --> pdb=" O LYS w 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA w 252 " --> pdb=" O SER w 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA w 205 " --> pdb=" O LEU w 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.154A pdb=" N ARG w 236 " --> pdb=" O GLU w 228 " (cutoff:3.500A) Processing sheet with id=178, first strand: chain 'x' and resid 37 through 40 removed outlier: 3.803A pdb=" N LEU x 219 " --> pdb=" O GLU x 40 " (cutoff:3.500A) removed outlier: 7.776A pdb=" N ASP x 214 " --> pdb=" O VAL x 248 " (cutoff:3.500A) removed outlier: 6.851A pdb=" N THR x 242 " --> pdb=" O GLY x 220 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLU x 241 " --> pdb=" O LEU x 78 " (cutoff:3.500A) removed outlier: 7.120A pdb=" N PHE x 245 " --> pdb=" O PRO x 74 " (cutoff:3.500A) removed outlier: 12.752A pdb=" N VAL x 247 " --> pdb=" O SER x 72 " (cutoff:3.500A) removed outlier: 14.115A pdb=" N SER x 72 " --> pdb=" O VAL x 247 " (cutoff:3.500A) Processing sheet with id=179, first strand: chain 'x' and resid 137 through 141 removed outlier: 6.046A pdb=" N ARG x 137 " --> pdb=" O LEU x 253 " (cutoff:3.500A) removed outlier: 5.921A pdb=" N CYS x 141 " --> pdb=" O LYS x 257 " (cutoff:3.500A) removed outlier: 7.127A pdb=" N ALA x 252 " --> pdb=" O SER x 209 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N ALA x 205 " --> pdb=" O LEU x 256 " (cutoff:3.500A) removed outlier: 3.923A 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: 7.155A pdb=" N ARG x 236 " --> pdb=" O GLU x 228 " (cutoff:3.500A) 4080 hydrogen bonds defined for protein. 12060 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: 52.20 Time building geometry restraints manager: 31.41 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: 29905 1.33 - 1.45: 25944 1.45 - 1.57: 73751 1.57 - 1.69: 0 1.69 - 1.81: 300 Bond restraints: 129900 Sorted by residual: bond pdb=" N VAL 1 55 " pdb=" CA VAL 1 55 " ideal model delta sigma weight residual 1.456 1.500 -0.044 1.14e-02 7.69e+03 1.47e+01 bond pdb=" N VAL X 55 " pdb=" CA VAL X 55 " ideal model delta sigma weight residual 1.456 1.500 -0.043 1.14e-02 7.69e+03 1.45e+01 bond pdb=" N VAL u 55 " pdb=" CA VAL u 55 " ideal model delta sigma weight residual 1.456 1.500 -0.043 1.14e-02 7.69e+03 1.45e+01 bond pdb=" N VAL T 55 " pdb=" CA VAL T 55 " ideal model delta sigma weight residual 1.456 1.500 -0.043 1.14e-02 7.69e+03 1.45e+01 bond pdb=" N VAL c 55 " pdb=" CA VAL c 55 " ideal model delta sigma weight residual 1.456 1.500 -0.043 1.14e-02 7.69e+03 1.45e+01 ... (remaining 129895 not shown) Histogram of bond angle deviations from ideal: 100.91 - 107.55: 3600 107.55 - 114.19: 71282 114.19 - 120.83: 58287 120.83 - 127.47: 41611 127.47 - 134.12: 660 Bond angle restraints: 175440 Sorted by residual: angle pdb=" N PRO C 51 " pdb=" CA PRO C 51 " pdb=" C PRO C 51 " ideal model delta sigma weight residual 111.19 121.39 -10.20 1.57e+00 4.06e-01 4.22e+01 angle pdb=" N PRO r 51 " pdb=" CA PRO r 51 " pdb=" C PRO r 51 " ideal model delta sigma weight residual 111.19 121.38 -10.19 1.57e+00 4.06e-01 4.21e+01 angle pdb=" N PRO Y 51 " pdb=" CA PRO Y 51 " pdb=" C PRO Y 51 " ideal model delta sigma weight residual 111.19 121.38 -10.19 1.57e+00 4.06e-01 4.21e+01 angle pdb=" N PRO f 51 " pdb=" CA PRO f 51 " pdb=" C PRO f 51 " ideal model delta sigma weight residual 111.19 121.38 -10.19 1.57e+00 4.06e-01 4.21e+01 angle pdb=" N PRO D 51 " pdb=" CA PRO D 51 " pdb=" C PRO D 51 " ideal model delta sigma weight residual 111.19 121.36 -10.17 1.57e+00 4.06e-01 4.20e+01 ... (remaining 175435 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 16.92: 69356 16.92 - 33.84: 6724 33.84 - 50.76: 1728 50.76 - 67.68: 552 67.68 - 84.60: 240 Dihedral angle restraints: 78600 sinusoidal: 34080 harmonic: 44520 Sorted by residual: dihedral pdb=" C ASP X 222 " pdb=" N ASP X 222 " pdb=" CA ASP X 222 " pdb=" CB ASP X 222 " ideal model delta harmonic sigma weight residual -122.60 -133.15 10.55 0 2.50e+00 1.60e-01 1.78e+01 dihedral pdb=" C ASP L 222 " pdb=" N ASP L 222 " pdb=" CA ASP L 222 " pdb=" CB ASP L 222 " ideal model delta harmonic sigma weight residual -122.60 -133.15 10.55 0 2.50e+00 1.60e-01 1.78e+01 dihedral pdb=" C ASP 4 222 " pdb=" N ASP 4 222 " pdb=" CA ASP 4 222 " pdb=" CB ASP 4 222 " ideal model delta harmonic sigma weight residual -122.60 -133.14 10.54 0 2.50e+00 1.60e-01 1.78e+01 ... (remaining 78597 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.065: 14964 0.065 - 0.129: 3454 0.129 - 0.194: 649 0.194 - 0.259: 193 0.259 - 0.324: 120 Chirality restraints: 19380 Sorted by residual: chirality pdb=" CA ASP 2 222 " pdb=" N ASP 2 222 " pdb=" C ASP 2 222 " pdb=" CB ASP 2 222 " both_signs ideal model delta sigma weight residual False 2.51 2.19 0.32 2.00e-01 2.50e+01 2.62e+00 chirality pdb=" CA ASP m 222 " pdb=" N ASP m 222 " pdb=" C ASP m 222 " pdb=" CB ASP m 222 " both_signs ideal model delta sigma weight residual False 2.51 2.19 0.32 2.00e-01 2.50e+01 2.61e+00 chirality pdb=" CA ASP H 222 " pdb=" N ASP H 222 " pdb=" C ASP H 222 " pdb=" CB ASP H 222 " both_signs ideal model delta sigma weight residual False 2.51 2.19 0.32 2.00e-01 2.50e+01 2.61e+00 ... (remaining 19377 not shown) Planarity restraints: 22320 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C THR q 199 " -0.036 5.00e-02 4.00e+02 5.48e-02 4.80e+00 pdb=" N PRO q 200 " 0.095 5.00e-02 4.00e+02 pdb=" CA PRO q 200 " -0.029 5.00e-02 4.00e+02 pdb=" CD PRO q 200 " -0.030 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C THR 8 199 " -0.036 5.00e-02 4.00e+02 5.46e-02 4.78e+00 pdb=" N PRO 8 200 " 0.095 5.00e-02 4.00e+02 pdb=" CA PRO 8 200 " -0.028 5.00e-02 4.00e+02 pdb=" CD PRO 8 200 " -0.030 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C THR C 199 " -0.036 5.00e-02 4.00e+02 5.46e-02 4.76e+00 pdb=" N PRO C 200 " 0.094 5.00e-02 4.00e+02 pdb=" CA PRO C 200 " -0.028 5.00e-02 4.00e+02 pdb=" CD PRO C 200 " -0.030 5.00e-02 4.00e+02 ... (remaining 22317 not shown) Histogram of nonbonded interaction distances: 2.44 - 2.93: 49000 2.93 - 3.42: 95300 3.42 - 3.91: 175799 3.91 - 4.41: 200503 4.41 - 4.90: 364017 Nonbonded interactions: 884619 Sorted by model distance: nonbonded pdb=" N ASP U 233 " pdb=" OD1 ASP U 233 " model vdw 2.436 2.520 nonbonded pdb=" N ASP s 233 " pdb=" OD1 ASP s 233 " model vdw 2.436 2.520 nonbonded pdb=" N ASP j 233 " pdb=" OD1 ASP j 233 " model vdw 2.436 2.520 nonbonded pdb=" N ASP 2 233 " pdb=" OD1 ASP 2 233 " model vdw 2.436 2.520 nonbonded pdb=" N ASP Q 233 " pdb=" OD1 ASP Q 233 " model vdw 2.436 2.520 ... (remaining 884614 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 individual isotropic Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 2.050 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: 0.100 Extract box with map and model: 16.310 Check model and map are aligned: 1.340 Set scattering table: 0.880 Process input model: 240.290 Find NCS groups from input model: 5.710 Set up NCS constraints: 1.530 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: 0.010 Load rotamer database and sin/cos tables:11.560 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 279.780 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8223 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 0.062 129900 Z= 0.431 Angle : 1.048 10.202 175440 Z= 0.608 Chirality : 0.065 0.324 19380 Planarity : 0.006 0.055 22320 Dihedral : 15.614 84.599 49800 Min Nonbonded Distance : 2.436 Molprobity Statistics. All-atom Clashscore : 3.47 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.54 % Favored : 96.46 % Rotamer: Outliers : 3.49 % Allowed : 9.17 % Favored : 87.34 % Cbeta Deviations : 0.42 % 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: -2.97 (0.06), residues: 15360 helix: -1.83 (0.07), residues: 4020 sheet: -0.54 (0.13), residues: 1380 loop : -2.38 (0.05), residues: 9960 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.004 0.001 TRP I 67 HIS 0.003 0.002 HIS e 50 PHE 0.011 0.002 PHE D 245 TYR 0.012 0.002 TYR C 47 ARG 0.004 0.001 ARG m 22 *********************** 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 1629 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 480 poor density : 1149 time to evaluate : 11.063 Fit side-chains REVERT: A 24 ARG cc_start: 0.8256 (ttm110) cc_final: 0.8026 (ttp-170) REVERT: A 162 ASP cc_start: 0.7996 (OUTLIER) cc_final: 0.7748 (m-30) REVERT: A 175 ASP cc_start: 0.7979 (m-30) cc_final: 0.7777 (m-30) REVERT: B 17 GLN cc_start: 0.7897 (tt0) cc_final: 0.7687 (tt0) REVERT: B 179 ASN cc_start: 0.8264 (OUTLIER) cc_final: 0.8020 (m110) REVERT: B 185 LYS cc_start: 0.7849 (mtpt) cc_final: 0.7115 (mttm) REVERT: B 257 LYS cc_start: 0.8200 (OUTLIER) cc_final: 0.7826 (tptp) REVERT: C 24 ARG cc_start: 0.8136 (ttm110) cc_final: 0.7921 (ttp-170) REVERT: C 175 ASP cc_start: 0.7777 (m-30) cc_final: 0.7538 (m-30) REVERT: C 257 LYS cc_start: 0.8131 (OUTLIER) cc_final: 0.7848 (tptp) REVERT: D 175 ASP cc_start: 0.7941 (m-30) cc_final: 0.7701 (m-30) REVERT: D 257 LYS cc_start: 0.8223 (OUTLIER) cc_final: 0.7944 (tptp) REVERT: E 162 ASP cc_start: 0.8006 (OUTLIER) cc_final: 0.7742 (m-30) REVERT: E 175 ASP cc_start: 0.7823 (m-30) cc_final: 0.7585 (m-30) REVERT: E 179 ASN cc_start: 0.8281 (OUTLIER) cc_final: 0.8071 (m110) REVERT: E 257 LYS cc_start: 0.8126 (OUTLIER) cc_final: 0.7852 (tptt) REVERT: F 162 ASP cc_start: 0.8005 (OUTLIER) cc_final: 0.7705 (m-30) REVERT: F 175 ASP cc_start: 0.7821 (m-30) cc_final: 0.7584 (m-30) REVERT: F 179 ASN cc_start: 0.8284 (OUTLIER) cc_final: 0.8076 (m110) REVERT: F 257 LYS cc_start: 0.8124 (OUTLIER) cc_final: 0.7852 (tptt) REVERT: G 24 ARG cc_start: 0.8257 (ttm110) cc_final: 0.8028 (ttp-170) REVERT: G 162 ASP cc_start: 0.7996 (OUTLIER) cc_final: 0.7747 (m-30) REVERT: G 175 ASP cc_start: 0.7978 (m-30) cc_final: 0.7776 (m-30) REVERT: H 17 GLN cc_start: 0.7899 (tt0) cc_final: 0.7687 (tt0) REVERT: H 179 ASN cc_start: 0.8262 (OUTLIER) cc_final: 0.8019 (m110) REVERT: H 185 LYS cc_start: 0.7849 (mtpt) cc_final: 0.7112 (mttm) REVERT: H 257 LYS cc_start: 0.8200 (OUTLIER) cc_final: 0.7825 (tptp) REVERT: I 24 ARG cc_start: 0.8134 (ttm110) cc_final: 0.7921 (ttp-170) REVERT: I 175 ASP cc_start: 0.7774 (m-30) cc_final: 0.7534 (m-30) REVERT: I 257 LYS cc_start: 0.8132 (OUTLIER) cc_final: 0.7849 (tptp) REVERT: J 175 ASP cc_start: 0.7942 (m-30) cc_final: 0.7702 (m-30) REVERT: J 257 LYS cc_start: 0.8222 (OUTLIER) cc_final: 0.7943 (tptp) REVERT: K 175 ASP cc_start: 0.7942 (m-30) cc_final: 0.7707 (m-30) REVERT: K 257 LYS cc_start: 0.8223 (OUTLIER) cc_final: 0.7944 (tptp) REVERT: L 162 ASP cc_start: 0.8004 (OUTLIER) cc_final: 0.7706 (m-30) REVERT: L 175 ASP cc_start: 0.7821 (m-30) cc_final: 0.7585 (m-30) REVERT: L 179 ASN cc_start: 0.8284 (OUTLIER) cc_final: 0.8074 (m110) REVERT: L 257 LYS cc_start: 0.8127 (OUTLIER) cc_final: 0.7852 (tptt) REVERT: M 24 ARG cc_start: 0.8260 (ttm110) cc_final: 0.8034 (ttp-170) REVERT: M 162 ASP cc_start: 0.7995 (OUTLIER) cc_final: 0.7742 (m-30) REVERT: M 175 ASP cc_start: 0.7979 (m-30) cc_final: 0.7778 (m-30) REVERT: N 17 GLN cc_start: 0.7895 (tt0) cc_final: 0.7685 (tt0) REVERT: N 179 ASN cc_start: 0.8263 (OUTLIER) cc_final: 0.8021 (m110) REVERT: N 185 LYS cc_start: 0.7847 (mtpt) cc_final: 0.7112 (mttm) REVERT: N 257 LYS cc_start: 0.8199 (OUTLIER) cc_final: 0.7824 (tptp) REVERT: O 24 ARG cc_start: 0.8136 (ttm110) cc_final: 0.7923 (ttp-170) REVERT: O 175 ASP cc_start: 0.7775 (m-30) cc_final: 0.7531 (m-30) REVERT: O 257 LYS cc_start: 0.8129 (OUTLIER) cc_final: 0.7845 (tptp) REVERT: P 24 ARG cc_start: 0.8137 (ttm110) cc_final: 0.7921 (ttp-170) REVERT: P 175 ASP cc_start: 0.7772 (m-30) cc_final: 0.7534 (m-30) REVERT: P 257 LYS cc_start: 0.8130 (OUTLIER) cc_final: 0.7846 (tptp) REVERT: Q 175 ASP cc_start: 0.7937 (m-30) cc_final: 0.7701 (m-30) REVERT: Q 257 LYS cc_start: 0.8221 (OUTLIER) cc_final: 0.7943 (tptp) REVERT: R 162 ASP cc_start: 0.8004 (OUTLIER) cc_final: 0.7706 (m-30) REVERT: R 175 ASP cc_start: 0.7820 (m-30) cc_final: 0.7585 (m-30) REVERT: R 179 ASN cc_start: 0.8282 (OUTLIER) cc_final: 0.8071 (m110) REVERT: R 257 LYS cc_start: 0.8124 (OUTLIER) cc_final: 0.7850 (tptt) REVERT: S 24 ARG cc_start: 0.8258 (ttm110) cc_final: 0.8032 (ttp-170) REVERT: S 162 ASP cc_start: 0.7994 (OUTLIER) cc_final: 0.7740 (m-30) REVERT: S 175 ASP cc_start: 0.7978 (m-30) cc_final: 0.7778 (m-30) REVERT: T 17 GLN cc_start: 0.7896 (tt0) cc_final: 0.7688 (tt0) REVERT: T 179 ASN cc_start: 0.8263 (OUTLIER) cc_final: 0.8021 (m110) REVERT: T 185 LYS cc_start: 0.7842 (mtpt) cc_final: 0.7110 (mttm) REVERT: T 257 LYS cc_start: 0.8197 (OUTLIER) cc_final: 0.7822 (tptp) REVERT: U 162 ASP cc_start: 0.8003 (OUTLIER) cc_final: 0.7703 (m-30) REVERT: U 175 ASP cc_start: 0.7826 (m-30) cc_final: 0.7589 (m-30) REVERT: U 179 ASN cc_start: 0.8285 (OUTLIER) cc_final: 0.8074 (m110) REVERT: U 257 LYS cc_start: 0.8127 (OUTLIER) cc_final: 0.7851 (tptt) REVERT: V 24 ARG cc_start: 0.8263 (ttm110) cc_final: 0.8030 (ttp-170) REVERT: V 162 ASP cc_start: 0.7995 (OUTLIER) cc_final: 0.7748 (m-30) REVERT: V 175 ASP cc_start: 0.7979 (m-30) cc_final: 0.7779 (m-30) REVERT: W 17 GLN cc_start: 0.7896 (tt0) cc_final: 0.7687 (tt0) REVERT: W 179 ASN cc_start: 0.8268 (OUTLIER) cc_final: 0.8026 (m110) REVERT: W 185 LYS cc_start: 0.7848 (mtpt) cc_final: 0.7114 (mttm) REVERT: W 257 LYS cc_start: 0.8201 (OUTLIER) cc_final: 0.7828 (tptp) REVERT: X 24 ARG cc_start: 0.8136 (ttm110) cc_final: 0.7926 (ttp-170) REVERT: X 175 ASP cc_start: 0.7774 (m-30) cc_final: 0.7535 (m-30) REVERT: X 257 LYS cc_start: 0.8128 (OUTLIER) cc_final: 0.7846 (tptp) REVERT: Y 175 ASP cc_start: 0.7940 (m-30) cc_final: 0.7697 (m-30) REVERT: Y 257 LYS cc_start: 0.8224 (OUTLIER) cc_final: 0.7943 (tptp) REVERT: Z 24 ARG cc_start: 0.8258 (ttm110) cc_final: 0.8032 (ttp-170) REVERT: Z 162 ASP cc_start: 0.7996 (OUTLIER) cc_final: 0.7743 (m-30) REVERT: Z 175 ASP cc_start: 0.7979 (m-30) cc_final: 0.7778 (m-30) REVERT: 0 17 GLN cc_start: 0.7896 (tt0) cc_final: 0.7689 (tt0) REVERT: 0 179 ASN cc_start: 0.8262 (OUTLIER) cc_final: 0.8019 (m110) REVERT: 0 185 LYS cc_start: 0.7846 (mtpt) cc_final: 0.7114 (mttm) REVERT: 0 257 LYS cc_start: 0.8200 (OUTLIER) cc_final: 0.7825 (tptp) REVERT: 1 24 ARG cc_start: 0.8135 (ttm110) cc_final: 0.7921 (ttp-170) REVERT: 1 175 ASP cc_start: 0.7776 (m-30) cc_final: 0.7533 (m-30) REVERT: 1 257 LYS cc_start: 0.8128 (OUTLIER) cc_final: 0.7844 (tptp) REVERT: 2 175 ASP cc_start: 0.7937 (m-30) cc_final: 0.7701 (m-30) REVERT: 2 257 LYS cc_start: 0.8223 (OUTLIER) cc_final: 0.7944 (tptp) REVERT: 3 162 ASP cc_start: 0.8003 (OUTLIER) cc_final: 0.7704 (m-30) REVERT: 3 175 ASP cc_start: 0.7821 (m-30) cc_final: 0.7586 (m-30) REVERT: 3 179 ASN cc_start: 0.8285 (OUTLIER) cc_final: 0.8073 (m110) REVERT: 3 257 LYS cc_start: 0.8129 (OUTLIER) cc_final: 0.7855 (tptt) REVERT: 4 24 ARG cc_start: 0.8134 (ttm110) cc_final: 0.7921 (ttp-170) REVERT: 4 175 ASP cc_start: 0.7777 (m-30) cc_final: 0.7538 (m-30) REVERT: 4 257 LYS cc_start: 0.8131 (OUTLIER) cc_final: 0.7850 (tptp) REVERT: 5 175 ASP cc_start: 0.7942 (m-30) cc_final: 0.7702 (m-30) REVERT: 5 257 LYS cc_start: 0.8223 (OUTLIER) cc_final: 0.7945 (tptp) REVERT: 6 162 ASP cc_start: 0.8004 (OUTLIER) cc_final: 0.7706 (m-30) REVERT: 6 175 ASP cc_start: 0.7820 (m-30) cc_final: 0.7583 (m-30) REVERT: 6 179 ASN cc_start: 0.8282 (OUTLIER) cc_final: 0.8071 (m110) REVERT: 6 257 LYS cc_start: 0.8128 (OUTLIER) cc_final: 0.7855 (tptt) REVERT: 7 24 ARG cc_start: 0.8257 (ttm110) cc_final: 0.8029 (ttp-170) REVERT: 7 162 ASP cc_start: 0.7995 (OUTLIER) cc_final: 0.7746 (m-30) REVERT: 7 175 ASP cc_start: 0.7979 (m-30) cc_final: 0.7779 (m-30) REVERT: 8 17 GLN cc_start: 0.7899 (tt0) cc_final: 0.7689 (tt0) REVERT: 8 179 ASN cc_start: 0.8262 (OUTLIER) cc_final: 0.8021 (m110) REVERT: 8 185 LYS cc_start: 0.7847 (mtpt) cc_final: 0.7110 (mttm) REVERT: 8 257 LYS cc_start: 0.8197 (OUTLIER) cc_final: 0.7826 (tptp) REVERT: 9 175 ASP cc_start: 0.7936 (m-30) cc_final: 0.7691 (m-30) REVERT: 9 257 LYS cc_start: 0.8222 (OUTLIER) cc_final: 0.7944 (tptp) REVERT: a 162 ASP cc_start: 0.8000 (OUTLIER) cc_final: 0.7701 (m-30) REVERT: a 175 ASP cc_start: 0.7824 (m-30) cc_final: 0.7586 (m-30) REVERT: a 179 ASN cc_start: 0.8285 (OUTLIER) cc_final: 0.8075 (m110) REVERT: a 257 LYS cc_start: 0.8126 (OUTLIER) cc_final: 0.7853 (tptt) REVERT: b 24 ARG cc_start: 0.8257 (ttm110) cc_final: 0.8027 (ttp-170) REVERT: b 162 ASP cc_start: 0.7994 (OUTLIER) cc_final: 0.7746 (m-30) REVERT: b 175 ASP cc_start: 0.7983 (m-30) cc_final: 0.7780 (m-30) REVERT: c 17 GLN cc_start: 0.7900 (tt0) cc_final: 0.7688 (tt0) REVERT: c 179 ASN cc_start: 0.8260 (OUTLIER) cc_final: 0.8017 (m110) REVERT: c 185 LYS cc_start: 0.7842 (mtpt) cc_final: 0.7107 (mttm) REVERT: c 257 LYS cc_start: 0.8198 (OUTLIER) cc_final: 0.7826 (tptp) REVERT: d 24 ARG cc_start: 0.8136 (ttm110) cc_final: 0.7923 (ttp-170) REVERT: d 175 ASP cc_start: 0.7772 (m-30) cc_final: 0.7536 (m-30) REVERT: d 257 LYS cc_start: 0.8128 (OUTLIER) cc_final: 0.7847 (tptp) REVERT: e 24 ARG cc_start: 0.8134 (ttm110) cc_final: 0.7921 (ttp-170) REVERT: e 175 ASP cc_start: 0.7777 (m-30) cc_final: 0.7531 (m-30) REVERT: e 257 LYS cc_start: 0.8128 (OUTLIER) cc_final: 0.7848 (tptp) REVERT: f 175 ASP cc_start: 0.7942 (m-30) cc_final: 0.7703 (m-30) REVERT: f 257 LYS cc_start: 0.8220 (OUTLIER) cc_final: 0.7942 (tptp) REVERT: g 162 ASP cc_start: 0.8000 (OUTLIER) cc_final: 0.7701 (m-30) REVERT: g 175 ASP cc_start: 0.7823 (m-30) cc_final: 0.7586 (m-30) REVERT: g 179 ASN cc_start: 0.8285 (OUTLIER) cc_final: 0.8074 (m110) REVERT: g 257 LYS cc_start: 0.8125 (OUTLIER) cc_final: 0.7852 (tptt) REVERT: h 24 ARG cc_start: 0.8258 (ttm110) cc_final: 0.8028 (ttp-170) REVERT: h 162 ASP cc_start: 0.7996 (OUTLIER) cc_final: 0.7750 (m-30) REVERT: h 175 ASP cc_start: 0.7982 (m-30) cc_final: 0.7778 (m-30) REVERT: i 17 GLN cc_start: 0.7899 (tt0) cc_final: 0.7684 (tt0) REVERT: i 179 ASN cc_start: 0.8266 (OUTLIER) cc_final: 0.8023 (m110) REVERT: i 185 LYS cc_start: 0.7841 (mtpt) cc_final: 0.7105 (mttm) REVERT: i 257 LYS cc_start: 0.8199 (OUTLIER) cc_final: 0.7826 (tptp) REVERT: j 175 ASP cc_start: 0.7940 (m-30) cc_final: 0.7704 (m-30) REVERT: j 257 LYS cc_start: 0.8221 (OUTLIER) cc_final: 0.7942 (tptp) REVERT: k 162 ASP cc_start: 0.8005 (OUTLIER) cc_final: 0.7705 (m-30) REVERT: k 175 ASP cc_start: 0.7828 (m-30) cc_final: 0.7590 (m-30) REVERT: k 179 ASN cc_start: 0.8285 (OUTLIER) cc_final: 0.8074 (m110) REVERT: k 257 LYS cc_start: 0.8120 (OUTLIER) cc_final: 0.7848 (tptt) REVERT: l 24 ARG cc_start: 0.8259 (ttm110) cc_final: 0.8029 (ttp-170) REVERT: l 162 ASP cc_start: 0.7994 (OUTLIER) cc_final: 0.7747 (m-30) REVERT: l 175 ASP cc_start: 0.7979 (m-30) cc_final: 0.7777 (m-30) REVERT: m 17 GLN cc_start: 0.7895 (tt0) cc_final: 0.7683 (tt0) REVERT: m 179 ASN cc_start: 0.8267 (OUTLIER) cc_final: 0.8026 (m110) REVERT: m 185 LYS cc_start: 0.7849 (mtpt) cc_final: 0.7110 (mttm) REVERT: m 257 LYS cc_start: 0.8197 (OUTLIER) cc_final: 0.7823 (tptp) REVERT: n 24 ARG cc_start: 0.8135 (ttm110) cc_final: 0.7921 (ttp-170) REVERT: n 175 ASP cc_start: 0.7771 (m-30) cc_final: 0.7533 (m-30) REVERT: n 257 LYS cc_start: 0.8130 (OUTLIER) cc_final: 0.7849 (tptp) REVERT: o 162 ASP cc_start: 0.7997 (OUTLIER) cc_final: 0.7699 (m-30) REVERT: o 175 ASP cc_start: 0.7821 (m-30) cc_final: 0.7585 (m-30) REVERT: o 179 ASN cc_start: 0.8283 (OUTLIER) cc_final: 0.8073 (m110) REVERT: o 257 LYS cc_start: 0.8128 (OUTLIER) cc_final: 0.7854 (tptt) REVERT: p 24 ARG cc_start: 0.8258 (ttm110) cc_final: 0.8028 (ttp-170) REVERT: p 162 ASP cc_start: 0.7994 (OUTLIER) cc_final: 0.7747 (m-30) REVERT: p 175 ASP cc_start: 0.7985 (m-30) cc_final: 0.7781 (m-30) REVERT: q 17 GLN cc_start: 0.7901 (tt0) cc_final: 0.7689 (tt0) REVERT: q 179 ASN cc_start: 0.8264 (OUTLIER) cc_final: 0.8021 (m110) REVERT: q 185 LYS cc_start: 0.7843 (mtpt) cc_final: 0.7109 (mttm) REVERT: q 257 LYS cc_start: 0.8200 (OUTLIER) cc_final: 0.7828 (tptp) REVERT: r 24 ARG cc_start: 0.8135 (ttm110) cc_final: 0.7921 (ttp-170) REVERT: r 175 ASP cc_start: 0.7775 (m-30) cc_final: 0.7540 (m-30) REVERT: r 257 LYS cc_start: 0.8126 (OUTLIER) cc_final: 0.7846 (tptp) REVERT: s 175 ASP cc_start: 0.7940 (m-30) cc_final: 0.7704 (m-30) REVERT: s 257 LYS cc_start: 0.8214 (OUTLIER) cc_final: 0.7933 (tptp) REVERT: t 24 ARG cc_start: 0.8258 (ttm110) cc_final: 0.8029 (ttp-170) REVERT: t 162 ASP cc_start: 0.7995 (OUTLIER) cc_final: 0.7749 (m-30) REVERT: t 175 ASP cc_start: 0.7978 (m-30) cc_final: 0.7776 (m-30) REVERT: u 17 GLN cc_start: 0.7894 (tt0) cc_final: 0.7685 (tt0) REVERT: u 179 ASN cc_start: 0.8265 (OUTLIER) cc_final: 0.8024 (m110) REVERT: u 185 LYS cc_start: 0.7844 (mtpt) cc_final: 0.7111 (mttm) REVERT: u 257 LYS cc_start: 0.8196 (OUTLIER) cc_final: 0.7824 (tptp) REVERT: v 24 ARG cc_start: 0.8137 (ttm110) cc_final: 0.7925 (ttp-170) REVERT: v 175 ASP cc_start: 0.7772 (m-30) cc_final: 0.7534 (m-30) REVERT: v 257 LYS cc_start: 0.8129 (OUTLIER) cc_final: 0.7847 (tptp) REVERT: w 175 ASP cc_start: 0.7940 (m-30) cc_final: 0.7696 (m-30) REVERT: w 257 LYS cc_start: 0.8223 (OUTLIER) cc_final: 0.7942 (tptp) REVERT: x 162 ASP cc_start: 0.8000 (OUTLIER) cc_final: 0.7701 (m-30) REVERT: x 175 ASP cc_start: 0.7822 (m-30) cc_final: 0.7584 (m-30) REVERT: x 179 ASN cc_start: 0.8287 (OUTLIER) cc_final: 0.8077 (m110) REVERT: x 257 LYS cc_start: 0.8124 (OUTLIER) cc_final: 0.7849 (tptt) outliers start: 480 outliers final: 168 residues processed: 1534 average time/residue: 2.2626 time to fit residues: 4617.0401 Evaluate side-chains 1146 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 264 poor density : 882 time to evaluate : 10.858 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 126 SER Chi-restraints excluded: chain A residue 160 SER Chi-restraints excluded: chain A residue 162 ASP Chi-restraints excluded: chain B residue 126 SER Chi-restraints excluded: chain B residue 144 THR Chi-restraints excluded: chain B residue 160 SER Chi-restraints excluded: chain B residue 162 ASP Chi-restraints excluded: chain B residue 179 ASN Chi-restraints excluded: chain B residue 257 LYS Chi-restraints excluded: chain C residue 126 SER Chi-restraints excluded: chain C residue 160 SER Chi-restraints excluded: chain C residue 162 ASP Chi-restraints excluded: chain C residue 257 LYS Chi-restraints excluded: chain D residue 126 SER Chi-restraints excluded: chain D residue 160 SER Chi-restraints excluded: chain D residue 162 ASP Chi-restraints excluded: chain D residue 257 LYS Chi-restraints excluded: chain E residue 126 SER Chi-restraints excluded: chain E residue 160 SER Chi-restraints excluded: chain E residue 162 ASP Chi-restraints excluded: chain E residue 179 ASN Chi-restraints excluded: chain E residue 257 LYS Chi-restraints excluded: chain F residue 126 SER Chi-restraints excluded: chain F residue 160 SER Chi-restraints excluded: chain F residue 162 ASP Chi-restraints excluded: chain F residue 179 ASN Chi-restraints excluded: chain F residue 257 LYS Chi-restraints excluded: chain G residue 126 SER Chi-restraints excluded: chain G residue 160 SER Chi-restraints excluded: chain G residue 162 ASP Chi-restraints excluded: chain H residue 126 SER Chi-restraints excluded: chain H residue 144 THR Chi-restraints excluded: chain H residue 160 SER Chi-restraints excluded: chain H residue 162 ASP Chi-restraints excluded: chain H residue 179 ASN Chi-restraints excluded: chain H residue 257 LYS Chi-restraints excluded: chain I residue 126 SER Chi-restraints excluded: chain I residue 160 SER Chi-restraints excluded: chain I residue 162 ASP Chi-restraints excluded: chain I residue 257 LYS Chi-restraints excluded: chain J residue 126 SER Chi-restraints excluded: chain J residue 160 SER Chi-restraints excluded: chain J residue 162 ASP Chi-restraints excluded: chain J residue 257 LYS Chi-restraints excluded: chain K residue 126 SER Chi-restraints excluded: chain K residue 160 SER Chi-restraints excluded: chain K residue 162 ASP Chi-restraints excluded: chain K residue 257 LYS Chi-restraints excluded: chain L residue 126 SER Chi-restraints excluded: chain L residue 160 SER Chi-restraints excluded: chain L residue 162 ASP Chi-restraints excluded: chain L residue 179 ASN Chi-restraints excluded: chain L residue 257 LYS Chi-restraints excluded: chain M residue 126 SER Chi-restraints excluded: chain M residue 160 SER Chi-restraints excluded: chain M residue 162 ASP Chi-restraints excluded: chain N residue 126 SER Chi-restraints excluded: chain N residue 144 THR Chi-restraints excluded: chain N residue 160 SER Chi-restraints excluded: chain N residue 162 ASP Chi-restraints excluded: chain N residue 179 ASN Chi-restraints excluded: chain N residue 257 LYS Chi-restraints excluded: chain O residue 126 SER Chi-restraints excluded: chain O residue 160 SER Chi-restraints excluded: chain O residue 162 ASP Chi-restraints excluded: chain O residue 257 LYS Chi-restraints excluded: chain P residue 126 SER Chi-restraints excluded: chain P residue 160 SER Chi-restraints excluded: chain P residue 162 ASP Chi-restraints excluded: chain P residue 257 LYS Chi-restraints excluded: chain Q residue 126 SER Chi-restraints excluded: chain Q residue 160 SER Chi-restraints excluded: chain Q residue 162 ASP Chi-restraints excluded: chain Q residue 257 LYS Chi-restraints excluded: chain R residue 126 SER Chi-restraints excluded: chain R residue 160 SER Chi-restraints excluded: chain R residue 162 ASP Chi-restraints excluded: chain R residue 179 ASN Chi-restraints excluded: chain R residue 257 LYS Chi-restraints excluded: chain S residue 126 SER Chi-restraints excluded: chain S residue 160 SER Chi-restraints excluded: chain S residue 162 ASP Chi-restraints excluded: chain T residue 126 SER Chi-restraints excluded: chain T residue 144 THR Chi-restraints excluded: chain T residue 160 SER Chi-restraints excluded: chain T residue 162 ASP Chi-restraints excluded: chain T residue 179 ASN Chi-restraints excluded: chain T residue 257 LYS Chi-restraints excluded: chain U residue 126 SER Chi-restraints excluded: chain U residue 160 SER Chi-restraints excluded: chain U residue 162 ASP Chi-restraints excluded: chain U residue 179 ASN Chi-restraints excluded: chain U residue 257 LYS Chi-restraints excluded: chain V residue 126 SER Chi-restraints excluded: chain V residue 160 SER Chi-restraints excluded: chain V residue 162 ASP Chi-restraints excluded: chain W residue 126 SER Chi-restraints excluded: chain W residue 144 THR Chi-restraints excluded: chain W residue 160 SER Chi-restraints excluded: chain W residue 162 ASP Chi-restraints excluded: chain W residue 179 ASN Chi-restraints excluded: chain W residue 257 LYS Chi-restraints excluded: chain X residue 126 SER Chi-restraints excluded: chain X residue 160 SER Chi-restraints excluded: chain X residue 162 ASP Chi-restraints excluded: chain X residue 257 LYS Chi-restraints excluded: chain Y residue 126 SER Chi-restraints excluded: chain Y residue 160 SER Chi-restraints excluded: chain Y residue 162 ASP Chi-restraints excluded: chain Y residue 257 LYS Chi-restraints excluded: chain Z residue 126 SER Chi-restraints excluded: chain Z residue 160 SER Chi-restraints excluded: chain Z residue 162 ASP Chi-restraints excluded: chain 0 residue 126 SER Chi-restraints excluded: chain 0 residue 144 THR Chi-restraints excluded: chain 0 residue 160 SER Chi-restraints excluded: chain 0 residue 162 ASP Chi-restraints excluded: chain 0 residue 179 ASN Chi-restraints excluded: chain 0 residue 257 LYS Chi-restraints excluded: chain 1 residue 126 SER Chi-restraints excluded: chain 1 residue 160 SER Chi-restraints excluded: chain 1 residue 162 ASP Chi-restraints excluded: chain 1 residue 257 LYS Chi-restraints excluded: chain 2 residue 126 SER Chi-restraints excluded: chain 2 residue 160 SER Chi-restraints excluded: chain 2 residue 162 ASP Chi-restraints excluded: chain 2 residue 257 LYS Chi-restraints excluded: chain 3 residue 126 SER Chi-restraints excluded: chain 3 residue 160 SER Chi-restraints excluded: chain 3 residue 162 ASP Chi-restraints excluded: chain 3 residue 179 ASN Chi-restraints excluded: chain 3 residue 257 LYS Chi-restraints excluded: chain 4 residue 126 SER Chi-restraints excluded: chain 4 residue 160 SER Chi-restraints excluded: chain 4 residue 162 ASP Chi-restraints excluded: chain 4 residue 257 LYS Chi-restraints excluded: chain 5 residue 126 SER Chi-restraints excluded: chain 5 residue 160 SER Chi-restraints excluded: chain 5 residue 162 ASP Chi-restraints excluded: chain 5 residue 257 LYS Chi-restraints excluded: chain 6 residue 126 SER Chi-restraints excluded: chain 6 residue 160 SER Chi-restraints excluded: chain 6 residue 162 ASP Chi-restraints excluded: chain 6 residue 179 ASN Chi-restraints excluded: chain 6 residue 257 LYS Chi-restraints excluded: chain 7 residue 126 SER Chi-restraints excluded: chain 7 residue 160 SER Chi-restraints excluded: chain 7 residue 162 ASP Chi-restraints excluded: chain 8 residue 126 SER Chi-restraints excluded: chain 8 residue 144 THR Chi-restraints excluded: chain 8 residue 160 SER Chi-restraints excluded: chain 8 residue 162 ASP Chi-restraints excluded: chain 8 residue 179 ASN Chi-restraints excluded: chain 8 residue 257 LYS Chi-restraints excluded: chain 9 residue 126 SER Chi-restraints excluded: chain 9 residue 160 SER Chi-restraints excluded: chain 9 residue 162 ASP Chi-restraints excluded: chain 9 residue 257 LYS Chi-restraints excluded: chain a residue 126 SER Chi-restraints excluded: chain a residue 160 SER Chi-restraints excluded: chain a residue 162 ASP Chi-restraints excluded: chain a residue 179 ASN Chi-restraints excluded: chain a residue 257 LYS Chi-restraints excluded: chain b residue 126 SER Chi-restraints excluded: chain b residue 160 SER Chi-restraints excluded: chain b residue 162 ASP Chi-restraints excluded: chain c residue 126 SER Chi-restraints excluded: chain c residue 144 THR Chi-restraints excluded: chain c residue 160 SER Chi-restraints excluded: chain c residue 162 ASP Chi-restraints excluded: chain c residue 179 ASN Chi-restraints excluded: chain c residue 257 LYS Chi-restraints excluded: chain d residue 126 SER Chi-restraints excluded: chain d residue 160 SER Chi-restraints excluded: chain d residue 162 ASP Chi-restraints excluded: chain d residue 257 LYS Chi-restraints excluded: chain e residue 126 SER Chi-restraints excluded: chain e residue 160 SER Chi-restraints excluded: chain e residue 162 ASP Chi-restraints excluded: chain e residue 257 LYS Chi-restraints excluded: chain f residue 126 SER Chi-restraints excluded: chain f residue 160 SER Chi-restraints excluded: chain f residue 162 ASP Chi-restraints excluded: chain f residue 257 LYS Chi-restraints excluded: chain g residue 126 SER Chi-restraints excluded: chain g residue 160 SER Chi-restraints excluded: chain g residue 162 ASP Chi-restraints excluded: chain g residue 179 ASN Chi-restraints excluded: chain g residue 257 LYS Chi-restraints excluded: chain h residue 126 SER Chi-restraints excluded: chain h residue 160 SER Chi-restraints excluded: chain h residue 162 ASP Chi-restraints excluded: chain i residue 126 SER Chi-restraints excluded: chain i residue 144 THR Chi-restraints excluded: chain i residue 160 SER Chi-restraints excluded: chain i residue 162 ASP Chi-restraints excluded: chain i residue 179 ASN Chi-restraints excluded: chain i residue 257 LYS Chi-restraints excluded: chain j residue 126 SER Chi-restraints excluded: chain j residue 160 SER Chi-restraints excluded: chain j residue 162 ASP Chi-restraints excluded: chain j residue 257 LYS Chi-restraints excluded: chain k residue 126 SER Chi-restraints excluded: chain k residue 160 SER Chi-restraints excluded: chain k residue 162 ASP Chi-restraints excluded: chain k residue 179 ASN Chi-restraints excluded: chain k residue 257 LYS Chi-restraints excluded: chain l residue 126 SER Chi-restraints excluded: chain l residue 160 SER Chi-restraints excluded: chain l residue 162 ASP Chi-restraints excluded: chain m residue 126 SER Chi-restraints excluded: chain m residue 144 THR Chi-restraints excluded: chain m residue 160 SER Chi-restraints excluded: chain m residue 162 ASP Chi-restraints excluded: chain m residue 179 ASN Chi-restraints excluded: chain m residue 257 LYS Chi-restraints excluded: chain n residue 126 SER Chi-restraints excluded: chain n residue 160 SER Chi-restraints excluded: chain n residue 162 ASP Chi-restraints excluded: chain n residue 257 LYS Chi-restraints excluded: chain o residue 126 SER Chi-restraints excluded: chain o residue 160 SER Chi-restraints excluded: chain o residue 162 ASP Chi-restraints excluded: chain o residue 179 ASN Chi-restraints excluded: chain o residue 257 LYS Chi-restraints excluded: chain p residue 126 SER Chi-restraints excluded: chain p residue 160 SER Chi-restraints excluded: chain p residue 162 ASP Chi-restraints excluded: chain q residue 126 SER Chi-restraints excluded: chain q residue 144 THR Chi-restraints excluded: chain q residue 160 SER Chi-restraints excluded: chain q residue 162 ASP Chi-restraints excluded: chain q residue 179 ASN Chi-restraints excluded: chain q residue 257 LYS Chi-restraints excluded: chain r residue 126 SER Chi-restraints excluded: chain r residue 160 SER Chi-restraints excluded: chain r residue 162 ASP Chi-restraints excluded: chain r residue 257 LYS Chi-restraints excluded: chain s residue 126 SER Chi-restraints excluded: chain s residue 160 SER Chi-restraints excluded: chain s residue 162 ASP Chi-restraints excluded: chain s residue 257 LYS Chi-restraints excluded: chain t residue 126 SER Chi-restraints excluded: chain t residue 160 SER Chi-restraints excluded: chain t residue 162 ASP Chi-restraints excluded: chain u residue 126 SER Chi-restraints excluded: chain u residue 144 THR Chi-restraints excluded: chain u residue 160 SER Chi-restraints excluded: chain u residue 162 ASP Chi-restraints excluded: chain u residue 179 ASN Chi-restraints excluded: chain u residue 257 LYS Chi-restraints excluded: chain v residue 126 SER Chi-restraints excluded: chain v residue 160 SER Chi-restraints excluded: chain v residue 162 ASP Chi-restraints excluded: chain v residue 257 LYS Chi-restraints excluded: chain w residue 126 SER Chi-restraints excluded: chain w residue 160 SER Chi-restraints excluded: chain w residue 162 ASP Chi-restraints excluded: chain w residue 257 LYS Chi-restraints excluded: chain x residue 126 SER Chi-restraints excluded: chain x residue 160 SER Chi-restraints excluded: chain x residue 162 ASP Chi-restraints excluded: chain x residue 179 ASN Chi-restraints excluded: chain x residue 257 LYS Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1500 random chunks: chunk 1266 optimal weight: 4.9990 chunk 1136 optimal weight: 9.9990 chunk 630 optimal weight: 10.0000 chunk 388 optimal weight: 8.9990 chunk 766 optimal weight: 8.9990 chunk 607 optimal weight: 9.9990 chunk 1175 optimal weight: 9.9990 chunk 454 optimal weight: 0.6980 chunk 714 optimal weight: 8.9990 chunk 875 optimal weight: 0.0010 chunk 1362 optimal weight: 7.9990 overall best weight: 4.5392 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 21 ASN B 21 ASN D 21 ASN G 21 ASN H 21 ASN J 21 ASN K 21 ASN M 21 ASN N 21 ASN Q 21 ASN S 21 ASN T 21 ASN V 21 ASN W 21 ASN Y 21 ASN Z 21 ASN 0 21 ASN 2 21 ASN 5 21 ASN 7 21 ASN 8 21 ASN 9 21 ASN b 21 ASN c 21 ASN f 21 ASN h 21 ASN i 21 ASN j 21 ASN l 21 ASN m 21 ASN p 21 ASN q 21 ASN s 21 ASN t 21 ASN u 21 ASN w 21 ASN Total number of N/Q/H flips: 36 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8206 moved from start: 0.0931 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.030 129900 Z= 0.315 Angle : 0.839 6.895 175440 Z= 0.450 Chirality : 0.050 0.172 19380 Planarity : 0.006 0.046 22320 Dihedral : 8.728 55.566 18252 Min Nonbonded Distance : 2.133 Molprobity Statistics. All-atom Clashscore : 3.60 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.45 % Favored : 94.55 % Rotamer: Outliers : 4.01 % Allowed : 12.13 % Favored : 83.86 % 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: -2.69 (0.06), residues: 15360 helix: -1.28 (0.08), residues: 4020 sheet: -0.39 (0.13), residues: 1380 loop : -2.35 (0.05), residues: 9960 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.007 0.002 TRP R 87 HIS 0.006 0.004 HIS k 50 PHE 0.014 0.002 PHE a 114 TYR 0.012 0.002 TYR Y 47 ARG 0.004 0.001 ARG T 79 *********************** 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 1496 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 551 poor density : 945 time to evaluate : 11.120 Fit side-chains REVERT: A 162 ASP cc_start: 0.7966 (OUTLIER) cc_final: 0.7733 (m-30) REVERT: A 233 ASP cc_start: 0.8297 (OUTLIER) cc_final: 0.7939 (p0) REVERT: B 13 GLU cc_start: 0.7203 (OUTLIER) cc_final: 0.6977 (mt-10) REVERT: B 179 ASN cc_start: 0.8220 (OUTLIER) cc_final: 0.7959 (m110) REVERT: B 257 LYS cc_start: 0.8073 (OUTLIER) cc_final: 0.7810 (tptp) REVERT: C 24 ARG cc_start: 0.8068 (ttm110) cc_final: 0.7747 (ttp-170) REVERT: C 175 ASP cc_start: 0.7796 (m-30) cc_final: 0.7554 (m-30) REVERT: C 192 ARG cc_start: 0.6596 (mtt180) cc_final: 0.6382 (mtt180) REVERT: C 257 LYS cc_start: 0.8018 (OUTLIER) cc_final: 0.7789 (tptp) REVERT: D 13 GLU cc_start: 0.7151 (mm-30) cc_final: 0.6938 (mm-30) REVERT: D 106 GLU cc_start: 0.7158 (OUTLIER) cc_final: 0.6950 (mm-30) REVERT: D 175 ASP cc_start: 0.7897 (m-30) cc_final: 0.7669 (m-30) REVERT: D 257 LYS cc_start: 0.8054 (OUTLIER) cc_final: 0.7770 (tptp) REVERT: E 106 GLU cc_start: 0.6904 (OUTLIER) cc_final: 0.6661 (mm-30) REVERT: E 162 ASP cc_start: 0.8034 (OUTLIER) cc_final: 0.7697 (m-30) REVERT: E 175 ASP cc_start: 0.7942 (m-30) cc_final: 0.7692 (m-30) REVERT: E 179 ASN cc_start: 0.8190 (OUTLIER) cc_final: 0.7960 (m110) REVERT: F 106 GLU cc_start: 0.6900 (OUTLIER) cc_final: 0.6657 (mm-30) REVERT: F 162 ASP cc_start: 0.8032 (OUTLIER) cc_final: 0.7696 (m-30) REVERT: F 175 ASP cc_start: 0.7941 (m-30) cc_final: 0.7690 (m-30) REVERT: F 179 ASN cc_start: 0.8194 (OUTLIER) cc_final: 0.7966 (m110) REVERT: G 106 GLU cc_start: 0.6938 (OUTLIER) cc_final: 0.6312 (mm-30) REVERT: G 162 ASP cc_start: 0.7965 (OUTLIER) cc_final: 0.7731 (m-30) REVERT: G 233 ASP cc_start: 0.8299 (OUTLIER) cc_final: 0.7937 (p0) REVERT: H 179 ASN cc_start: 0.8219 (OUTLIER) cc_final: 0.7958 (m110) REVERT: H 257 LYS cc_start: 0.8073 (OUTLIER) cc_final: 0.7811 (tptp) REVERT: I 24 ARG cc_start: 0.8067 (ttm110) cc_final: 0.7745 (ttp-170) REVERT: I 175 ASP cc_start: 0.7786 (m-30) cc_final: 0.7553 (m-30) REVERT: I 192 ARG cc_start: 0.6592 (mtt180) cc_final: 0.6377 (mtt180) REVERT: I 257 LYS cc_start: 0.8018 (OUTLIER) cc_final: 0.7787 (tptp) REVERT: J 13 GLU cc_start: 0.7150 (mm-30) cc_final: 0.6941 (mm-30) REVERT: J 106 GLU cc_start: 0.7164 (OUTLIER) cc_final: 0.6955 (mm-30) REVERT: J 175 ASP cc_start: 0.7897 (m-30) cc_final: 0.7668 (m-30) REVERT: J 257 LYS cc_start: 0.8049 (OUTLIER) cc_final: 0.7767 (tptp) REVERT: K 106 GLU cc_start: 0.7157 (OUTLIER) cc_final: 0.6949 (mm-30) REVERT: K 175 ASP cc_start: 0.7894 (m-30) cc_final: 0.7668 (m-30) REVERT: K 257 LYS cc_start: 0.8047 (OUTLIER) cc_final: 0.7767 (tptp) REVERT: L 106 GLU cc_start: 0.6901 (OUTLIER) cc_final: 0.6657 (mm-30) REVERT: L 162 ASP cc_start: 0.8033 (OUTLIER) cc_final: 0.7697 (m-30) REVERT: L 175 ASP cc_start: 0.7945 (m-30) cc_final: 0.7694 (m-30) REVERT: L 179 ASN cc_start: 0.8190 (OUTLIER) cc_final: 0.7960 (m110) REVERT: M 162 ASP cc_start: 0.7964 (OUTLIER) cc_final: 0.7728 (m-30) REVERT: M 233 ASP cc_start: 0.8295 (OUTLIER) cc_final: 0.7936 (p0) REVERT: N 179 ASN cc_start: 0.8220 (OUTLIER) cc_final: 0.7961 (m110) REVERT: N 257 LYS cc_start: 0.8073 (OUTLIER) cc_final: 0.7810 (tptp) REVERT: O 24 ARG cc_start: 0.8070 (ttm110) cc_final: 0.7748 (ttp-170) REVERT: O 175 ASP cc_start: 0.7794 (m-30) cc_final: 0.7554 (m-30) REVERT: O 192 ARG cc_start: 0.6591 (mtt180) cc_final: 0.6376 (mtt180) REVERT: O 257 LYS cc_start: 0.8022 (OUTLIER) cc_final: 0.7790 (tptp) REVERT: P 24 ARG cc_start: 0.8070 (ttm110) cc_final: 0.7745 (ttp-170) REVERT: P 175 ASP cc_start: 0.7785 (m-30) cc_final: 0.7552 (m-30) REVERT: P 192 ARG cc_start: 0.6595 (mtt180) cc_final: 0.6380 (mtt180) REVERT: P 257 LYS cc_start: 0.8019 (OUTLIER) cc_final: 0.7788 (tptp) REVERT: Q 13 GLU cc_start: 0.7156 (mm-30) cc_final: 0.6944 (mm-30) REVERT: Q 106 GLU cc_start: 0.7158 (OUTLIER) cc_final: 0.6918 (mm-30) REVERT: Q 175 ASP cc_start: 0.7891 (m-30) cc_final: 0.7665 (m-30) REVERT: Q 257 LYS cc_start: 0.8048 (OUTLIER) cc_final: 0.7769 (tptp) REVERT: R 106 GLU cc_start: 0.6899 (OUTLIER) cc_final: 0.6658 (mm-30) REVERT: R 162 ASP cc_start: 0.8034 (OUTLIER) cc_final: 0.7696 (m-30) REVERT: R 175 ASP cc_start: 0.7944 (m-30) cc_final: 0.7693 (m-30) REVERT: R 179 ASN cc_start: 0.8191 (OUTLIER) cc_final: 0.7959 (m110) REVERT: S 162 ASP cc_start: 0.7963 (OUTLIER) cc_final: 0.7727 (m-30) REVERT: S 233 ASP cc_start: 0.8293 (OUTLIER) cc_final: 0.7934 (p0) REVERT: T 13 GLU cc_start: 0.7204 (OUTLIER) cc_final: 0.6972 (mt-10) REVERT: T 179 ASN cc_start: 0.8221 (OUTLIER) cc_final: 0.7962 (m110) REVERT: T 257 LYS cc_start: 0.8072 (OUTLIER) cc_final: 0.7808 (tptp) REVERT: U 106 GLU cc_start: 0.6904 (OUTLIER) cc_final: 0.6660 (mm-30) REVERT: U 162 ASP cc_start: 0.8034 (OUTLIER) cc_final: 0.7698 (m-30) REVERT: U 175 ASP cc_start: 0.7949 (m-30) cc_final: 0.7701 (m-30) REVERT: U 179 ASN cc_start: 0.8193 (OUTLIER) cc_final: 0.7961 (m110) REVERT: V 106 GLU cc_start: 0.6938 (OUTLIER) cc_final: 0.6314 (mm-30) REVERT: V 162 ASP cc_start: 0.7965 (OUTLIER) cc_final: 0.7728 (m-30) REVERT: V 233 ASP cc_start: 0.8297 (OUTLIER) cc_final: 0.7936 (p0) REVERT: W 13 GLU cc_start: 0.7204 (OUTLIER) cc_final: 0.6975 (mt-10) REVERT: W 179 ASN cc_start: 0.8225 (OUTLIER) cc_final: 0.7962 (m110) REVERT: W 257 LYS cc_start: 0.8075 (OUTLIER) cc_final: 0.7812 (tptp) REVERT: X 24 ARG cc_start: 0.8070 (ttm110) cc_final: 0.7748 (ttp-170) REVERT: X 175 ASP cc_start: 0.7788 (m-30) cc_final: 0.7554 (m-30) REVERT: X 192 ARG cc_start: 0.6595 (mtt180) cc_final: 0.6379 (mtt180) REVERT: X 257 LYS cc_start: 0.8023 (OUTLIER) cc_final: 0.7792 (tptp) REVERT: Y 106 GLU cc_start: 0.7162 (OUTLIER) cc_final: 0.6955 (mm-30) REVERT: Y 175 ASP cc_start: 0.7896 (m-30) cc_final: 0.7667 (m-30) REVERT: Y 257 LYS cc_start: 0.8050 (OUTLIER) cc_final: 0.7769 (tptp) REVERT: Z 162 ASP cc_start: 0.7964 (OUTLIER) cc_final: 0.7729 (m-30) REVERT: Z 233 ASP cc_start: 0.8294 (OUTLIER) cc_final: 0.7934 (p0) REVERT: 0 13 GLU cc_start: 0.7204 (OUTLIER) cc_final: 0.6973 (mt-10) REVERT: 0 179 ASN cc_start: 0.8220 (OUTLIER) cc_final: 0.7960 (m110) REVERT: 0 257 LYS cc_start: 0.8075 (OUTLIER) cc_final: 0.7812 (tptp) REVERT: 1 24 ARG cc_start: 0.8070 (ttm110) cc_final: 0.7746 (ttp-170) REVERT: 1 175 ASP cc_start: 0.7788 (m-30) cc_final: 0.7556 (m-30) REVERT: 1 192 ARG cc_start: 0.6593 (mtt180) cc_final: 0.6377 (mtt180) REVERT: 1 257 LYS cc_start: 0.8020 (OUTLIER) cc_final: 0.7789 (tptp) REVERT: 2 13 GLU cc_start: 0.7159 (mm-30) cc_final: 0.6959 (mm-30) REVERT: 2 106 GLU cc_start: 0.7156 (OUTLIER) cc_final: 0.6919 (mm-30) REVERT: 2 175 ASP cc_start: 0.7892 (m-30) cc_final: 0.7664 (m-30) REVERT: 2 257 LYS cc_start: 0.8047 (OUTLIER) cc_final: 0.7766 (tptp) REVERT: 3 106 GLU cc_start: 0.6900 (OUTLIER) cc_final: 0.6656 (mm-30) REVERT: 3 162 ASP cc_start: 0.8031 (OUTLIER) cc_final: 0.7696 (m-30) REVERT: 3 175 ASP cc_start: 0.7943 (m-30) cc_final: 0.7692 (m-30) REVERT: 3 179 ASN cc_start: 0.8194 (OUTLIER) cc_final: 0.7963 (m110) REVERT: 4 24 ARG cc_start: 0.8067 (ttm110) cc_final: 0.7744 (ttp-170) REVERT: 4 175 ASP cc_start: 0.7786 (m-30) cc_final: 0.7545 (m-30) REVERT: 4 192 ARG cc_start: 0.6594 (mtt180) cc_final: 0.6378 (mtt180) REVERT: 4 257 LYS cc_start: 0.8015 (OUTLIER) cc_final: 0.7788 (tptp) REVERT: 5 106 GLU cc_start: 0.7160 (OUTLIER) cc_final: 0.6956 (mm-30) REVERT: 5 175 ASP cc_start: 0.7898 (m-30) cc_final: 0.7670 (m-30) REVERT: 5 257 LYS cc_start: 0.8052 (OUTLIER) cc_final: 0.7768 (tptp) REVERT: 6 106 GLU cc_start: 0.6897 (OUTLIER) cc_final: 0.6658 (mm-30) REVERT: 6 162 ASP cc_start: 0.8031 (OUTLIER) cc_final: 0.7693 (m-30) REVERT: 6 175 ASP cc_start: 0.7940 (m-30) cc_final: 0.7692 (m-30) REVERT: 6 179 ASN cc_start: 0.8190 (OUTLIER) cc_final: 0.7960 (m110) REVERT: 7 162 ASP cc_start: 0.7964 (OUTLIER) cc_final: 0.7732 (m-30) REVERT: 7 233 ASP cc_start: 0.8298 (OUTLIER) cc_final: 0.7938 (p0) REVERT: 8 13 GLU cc_start: 0.7205 (OUTLIER) cc_final: 0.6978 (mt-10) REVERT: 8 179 ASN cc_start: 0.8219 (OUTLIER) cc_final: 0.7959 (m110) REVERT: 8 257 LYS cc_start: 0.8071 (OUTLIER) cc_final: 0.7810 (tptp) REVERT: 9 106 GLU cc_start: 0.7159 (OUTLIER) cc_final: 0.6921 (mm-30) REVERT: 9 175 ASP cc_start: 0.7899 (m-30) cc_final: 0.7671 (m-30) REVERT: 9 257 LYS cc_start: 0.8053 (OUTLIER) cc_final: 0.7771 (tptp) REVERT: a 106 GLU cc_start: 0.6898 (OUTLIER) cc_final: 0.6661 (mm-30) REVERT: a 162 ASP cc_start: 0.8031 (OUTLIER) cc_final: 0.7692 (m-30) REVERT: a 175 ASP cc_start: 0.7943 (m-30) cc_final: 0.7695 (m-30) REVERT: a 179 ASN cc_start: 0.8191 (OUTLIER) cc_final: 0.7961 (m110) REVERT: b 162 ASP cc_start: 0.7963 (OUTLIER) cc_final: 0.7728 (m-30) REVERT: b 233 ASP cc_start: 0.8300 (OUTLIER) cc_final: 0.7938 (p0) REVERT: c 179 ASN cc_start: 0.8221 (OUTLIER) cc_final: 0.7960 (m110) REVERT: c 257 LYS cc_start: 0.8072 (OUTLIER) cc_final: 0.7810 (tptp) REVERT: d 24 ARG cc_start: 0.8071 (ttm110) cc_final: 0.7748 (ttp-170) REVERT: d 175 ASP cc_start: 0.7788 (m-30) cc_final: 0.7556 (m-30) REVERT: d 192 ARG cc_start: 0.6595 (mtt180) cc_final: 0.6380 (mtt180) REVERT: d 257 LYS cc_start: 0.8015 (OUTLIER) cc_final: 0.7786 (tptp) REVERT: e 24 ARG cc_start: 0.8069 (ttm110) cc_final: 0.7748 (ttp-170) REVERT: e 175 ASP cc_start: 0.7798 (m-30) cc_final: 0.7557 (m-30) REVERT: e 192 ARG cc_start: 0.6594 (mtt180) cc_final: 0.6380 (mtt180) REVERT: e 257 LYS cc_start: 0.8017 (OUTLIER) cc_final: 0.7789 (tptp) REVERT: f 106 GLU cc_start: 0.7159 (OUTLIER) cc_final: 0.6951 (mm-30) REVERT: f 175 ASP cc_start: 0.7897 (m-30) cc_final: 0.7669 (m-30) REVERT: f 257 LYS cc_start: 0.8050 (OUTLIER) cc_final: 0.7770 (tptp) REVERT: g 106 GLU cc_start: 0.6902 (OUTLIER) cc_final: 0.6660 (mm-30) REVERT: g 162 ASP cc_start: 0.8030 (OUTLIER) cc_final: 0.7691 (m-30) REVERT: g 175 ASP cc_start: 0.7949 (m-30) cc_final: 0.7700 (m-30) REVERT: g 179 ASN cc_start: 0.8192 (OUTLIER) cc_final: 0.7961 (m110) REVERT: h 162 ASP cc_start: 0.7965 (OUTLIER) cc_final: 0.7730 (m-30) REVERT: h 233 ASP cc_start: 0.8299 (OUTLIER) cc_final: 0.7936 (p0) REVERT: i 179 ASN cc_start: 0.8222 (OUTLIER) cc_final: 0.7963 (m110) REVERT: i 257 LYS cc_start: 0.8073 (OUTLIER) cc_final: 0.7811 (tptp) REVERT: j 106 GLU cc_start: 0.7160 (OUTLIER) cc_final: 0.6955 (mm-30) REVERT: j 175 ASP cc_start: 0.7895 (m-30) cc_final: 0.7667 (m-30) REVERT: j 257 LYS cc_start: 0.8048 (OUTLIER) cc_final: 0.7767 (tptp) REVERT: k 106 GLU cc_start: 0.6902 (OUTLIER) cc_final: 0.6657 (mm-30) REVERT: k 162 ASP cc_start: 0.8035 (OUTLIER) cc_final: 0.7698 (m-30) REVERT: k 175 ASP cc_start: 0.7946 (m-30) cc_final: 0.7695 (m-30) REVERT: k 179 ASN cc_start: 0.8193 (OUTLIER) cc_final: 0.7960 (m110) REVERT: l 106 GLU cc_start: 0.6936 (OUTLIER) cc_final: 0.6312 (mm-30) REVERT: l 162 ASP cc_start: 0.7963 (OUTLIER) cc_final: 0.7726 (m-30) REVERT: l 233 ASP cc_start: 0.8300 (OUTLIER) cc_final: 0.7938 (p0) REVERT: m 179 ASN cc_start: 0.8226 (OUTLIER) cc_final: 0.7963 (m110) REVERT: m 257 LYS cc_start: 0.8073 (OUTLIER) cc_final: 0.7811 (tptp) REVERT: n 24 ARG cc_start: 0.8073 (ttm110) cc_final: 0.7749 (ttp-170) REVERT: n 175 ASP cc_start: 0.7793 (m-30) cc_final: 0.7553 (m-30) REVERT: n 192 ARG cc_start: 0.6597 (mtt180) cc_final: 0.6380 (mtt180) REVERT: n 257 LYS cc_start: 0.8020 (OUTLIER) cc_final: 0.7790 (tptp) REVERT: o 106 GLU cc_start: 0.6897 (OUTLIER) cc_final: 0.6661 (mm-30) REVERT: o 162 ASP cc_start: 0.8030 (OUTLIER) cc_final: 0.7690 (m-30) REVERT: o 175 ASP cc_start: 0.7942 (m-30) cc_final: 0.7692 (m-30) REVERT: o 179 ASN cc_start: 0.8189 (OUTLIER) cc_final: 0.7960 (m110) REVERT: p 162 ASP cc_start: 0.7964 (OUTLIER) cc_final: 0.7727 (m-30) REVERT: p 233 ASP cc_start: 0.8300 (OUTLIER) cc_final: 0.7937 (p0) REVERT: q 13 GLU cc_start: 0.7206 (OUTLIER) cc_final: 0.6988 (mt-10) REVERT: q 17 GLN cc_start: 0.7857 (tt0) cc_final: 0.7635 (tt0) REVERT: q 179 ASN cc_start: 0.8223 (OUTLIER) cc_final: 0.7963 (m110) REVERT: q 257 LYS cc_start: 0.8076 (OUTLIER) cc_final: 0.7815 (tptp) REVERT: r 24 ARG cc_start: 0.8071 (ttm110) cc_final: 0.7747 (ttp-170) REVERT: r 175 ASP cc_start: 0.7789 (m-30) cc_final: 0.7559 (m-30) REVERT: r 192 ARG cc_start: 0.6593 (mtt180) cc_final: 0.6378 (mtt180) REVERT: r 257 LYS cc_start: 0.8014 (OUTLIER) cc_final: 0.7787 (tptp) REVERT: s 106 GLU cc_start: 0.7151 (OUTLIER) cc_final: 0.6912 (mm-30) REVERT: s 175 ASP cc_start: 0.7896 (m-30) cc_final: 0.7668 (m-30) REVERT: s 257 LYS cc_start: 0.8055 (OUTLIER) cc_final: 0.7773 (tptp) REVERT: t 162 ASP cc_start: 0.7965 (OUTLIER) cc_final: 0.7728 (m-30) REVERT: t 233 ASP cc_start: 0.8298 (OUTLIER) cc_final: 0.7936 (p0) REVERT: u 13 GLU cc_start: 0.7205 (OUTLIER) cc_final: 0.6974 (mt-10) REVERT: u 179 ASN cc_start: 0.8224 (OUTLIER) cc_final: 0.7962 (m110) REVERT: u 257 LYS cc_start: 0.8072 (OUTLIER) cc_final: 0.7811 (tptp) REVERT: v 24 ARG cc_start: 0.8071 (ttm110) cc_final: 0.7749 (ttp-170) REVERT: v 175 ASP cc_start: 0.7786 (m-30) cc_final: 0.7545 (m-30) REVERT: v 192 ARG cc_start: 0.6598 (mtt180) cc_final: 0.6382 (mtt180) REVERT: v 257 LYS cc_start: 0.8021 (OUTLIER) cc_final: 0.7791 (tptp) REVERT: w 106 GLU cc_start: 0.7159 (OUTLIER) cc_final: 0.6924 (mm-30) REVERT: w 175 ASP cc_start: 0.7902 (m-30) cc_final: 0.7673 (m-30) REVERT: w 257 LYS cc_start: 0.8049 (OUTLIER) cc_final: 0.7768 (tptp) REVERT: x 106 GLU cc_start: 0.6903 (OUTLIER) cc_final: 0.6658 (mm-30) REVERT: x 162 ASP cc_start: 0.8032 (OUTLIER) cc_final: 0.7694 (m-30) REVERT: x 175 ASP cc_start: 0.7943 (m-30) cc_final: 0.7691 (m-30) REVERT: x 179 ASN cc_start: 0.8195 (OUTLIER) cc_final: 0.7963 (m110) outliers start: 551 outliers final: 216 residues processed: 1374 average time/residue: 2.0342 time to fit residues: 3810.7734 Evaluate side-chains 1183 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 346 poor density : 837 time to evaluate : 10.933 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 126 SER Chi-restraints excluded: chain A residue 160 SER Chi-restraints excluded: chain A residue 162 ASP Chi-restraints excluded: chain A residue 233 ASP Chi-restraints excluded: chain B residue 13 GLU Chi-restraints excluded: chain B residue 106 GLU Chi-restraints excluded: chain B residue 126 SER Chi-restraints excluded: chain B residue 160 SER Chi-restraints excluded: chain B residue 162 ASP Chi-restraints excluded: chain B residue 175 ASP Chi-restraints excluded: chain B residue 179 ASN Chi-restraints excluded: chain B residue 182 LYS Chi-restraints excluded: chain B residue 233 ASP Chi-restraints excluded: chain B residue 253 LEU Chi-restraints excluded: chain B residue 257 LYS Chi-restraints excluded: chain C residue 126 SER Chi-restraints excluded: chain C residue 257 LYS Chi-restraints excluded: chain D residue 106 GLU Chi-restraints excluded: chain D residue 126 SER Chi-restraints excluded: chain D residue 160 SER Chi-restraints excluded: chain D residue 162 ASP Chi-restraints excluded: chain D residue 233 ASP Chi-restraints excluded: chain D residue 253 LEU Chi-restraints excluded: chain D residue 257 LYS Chi-restraints excluded: chain E residue 106 GLU Chi-restraints excluded: chain E residue 126 SER Chi-restraints excluded: chain E residue 160 SER Chi-restraints excluded: chain E residue 162 ASP Chi-restraints excluded: chain E residue 179 ASN Chi-restraints excluded: chain F residue 106 GLU Chi-restraints excluded: chain F residue 126 SER Chi-restraints excluded: chain F residue 160 SER Chi-restraints excluded: chain F residue 162 ASP Chi-restraints excluded: chain F residue 179 ASN Chi-restraints excluded: chain G residue 106 GLU Chi-restraints excluded: chain G residue 126 SER Chi-restraints excluded: chain G residue 160 SER Chi-restraints excluded: chain G residue 162 ASP Chi-restraints excluded: chain G residue 233 ASP Chi-restraints excluded: chain H residue 106 GLU Chi-restraints excluded: chain H residue 126 SER Chi-restraints excluded: chain H residue 160 SER Chi-restraints excluded: chain H residue 162 ASP Chi-restraints excluded: chain H residue 175 ASP Chi-restraints excluded: chain H residue 179 ASN Chi-restraints excluded: chain H residue 182 LYS Chi-restraints excluded: chain H residue 233 ASP Chi-restraints excluded: chain H residue 253 LEU Chi-restraints excluded: chain H residue 257 LYS Chi-restraints excluded: chain I residue 126 SER Chi-restraints excluded: chain I residue 257 LYS Chi-restraints excluded: chain J residue 106 GLU Chi-restraints excluded: chain J residue 126 SER Chi-restraints excluded: chain J residue 160 SER Chi-restraints excluded: chain J residue 162 ASP Chi-restraints excluded: chain J residue 233 ASP Chi-restraints excluded: chain J residue 253 LEU Chi-restraints excluded: chain J residue 257 LYS Chi-restraints excluded: chain K residue 106 GLU Chi-restraints excluded: chain K residue 126 SER Chi-restraints excluded: chain K residue 160 SER Chi-restraints excluded: chain K residue 162 ASP Chi-restraints excluded: chain K residue 233 ASP Chi-restraints excluded: chain K residue 253 LEU Chi-restraints excluded: chain K residue 257 LYS Chi-restraints excluded: chain L residue 106 GLU Chi-restraints excluded: chain L residue 126 SER Chi-restraints excluded: chain L residue 160 SER Chi-restraints excluded: chain L residue 162 ASP Chi-restraints excluded: chain L residue 179 ASN Chi-restraints excluded: chain M residue 126 SER Chi-restraints excluded: chain M residue 160 SER Chi-restraints excluded: chain M residue 162 ASP Chi-restraints excluded: chain M residue 233 ASP Chi-restraints excluded: chain N residue 106 GLU Chi-restraints excluded: chain N residue 126 SER Chi-restraints excluded: chain N residue 160 SER Chi-restraints excluded: chain N residue 162 ASP Chi-restraints excluded: chain N residue 175 ASP Chi-restraints excluded: chain N residue 179 ASN Chi-restraints excluded: chain N residue 182 LYS Chi-restraints excluded: chain N residue 233 ASP Chi-restraints excluded: chain N residue 253 LEU Chi-restraints excluded: chain N residue 257 LYS Chi-restraints excluded: chain O residue 126 SER Chi-restraints excluded: chain O residue 257 LYS Chi-restraints excluded: chain P residue 126 SER Chi-restraints excluded: chain P residue 257 LYS Chi-restraints excluded: chain Q residue 106 GLU Chi-restraints excluded: chain Q residue 126 SER Chi-restraints excluded: chain Q residue 160 SER Chi-restraints excluded: chain Q residue 162 ASP Chi-restraints excluded: chain Q residue 233 ASP Chi-restraints excluded: chain Q residue 253 LEU Chi-restraints excluded: chain Q residue 257 LYS Chi-restraints excluded: chain R residue 106 GLU Chi-restraints excluded: chain R residue 126 SER Chi-restraints excluded: chain R residue 160 SER Chi-restraints excluded: chain R residue 162 ASP Chi-restraints excluded: chain R residue 179 ASN Chi-restraints excluded: chain S residue 126 SER Chi-restraints excluded: chain S residue 160 SER Chi-restraints excluded: chain S residue 162 ASP Chi-restraints excluded: chain S residue 233 ASP Chi-restraints excluded: chain T residue 13 GLU Chi-restraints excluded: chain T residue 106 GLU Chi-restraints excluded: chain T residue 126 SER Chi-restraints excluded: chain T residue 160 SER Chi-restraints excluded: chain T residue 162 ASP Chi-restraints excluded: chain T residue 175 ASP Chi-restraints excluded: chain T residue 179 ASN Chi-restraints excluded: chain T residue 182 LYS Chi-restraints excluded: chain T residue 233 ASP Chi-restraints excluded: chain T residue 253 LEU Chi-restraints excluded: chain T residue 257 LYS Chi-restraints excluded: chain U residue 106 GLU Chi-restraints excluded: chain U residue 126 SER Chi-restraints excluded: chain U residue 160 SER Chi-restraints excluded: chain U residue 162 ASP Chi-restraints excluded: chain U residue 179 ASN Chi-restraints excluded: chain V residue 106 GLU Chi-restraints excluded: chain V residue 126 SER Chi-restraints excluded: chain V residue 160 SER Chi-restraints excluded: chain V residue 162 ASP Chi-restraints excluded: chain V residue 233 ASP Chi-restraints excluded: chain W residue 13 GLU Chi-restraints excluded: chain W residue 106 GLU Chi-restraints excluded: chain W residue 126 SER Chi-restraints excluded: chain W residue 160 SER Chi-restraints excluded: chain W residue 162 ASP Chi-restraints excluded: chain W residue 175 ASP Chi-restraints excluded: chain W residue 179 ASN Chi-restraints excluded: chain W residue 182 LYS Chi-restraints excluded: chain W residue 233 ASP Chi-restraints excluded: chain W residue 253 LEU Chi-restraints excluded: chain W residue 257 LYS Chi-restraints excluded: chain X residue 126 SER Chi-restraints excluded: chain X residue 257 LYS Chi-restraints excluded: chain Y residue 106 GLU Chi-restraints excluded: chain Y residue 126 SER Chi-restraints excluded: chain Y residue 160 SER Chi-restraints excluded: chain Y residue 162 ASP Chi-restraints excluded: chain Y residue 233 ASP Chi-restraints excluded: chain Y residue 253 LEU Chi-restraints excluded: chain Y residue 257 LYS Chi-restraints excluded: chain Z residue 126 SER Chi-restraints excluded: chain Z residue 160 SER Chi-restraints excluded: chain Z residue 162 ASP Chi-restraints excluded: chain Z residue 233 ASP Chi-restraints excluded: chain 0 residue 13 GLU Chi-restraints excluded: chain 0 residue 106 GLU Chi-restraints excluded: chain 0 residue 126 SER Chi-restraints excluded: chain 0 residue 160 SER Chi-restraints excluded: chain 0 residue 162 ASP Chi-restraints excluded: chain 0 residue 175 ASP Chi-restraints excluded: chain 0 residue 179 ASN Chi-restraints excluded: chain 0 residue 182 LYS Chi-restraints excluded: chain 0 residue 233 ASP Chi-restraints excluded: chain 0 residue 253 LEU Chi-restraints excluded: chain 0 residue 257 LYS Chi-restraints excluded: chain 1 residue 126 SER Chi-restraints excluded: chain 1 residue 257 LYS Chi-restraints excluded: chain 2 residue 106 GLU Chi-restraints excluded: chain 2 residue 126 SER Chi-restraints excluded: chain 2 residue 160 SER Chi-restraints excluded: chain 2 residue 162 ASP Chi-restraints excluded: chain 2 residue 233 ASP Chi-restraints excluded: chain 2 residue 253 LEU Chi-restraints excluded: chain 2 residue 257 LYS Chi-restraints excluded: chain 3 residue 106 GLU Chi-restraints excluded: chain 3 residue 126 SER Chi-restraints excluded: chain 3 residue 160 SER Chi-restraints excluded: chain 3 residue 162 ASP Chi-restraints excluded: chain 3 residue 179 ASN Chi-restraints excluded: chain 4 residue 126 SER Chi-restraints excluded: chain 4 residue 257 LYS Chi-restraints excluded: chain 5 residue 106 GLU Chi-restraints excluded: chain 5 residue 126 SER Chi-restraints excluded: chain 5 residue 160 SER Chi-restraints excluded: chain 5 residue 162 ASP Chi-restraints excluded: chain 5 residue 233 ASP Chi-restraints excluded: chain 5 residue 253 LEU Chi-restraints excluded: chain 5 residue 257 LYS Chi-restraints excluded: chain 6 residue 106 GLU Chi-restraints excluded: chain 6 residue 126 SER Chi-restraints excluded: chain 6 residue 160 SER Chi-restraints excluded: chain 6 residue 162 ASP Chi-restraints excluded: chain 6 residue 179 ASN Chi-restraints excluded: chain 7 residue 126 SER Chi-restraints excluded: chain 7 residue 160 SER Chi-restraints excluded: chain 7 residue 162 ASP Chi-restraints excluded: chain 7 residue 233 ASP Chi-restraints excluded: chain 8 residue 13 GLU Chi-restraints excluded: chain 8 residue 106 GLU Chi-restraints excluded: chain 8 residue 126 SER Chi-restraints excluded: chain 8 residue 160 SER Chi-restraints excluded: chain 8 residue 162 ASP Chi-restraints excluded: chain 8 residue 175 ASP Chi-restraints excluded: chain 8 residue 179 ASN Chi-restraints excluded: chain 8 residue 182 LYS Chi-restraints excluded: chain 8 residue 233 ASP Chi-restraints excluded: chain 8 residue 253 LEU Chi-restraints excluded: chain 8 residue 257 LYS Chi-restraints excluded: chain 9 residue 106 GLU Chi-restraints excluded: chain 9 residue 126 SER Chi-restraints excluded: chain 9 residue 160 SER Chi-restraints excluded: chain 9 residue 162 ASP Chi-restraints excluded: chain 9 residue 233 ASP Chi-restraints excluded: chain 9 residue 253 LEU Chi-restraints excluded: chain 9 residue 257 LYS Chi-restraints excluded: chain a residue 106 GLU Chi-restraints excluded: chain a residue 126 SER Chi-restraints excluded: chain a residue 160 SER Chi-restraints excluded: chain a residue 162 ASP Chi-restraints excluded: chain a residue 179 ASN Chi-restraints excluded: chain b residue 126 SER Chi-restraints excluded: chain b residue 160 SER Chi-restraints excluded: chain b residue 162 ASP Chi-restraints excluded: chain b residue 233 ASP Chi-restraints excluded: chain c residue 106 GLU Chi-restraints excluded: chain c residue 126 SER Chi-restraints excluded: chain c residue 160 SER Chi-restraints excluded: chain c residue 162 ASP Chi-restraints excluded: chain c residue 175 ASP Chi-restraints excluded: chain c residue 179 ASN Chi-restraints excluded: chain c residue 182 LYS Chi-restraints excluded: chain c residue 233 ASP Chi-restraints excluded: chain c residue 253 LEU Chi-restraints excluded: chain c residue 257 LYS Chi-restraints excluded: chain d residue 126 SER Chi-restraints excluded: chain d residue 257 LYS Chi-restraints excluded: chain e residue 126 SER Chi-restraints excluded: chain e residue 257 LYS Chi-restraints excluded: chain f residue 106 GLU Chi-restraints excluded: chain f residue 126 SER Chi-restraints excluded: chain f residue 160 SER Chi-restraints excluded: chain f residue 162 ASP Chi-restraints excluded: chain f residue 233 ASP Chi-restraints excluded: chain f residue 253 LEU Chi-restraints excluded: chain f residue 257 LYS Chi-restraints excluded: chain g residue 106 GLU Chi-restraints excluded: chain g residue 126 SER Chi-restraints excluded: chain g residue 160 SER Chi-restraints excluded: chain g residue 162 ASP Chi-restraints excluded: chain g residue 179 ASN Chi-restraints excluded: chain h residue 126 SER Chi-restraints excluded: chain h residue 160 SER Chi-restraints excluded: chain h residue 162 ASP Chi-restraints excluded: chain h residue 233 ASP Chi-restraints excluded: chain i residue 106 GLU Chi-restraints excluded: chain i residue 126 SER Chi-restraints excluded: chain i residue 160 SER Chi-restraints excluded: chain i residue 162 ASP Chi-restraints excluded: chain i residue 175 ASP Chi-restraints excluded: chain i residue 179 ASN Chi-restraints excluded: chain i residue 182 LYS Chi-restraints excluded: chain i residue 233 ASP Chi-restraints excluded: chain i residue 253 LEU Chi-restraints excluded: chain i residue 257 LYS Chi-restraints excluded: chain j residue 106 GLU Chi-restraints excluded: chain j residue 126 SER Chi-restraints excluded: chain j residue 160 SER Chi-restraints excluded: chain j residue 162 ASP Chi-restraints excluded: chain j residue 233 ASP Chi-restraints excluded: chain j residue 253 LEU Chi-restraints excluded: chain j residue 257 LYS Chi-restraints excluded: chain k residue 106 GLU Chi-restraints excluded: chain k residue 126 SER Chi-restraints excluded: chain k residue 160 SER Chi-restraints excluded: chain k residue 162 ASP Chi-restraints excluded: chain k residue 179 ASN Chi-restraints excluded: chain l residue 106 GLU Chi-restraints excluded: chain l residue 126 SER Chi-restraints excluded: chain l residue 160 SER Chi-restraints excluded: chain l residue 162 ASP Chi-restraints excluded: chain l residue 233 ASP Chi-restraints excluded: chain m residue 106 GLU Chi-restraints excluded: chain m residue 126 SER Chi-restraints excluded: chain m residue 160 SER Chi-restraints excluded: chain m residue 162 ASP Chi-restraints excluded: chain m residue 175 ASP Chi-restraints excluded: chain m residue 179 ASN Chi-restraints excluded: chain m residue 182 LYS Chi-restraints excluded: chain m residue 233 ASP Chi-restraints excluded: chain m residue 253 LEU Chi-restraints excluded: chain m residue 257 LYS Chi-restraints excluded: chain n residue 126 SER Chi-restraints excluded: chain n residue 257 LYS Chi-restraints excluded: chain o residue 106 GLU Chi-restraints excluded: chain o residue 126 SER Chi-restraints excluded: chain o residue 160 SER Chi-restraints excluded: chain o residue 162 ASP Chi-restraints excluded: chain o residue 179 ASN Chi-restraints excluded: chain p residue 126 SER Chi-restraints excluded: chain p residue 160 SER Chi-restraints excluded: chain p residue 162 ASP Chi-restraints excluded: chain p residue 233 ASP Chi-restraints excluded: chain q residue 13 GLU Chi-restraints excluded: chain q residue 106 GLU Chi-restraints excluded: chain q residue 126 SER Chi-restraints excluded: chain q residue 160 SER Chi-restraints excluded: chain q residue 162 ASP Chi-restraints excluded: chain q residue 175 ASP Chi-restraints excluded: chain q residue 179 ASN Chi-restraints excluded: chain q residue 182 LYS Chi-restraints excluded: chain q residue 233 ASP Chi-restraints excluded: chain q residue 253 LEU Chi-restraints excluded: chain q residue 257 LYS Chi-restraints excluded: chain r residue 126 SER Chi-restraints excluded: chain r residue 257 LYS Chi-restraints excluded: chain s residue 106 GLU Chi-restraints excluded: chain s residue 126 SER Chi-restraints excluded: chain s residue 160 SER Chi-restraints excluded: chain s residue 162 ASP Chi-restraints excluded: chain s residue 233 ASP Chi-restraints excluded: chain s residue 253 LEU Chi-restraints excluded: chain s residue 257 LYS Chi-restraints excluded: chain t residue 126 SER Chi-restraints excluded: chain t residue 160 SER Chi-restraints excluded: chain t residue 162 ASP Chi-restraints excluded: chain t residue 233 ASP Chi-restraints excluded: chain u residue 13 GLU Chi-restraints excluded: chain u residue 106 GLU Chi-restraints excluded: chain u residue 126 SER Chi-restraints excluded: chain u residue 160 SER Chi-restraints excluded: chain u residue 162 ASP Chi-restraints excluded: chain u residue 175 ASP Chi-restraints excluded: chain u residue 179 ASN Chi-restraints excluded: chain u residue 182 LYS Chi-restraints excluded: chain u residue 233 ASP Chi-restraints excluded: chain u residue 253 LEU Chi-restraints excluded: chain u residue 257 LYS Chi-restraints excluded: chain v residue 126 SER Chi-restraints excluded: chain v residue 257 LYS Chi-restraints excluded: chain w residue 106 GLU Chi-restraints excluded: chain w residue 126 SER Chi-restraints excluded: chain w residue 160 SER Chi-restraints excluded: chain w residue 162 ASP Chi-restraints excluded: chain w residue 233 ASP Chi-restraints excluded: chain w residue 253 LEU Chi-restraints excluded: chain w residue 257 LYS Chi-restraints excluded: chain x residue 106 GLU Chi-restraints excluded: chain x residue 126 SER Chi-restraints excluded: chain x residue 160 SER Chi-restraints excluded: chain x residue 162 ASP Chi-restraints excluded: chain x residue 179 ASN 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: 4.9990 chunk 1133 optimal weight: 6.9990 chunk 927 optimal weight: 6.9990 chunk 375 optimal weight: 5.9990 chunk 1364 optimal weight: 10.0000 chunk 1474 optimal weight: 5.9990 chunk 1215 optimal weight: 9.9990 chunk 1353 optimal weight: 2.9990 chunk 465 optimal weight: 9.9990 chunk 1094 optimal weight: 10.0000 overall best weight: 4.3990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 21 ASN B 21 ASN D 21 ASN G 21 ASN H 21 ASN J 21 ASN K 21 ASN M 21 ASN N 21 ASN Q 21 ASN S 21 ASN T 21 ASN V 21 ASN W 21 ASN Y 21 ASN Z 21 ASN 0 21 ASN 2 21 ASN 5 21 ASN 7 21 ASN 8 21 ASN 9 21 ASN b 21 ASN c 21 ASN f 21 ASN h 21 ASN i 21 ASN j 21 ASN l 21 ASN m 21 ASN p 21 ASN q 21 ASN s 21 ASN t 21 ASN u 21 ASN w 21 ASN Total number of N/Q/H flips: 36 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8205 moved from start: 0.1106 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.029 129900 Z= 0.306 Angle : 0.821 6.863 175440 Z= 0.440 Chirality : 0.050 0.170 19380 Planarity : 0.006 0.047 22320 Dihedral : 8.615 59.840 18156 Min Nonbonded Distance : 2.190 Molprobity Statistics. All-atom Clashscore : 3.53 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.28 % Favored : 95.72 % Rotamer: Outliers : 4.26 % Allowed : 13.68 % Favored : 82.05 % 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: -2.59 (0.06), residues: 15360 helix: -1.16 (0.08), residues: 4020 sheet: -0.32 (0.14), residues: 1380 loop : -2.31 (0.05), residues: 9960 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.001 TRP v 45 HIS 0.006 0.003 HIS g 50 PHE 0.014 0.002 PHE s 114 TYR 0.011 0.002 TYR 3 47 ARG 0.003 0.000 ARG 5 79 *********************** 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 1479 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 586 poor density : 893 time to evaluate : 10.985 Fit side-chains REVERT: A 106 GLU cc_start: 0.6942 (OUTLIER) cc_final: 0.6312 (mm-30) REVERT: A 162 ASP cc_start: 0.7927 (OUTLIER) cc_final: 0.7698 (m-30) REVERT: B 13 GLU cc_start: 0.7197 (OUTLIER) cc_final: 0.6976 (mt-10) REVERT: B 179 ASN cc_start: 0.8180 (OUTLIER) cc_final: 0.7920 (m110) REVERT: B 257 LYS cc_start: 0.8118 (OUTLIER) cc_final: 0.7874 (tptp) REVERT: C 24 ARG cc_start: 0.8065 (ttm110) cc_final: 0.7798 (ttp-110) REVERT: C 253 LEU cc_start: 0.8362 (OUTLIER) cc_final: 0.7952 (tp) REVERT: C 257 LYS cc_start: 0.7997 (OUTLIER) cc_final: 0.7730 (tptp) REVERT: D 175 ASP cc_start: 0.7906 (m-30) cc_final: 0.7680 (m-30) REVERT: D 257 LYS cc_start: 0.7908 (OUTLIER) cc_final: 0.7615 (tptp) REVERT: E 106 GLU cc_start: 0.6897 (OUTLIER) cc_final: 0.6645 (mm-30) REVERT: E 162 ASP cc_start: 0.8013 (OUTLIER) cc_final: 0.7674 (m-30) REVERT: E 175 ASP cc_start: 0.7944 (m-30) cc_final: 0.7692 (m-30) REVERT: E 179 ASN cc_start: 0.8165 (OUTLIER) cc_final: 0.7921 (m-40) REVERT: F 106 GLU cc_start: 0.6891 (OUTLIER) cc_final: 0.6660 (mm-30) REVERT: F 162 ASP cc_start: 0.8011 (OUTLIER) cc_final: 0.7671 (m-30) REVERT: F 175 ASP cc_start: 0.7938 (m-30) cc_final: 0.7691 (m-30) REVERT: F 179 ASN cc_start: 0.8166 (OUTLIER) cc_final: 0.7927 (m-40) REVERT: G 162 ASP cc_start: 0.7927 (OUTLIER) cc_final: 0.7697 (m-30) REVERT: H 179 ASN cc_start: 0.8179 (OUTLIER) cc_final: 0.7918 (m110) REVERT: H 257 LYS cc_start: 0.8118 (OUTLIER) cc_final: 0.7874 (tptp) REVERT: I 24 ARG cc_start: 0.8065 (ttm110) cc_final: 0.7800 (ttp-110) REVERT: I 253 LEU cc_start: 0.8361 (OUTLIER) cc_final: 0.7952 (tp) REVERT: I 257 LYS cc_start: 0.7999 (OUTLIER) cc_final: 0.7731 (tptp) REVERT: J 175 ASP cc_start: 0.7908 (m-30) cc_final: 0.7683 (m-30) REVERT: J 257 LYS cc_start: 0.7905 (OUTLIER) cc_final: 0.7613 (tptp) REVERT: K 175 ASP cc_start: 0.7907 (m-30) cc_final: 0.7683 (m-30) REVERT: K 257 LYS cc_start: 0.7905 (OUTLIER) cc_final: 0.7613 (tptp) REVERT: L 106 GLU cc_start: 0.6894 (OUTLIER) cc_final: 0.6662 (mm-30) REVERT: L 162 ASP cc_start: 0.8011 (OUTLIER) cc_final: 0.7674 (m-30) REVERT: L 175 ASP cc_start: 0.7946 (m-30) cc_final: 0.7692 (m-30) REVERT: L 179 ASN cc_start: 0.8162 (OUTLIER) cc_final: 0.7926 (m-40) REVERT: M 106 GLU cc_start: 0.6941 (OUTLIER) cc_final: 0.6313 (mm-30) REVERT: M 162 ASP cc_start: 0.7927 (OUTLIER) cc_final: 0.7692 (m-30) REVERT: N 179 ASN cc_start: 0.8182 (OUTLIER) cc_final: 0.7924 (m110) REVERT: N 257 LYS cc_start: 0.8117 (OUTLIER) cc_final: 0.7874 (tptp) REVERT: O 24 ARG cc_start: 0.8066 (ttm110) cc_final: 0.7801 (ttp-110) REVERT: O 253 LEU cc_start: 0.8363 (OUTLIER) cc_final: 0.7954 (tp) REVERT: O 257 LYS cc_start: 0.8001 (OUTLIER) cc_final: 0.7730 (tptp) REVERT: P 24 ARG cc_start: 0.8066 (ttm110) cc_final: 0.7797 (ttp-110) REVERT: P 253 LEU cc_start: 0.8362 (OUTLIER) cc_final: 0.7955 (tp) REVERT: P 257 LYS cc_start: 0.7997 (OUTLIER) cc_final: 0.7732 (tptp) REVERT: Q 175 ASP cc_start: 0.7904 (m-30) cc_final: 0.7680 (m-30) REVERT: Q 257 LYS cc_start: 0.7905 (OUTLIER) cc_final: 0.7615 (tptp) REVERT: R 106 GLU cc_start: 0.6895 (OUTLIER) cc_final: 0.6643 (mm-30) REVERT: R 162 ASP cc_start: 0.8012 (OUTLIER) cc_final: 0.7674 (m-30) REVERT: R 175 ASP cc_start: 0.7943 (m-30) cc_final: 0.7690 (m-30) REVERT: R 179 ASN cc_start: 0.8165 (OUTLIER) cc_final: 0.7925 (m-40) REVERT: S 106 GLU cc_start: 0.6944 (OUTLIER) cc_final: 0.6314 (mm-30) REVERT: S 162 ASP cc_start: 0.7925 (OUTLIER) cc_final: 0.7693 (m-30) REVERT: T 13 GLU cc_start: 0.7196 (OUTLIER) cc_final: 0.6972 (mt-10) REVERT: T 179 ASN cc_start: 0.8183 (OUTLIER) cc_final: 0.7925 (m110) REVERT: T 257 LYS cc_start: 0.8115 (OUTLIER) cc_final: 0.7872 (tptp) REVERT: U 106 GLU cc_start: 0.6897 (OUTLIER) cc_final: 0.6663 (mm-30) REVERT: U 162 ASP cc_start: 0.8012 (OUTLIER) cc_final: 0.7672 (m-30) REVERT: U 175 ASP cc_start: 0.7945 (m-30) cc_final: 0.7694 (m-30) REVERT: U 179 ASN cc_start: 0.8165 (OUTLIER) cc_final: 0.7923 (m-40) REVERT: V 162 ASP cc_start: 0.7926 (OUTLIER) cc_final: 0.7693 (m-30) REVERT: W 13 GLU cc_start: 0.7196 (OUTLIER) cc_final: 0.6974 (mt-10) REVERT: W 179 ASN cc_start: 0.8186 (OUTLIER) cc_final: 0.7923 (m110) REVERT: W 257 LYS cc_start: 0.8118 (OUTLIER) cc_final: 0.7874 (tptp) REVERT: X 24 ARG cc_start: 0.8065 (ttm110) cc_final: 0.7803 (ttp-110) REVERT: X 253 LEU cc_start: 0.8361 (OUTLIER) cc_final: 0.7952 (tp) REVERT: X 257 LYS cc_start: 0.7997 (OUTLIER) cc_final: 0.7730 (tptp) REVERT: Y 175 ASP cc_start: 0.7907 (m-30) cc_final: 0.7683 (m-30) REVERT: Y 257 LYS cc_start: 0.7908 (OUTLIER) cc_final: 0.7614 (tptp) REVERT: Z 162 ASP cc_start: 0.7926 (OUTLIER) cc_final: 0.7694 (m-30) REVERT: 0 13 GLU cc_start: 0.7198 (OUTLIER) cc_final: 0.6973 (mt-10) REVERT: 0 179 ASN cc_start: 0.8181 (OUTLIER) cc_final: 0.7921 (m110) REVERT: 0 257 LYS cc_start: 0.8117 (OUTLIER) cc_final: 0.7873 (tptp) REVERT: 1 24 ARG cc_start: 0.8068 (ttm110) cc_final: 0.7799 (ttp-110) REVERT: 1 253 LEU cc_start: 0.8363 (OUTLIER) cc_final: 0.7952 (tp) REVERT: 1 257 LYS cc_start: 0.7999 (OUTLIER) cc_final: 0.7729 (tptp) REVERT: 2 175 ASP cc_start: 0.7904 (m-30) cc_final: 0.7680 (m-30) REVERT: 2 257 LYS cc_start: 0.7905 (OUTLIER) cc_final: 0.7612 (tptp) REVERT: 3 106 GLU cc_start: 0.6892 (OUTLIER) cc_final: 0.6661 (mm-30) REVERT: 3 162 ASP cc_start: 0.8011 (OUTLIER) cc_final: 0.7670 (m-30) REVERT: 3 175 ASP cc_start: 0.7940 (m-30) cc_final: 0.7692 (m-30) REVERT: 3 179 ASN cc_start: 0.8166 (OUTLIER) cc_final: 0.7927 (m-40) REVERT: 4 24 ARG cc_start: 0.8064 (ttm110) cc_final: 0.7795 (ttp-110) REVERT: 4 253 LEU cc_start: 0.8362 (OUTLIER) cc_final: 0.7953 (tp) REVERT: 4 257 LYS cc_start: 0.7997 (OUTLIER) cc_final: 0.7730 (tptp) REVERT: 5 175 ASP cc_start: 0.7907 (m-30) cc_final: 0.7682 (m-30) REVERT: 5 257 LYS cc_start: 0.7908 (OUTLIER) cc_final: 0.7616 (tptp) REVERT: 6 106 GLU cc_start: 0.6893 (OUTLIER) cc_final: 0.6643 (mm-30) REVERT: 6 162 ASP cc_start: 0.8010 (OUTLIER) cc_final: 0.7672 (m-30) REVERT: 6 175 ASP cc_start: 0.7942 (m-30) cc_final: 0.7691 (m-30) REVERT: 6 179 ASN cc_start: 0.8164 (OUTLIER) cc_final: 0.7922 (m-40) REVERT: 7 106 GLU cc_start: 0.6939 (OUTLIER) cc_final: 0.6311 (mm-30) REVERT: 7 162 ASP cc_start: 0.7926 (OUTLIER) cc_final: 0.7698 (m-30) REVERT: 8 13 GLU cc_start: 0.7199 (OUTLIER) cc_final: 0.6978 (mt-10) REVERT: 8 179 ASN cc_start: 0.8179 (OUTLIER) cc_final: 0.7920 (m110) REVERT: 8 257 LYS cc_start: 0.8118 (OUTLIER) cc_final: 0.7875 (tptp) REVERT: 9 175 ASP cc_start: 0.7914 (m-30) cc_final: 0.7691 (m-30) REVERT: 9 257 LYS cc_start: 0.7908 (OUTLIER) cc_final: 0.7615 (tptp) REVERT: a 106 GLU cc_start: 0.6896 (OUTLIER) cc_final: 0.6647 (mm-30) REVERT: a 162 ASP cc_start: 0.8008 (OUTLIER) cc_final: 0.7669 (m-30) REVERT: a 175 ASP cc_start: 0.7941 (m-30) cc_final: 0.7692 (m-30) REVERT: a 179 ASN cc_start: 0.8163 (OUTLIER) cc_final: 0.7920 (m-40) REVERT: b 106 GLU cc_start: 0.6942 (OUTLIER) cc_final: 0.6318 (mm-30) REVERT: b 162 ASP cc_start: 0.7928 (OUTLIER) cc_final: 0.7692 (m-30) REVERT: c 179 ASN cc_start: 0.8181 (OUTLIER) cc_final: 0.7921 (m110) REVERT: c 257 LYS cc_start: 0.8118 (OUTLIER) cc_final: 0.7873 (tptp) REVERT: d 24 ARG cc_start: 0.8066 (ttm110) cc_final: 0.7801 (ttp-110) REVERT: d 253 LEU cc_start: 0.8367 (OUTLIER) cc_final: 0.7958 (tp) REVERT: d 257 LYS cc_start: 0.7994 (OUTLIER) cc_final: 0.7728 (tptp) REVERT: e 24 ARG cc_start: 0.8063 (ttm110) cc_final: 0.7801 (ttp-110) REVERT: e 253 LEU cc_start: 0.8367 (OUTLIER) cc_final: 0.7957 (tp) REVERT: e 257 LYS cc_start: 0.7997 (OUTLIER) cc_final: 0.7729 (tptp) REVERT: f 175 ASP cc_start: 0.7906 (m-30) cc_final: 0.7684 (m-30) REVERT: f 257 LYS cc_start: 0.7905 (OUTLIER) cc_final: 0.7613 (tptp) REVERT: g 106 GLU cc_start: 0.6895 (OUTLIER) cc_final: 0.6666 (mm-30) REVERT: g 162 ASP cc_start: 0.8009 (OUTLIER) cc_final: 0.7669 (m-30) REVERT: g 175 ASP cc_start: 0.7938 (m-30) cc_final: 0.7694 (m-30) REVERT: g 179 ASN cc_start: 0.8164 (OUTLIER) cc_final: 0.7920 (m-40) REVERT: h 106 GLU cc_start: 0.6941 (OUTLIER) cc_final: 0.6315 (mm-30) REVERT: h 162 ASP cc_start: 0.7929 (OUTLIER) cc_final: 0.7694 (m-30) REVERT: i 179 ASN cc_start: 0.8183 (OUTLIER) cc_final: 0.7924 (m110) REVERT: i 257 LYS cc_start: 0.8119 (OUTLIER) cc_final: 0.7873 (tptp) REVERT: j 175 ASP cc_start: 0.7907 (m-30) cc_final: 0.7684 (m-30) REVERT: j 257 LYS cc_start: 0.7905 (OUTLIER) cc_final: 0.7612 (tptp) REVERT: k 106 GLU cc_start: 0.6894 (OUTLIER) cc_final: 0.6658 (mm-30) REVERT: k 162 ASP cc_start: 0.8013 (OUTLIER) cc_final: 0.7673 (m-30) REVERT: k 175 ASP cc_start: 0.7947 (m-30) cc_final: 0.7696 (m-30) REVERT: k 179 ASN cc_start: 0.8166 (OUTLIER) cc_final: 0.7921 (m-40) REVERT: l 162 ASP cc_start: 0.7926 (OUTLIER) cc_final: 0.7691 (m-30) REVERT: m 179 ASN cc_start: 0.8186 (OUTLIER) cc_final: 0.7924 (m110) REVERT: m 257 LYS cc_start: 0.8115 (OUTLIER) cc_final: 0.7873 (tptp) REVERT: n 24 ARG cc_start: 0.8066 (ttm110) cc_final: 0.7800 (ttp-110) REVERT: n 253 LEU cc_start: 0.8360 (OUTLIER) cc_final: 0.7950 (tp) REVERT: n 257 LYS cc_start: 0.7999 (OUTLIER) cc_final: 0.7731 (tptp) REVERT: o 106 GLU cc_start: 0.6895 (OUTLIER) cc_final: 0.6665 (mm-30) REVERT: o 162 ASP cc_start: 0.8008 (OUTLIER) cc_final: 0.7668 (m-30) REVERT: o 175 ASP cc_start: 0.7941 (m-30) cc_final: 0.7687 (m-30) REVERT: o 179 ASN cc_start: 0.8160 (OUTLIER) cc_final: 0.7917 (m-40) REVERT: p 106 GLU cc_start: 0.6941 (OUTLIER) cc_final: 0.6311 (mm-30) REVERT: p 162 ASP cc_start: 0.7925 (OUTLIER) cc_final: 0.7693 (m-30) REVERT: q 13 GLU cc_start: 0.7202 (OUTLIER) cc_final: 0.6990 (mt-10) REVERT: q 179 ASN cc_start: 0.8184 (OUTLIER) cc_final: 0.7925 (m110) REVERT: q 257 LYS cc_start: 0.8123 (OUTLIER) cc_final: 0.7880 (tptp) REVERT: r 24 ARG cc_start: 0.8066 (ttm110) cc_final: 0.7800 (ttp-110) REVERT: r 253 LEU cc_start: 0.8367 (OUTLIER) cc_final: 0.7958 (tp) REVERT: r 257 LYS cc_start: 0.7994 (OUTLIER) cc_final: 0.7728 (tptp) REVERT: s 175 ASP cc_start: 0.7908 (m-30) cc_final: 0.7683 (m-30) REVERT: s 257 LYS cc_start: 0.7910 (OUTLIER) cc_final: 0.7616 (tptp) REVERT: t 106 GLU cc_start: 0.6942 (OUTLIER) cc_final: 0.6322 (mm-30) REVERT: t 162 ASP cc_start: 0.7926 (OUTLIER) cc_final: 0.7695 (m-30) REVERT: u 13 GLU cc_start: 0.7196 (OUTLIER) cc_final: 0.6974 (mt-10) REVERT: u 179 ASN cc_start: 0.8185 (OUTLIER) cc_final: 0.7923 (m110) REVERT: u 257 LYS cc_start: 0.8115 (OUTLIER) cc_final: 0.7873 (tptp) REVERT: v 24 ARG cc_start: 0.8066 (ttm110) cc_final: 0.7801 (ttp-110) REVERT: v 253 LEU cc_start: 0.8362 (OUTLIER) cc_final: 0.7953 (tp) REVERT: v 257 LYS cc_start: 0.7997 (OUTLIER) cc_final: 0.7729 (tptp) REVERT: w 175 ASP cc_start: 0.7914 (m-30) cc_final: 0.7693 (m-30) REVERT: w 257 LYS cc_start: 0.7908 (OUTLIER) cc_final: 0.7614 (tptp) REVERT: x 106 GLU cc_start: 0.6891 (OUTLIER) cc_final: 0.6658 (mm-30) REVERT: x 162 ASP cc_start: 0.8011 (OUTLIER) cc_final: 0.7673 (m-30) REVERT: x 175 ASP cc_start: 0.7940 (m-30) cc_final: 0.7692 (m-30) REVERT: x 179 ASN cc_start: 0.8166 (OUTLIER) cc_final: 0.7926 (m-40) outliers start: 586 outliers final: 315 residues processed: 1328 average time/residue: 2.0348 time to fit residues: 3698.1762 Evaluate side-chains 1285 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 438 poor density : 847 time to evaluate : 10.838 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 1 MET Chi-restraints excluded: chain A residue 106 GLU Chi-restraints excluded: chain A residue 126 SER Chi-restraints excluded: chain A residue 160 SER Chi-restraints excluded: chain A residue 162 ASP Chi-restraints excluded: chain A residue 179 ASN Chi-restraints excluded: chain B residue 13 GLU Chi-restraints excluded: chain B residue 106 GLU Chi-restraints excluded: chain B residue 126 SER Chi-restraints excluded: chain B residue 160 SER Chi-restraints excluded: chain B residue 162 ASP Chi-restraints excluded: chain B residue 175 ASP Chi-restraints excluded: chain B residue 179 ASN Chi-restraints excluded: chain B residue 182 LYS Chi-restraints excluded: chain B residue 233 ASP Chi-restraints excluded: chain B residue 253 LEU Chi-restraints excluded: chain B residue 257 LYS Chi-restraints excluded: chain C residue 126 SER Chi-restraints excluded: chain C residue 162 ASP Chi-restraints excluded: chain C residue 182 LYS Chi-restraints excluded: chain C residue 253 LEU Chi-restraints excluded: chain C residue 257 LYS Chi-restraints excluded: chain D residue 126 SER Chi-restraints excluded: chain D residue 160 SER Chi-restraints excluded: chain D residue 162 ASP Chi-restraints excluded: chain D residue 233 ASP Chi-restraints excluded: chain D residue 240 THR Chi-restraints excluded: chain D residue 253 LEU Chi-restraints excluded: chain D residue 257 LYS Chi-restraints excluded: chain E residue 106 GLU Chi-restraints excluded: chain E residue 126 SER Chi-restraints excluded: chain E residue 160 SER Chi-restraints excluded: chain E residue 162 ASP Chi-restraints excluded: chain E residue 179 ASN Chi-restraints excluded: chain E residue 233 ASP Chi-restraints excluded: chain E residue 240 THR Chi-restraints excluded: chain E residue 253 LEU Chi-restraints excluded: chain F residue 106 GLU Chi-restraints excluded: chain F residue 126 SER Chi-restraints excluded: chain F residue 160 SER Chi-restraints excluded: chain F residue 162 ASP Chi-restraints excluded: chain F residue 179 ASN Chi-restraints excluded: chain F residue 233 ASP Chi-restraints excluded: chain F residue 240 THR Chi-restraints excluded: chain F residue 253 LEU Chi-restraints excluded: chain G residue 1 MET Chi-restraints excluded: chain G residue 126 SER Chi-restraints excluded: chain G residue 160 SER Chi-restraints excluded: chain G residue 162 ASP Chi-restraints excluded: chain G residue 179 ASN Chi-restraints excluded: chain H residue 106 GLU Chi-restraints excluded: chain H residue 126 SER Chi-restraints excluded: chain H residue 160 SER Chi-restraints excluded: chain H residue 162 ASP Chi-restraints excluded: chain H residue 175 ASP Chi-restraints excluded: chain H residue 179 ASN Chi-restraints excluded: chain H residue 182 LYS Chi-restraints excluded: chain H residue 233 ASP Chi-restraints excluded: chain H residue 253 LEU Chi-restraints excluded: chain H residue 257 LYS Chi-restraints excluded: chain I residue 126 SER Chi-restraints excluded: chain I residue 162 ASP Chi-restraints excluded: chain I residue 182 LYS Chi-restraints excluded: chain I residue 253 LEU Chi-restraints excluded: chain I residue 257 LYS Chi-restraints excluded: chain J residue 126 SER Chi-restraints excluded: chain J residue 160 SER Chi-restraints excluded: chain J residue 162 ASP Chi-restraints excluded: chain J residue 233 ASP Chi-restraints excluded: chain J residue 240 THR Chi-restraints excluded: chain J residue 253 LEU Chi-restraints excluded: chain J residue 257 LYS Chi-restraints excluded: chain K residue 126 SER Chi-restraints excluded: chain K residue 160 SER Chi-restraints excluded: chain K residue 162 ASP Chi-restraints excluded: chain K residue 233 ASP Chi-restraints excluded: chain K residue 240 THR Chi-restraints excluded: chain K residue 253 LEU Chi-restraints excluded: chain K residue 257 LYS Chi-restraints excluded: chain L residue 106 GLU Chi-restraints excluded: chain L residue 126 SER Chi-restraints excluded: chain L residue 160 SER Chi-restraints excluded: chain L residue 162 ASP Chi-restraints excluded: chain L residue 179 ASN Chi-restraints excluded: chain L residue 233 ASP Chi-restraints excluded: chain L residue 240 THR Chi-restraints excluded: chain L residue 253 LEU Chi-restraints excluded: chain M residue 1 MET Chi-restraints excluded: chain M residue 106 GLU Chi-restraints excluded: chain M residue 126 SER Chi-restraints excluded: chain M residue 160 SER Chi-restraints excluded: chain M residue 162 ASP Chi-restraints excluded: chain M residue 179 ASN Chi-restraints excluded: chain N residue 106 GLU Chi-restraints excluded: chain N residue 126 SER Chi-restraints excluded: chain N residue 160 SER Chi-restraints excluded: chain N residue 162 ASP Chi-restraints excluded: chain N residue 175 ASP Chi-restraints excluded: chain N residue 179 ASN Chi-restraints excluded: chain N residue 182 LYS Chi-restraints excluded: chain N residue 233 ASP Chi-restraints excluded: chain N residue 253 LEU Chi-restraints excluded: chain N residue 257 LYS Chi-restraints excluded: chain O residue 1 MET Chi-restraints excluded: chain O residue 126 SER Chi-restraints excluded: chain O residue 162 ASP Chi-restraints excluded: chain O residue 182 LYS Chi-restraints excluded: chain O residue 253 LEU Chi-restraints excluded: chain O residue 257 LYS Chi-restraints excluded: chain P residue 126 SER Chi-restraints excluded: chain P residue 162 ASP Chi-restraints excluded: chain P residue 182 LYS Chi-restraints excluded: chain P residue 253 LEU Chi-restraints excluded: chain P residue 257 LYS Chi-restraints excluded: chain Q residue 126 SER Chi-restraints excluded: chain Q residue 160 SER Chi-restraints excluded: chain Q residue 162 ASP Chi-restraints excluded: chain Q residue 233 ASP Chi-restraints excluded: chain Q residue 240 THR Chi-restraints excluded: chain Q residue 253 LEU Chi-restraints excluded: chain Q residue 257 LYS Chi-restraints excluded: chain R residue 106 GLU Chi-restraints excluded: chain R residue 126 SER Chi-restraints excluded: chain R residue 160 SER Chi-restraints excluded: chain R residue 162 ASP Chi-restraints excluded: chain R residue 179 ASN Chi-restraints excluded: chain R residue 233 ASP Chi-restraints excluded: chain R residue 240 THR Chi-restraints excluded: chain R residue 253 LEU Chi-restraints excluded: chain S residue 1 MET Chi-restraints excluded: chain S residue 106 GLU Chi-restraints excluded: chain S residue 126 SER Chi-restraints excluded: chain S residue 160 SER Chi-restraints excluded: chain S residue 162 ASP Chi-restraints excluded: chain S residue 179 ASN Chi-restraints excluded: chain T residue 13 GLU Chi-restraints excluded: chain T residue 106 GLU Chi-restraints excluded: chain T residue 126 SER Chi-restraints excluded: chain T residue 160 SER Chi-restraints excluded: chain T residue 162 ASP Chi-restraints excluded: chain T residue 175 ASP Chi-restraints excluded: chain T residue 179 ASN Chi-restraints excluded: chain T residue 182 LYS Chi-restraints excluded: chain T residue 233 ASP Chi-restraints excluded: chain T residue 253 LEU Chi-restraints excluded: chain T residue 257 LYS Chi-restraints excluded: chain U residue 106 GLU Chi-restraints excluded: chain U residue 126 SER Chi-restraints excluded: chain U residue 160 SER Chi-restraints excluded: chain U residue 162 ASP Chi-restraints excluded: chain U residue 179 ASN Chi-restraints excluded: chain U residue 233 ASP Chi-restraints excluded: chain U residue 240 THR Chi-restraints excluded: chain U residue 253 LEU Chi-restraints excluded: chain V residue 1 MET Chi-restraints excluded: chain V residue 126 SER Chi-restraints excluded: chain V residue 160 SER Chi-restraints excluded: chain V residue 162 ASP Chi-restraints excluded: chain V residue 179 ASN Chi-restraints excluded: chain W residue 13 GLU Chi-restraints excluded: chain W residue 106 GLU Chi-restraints excluded: chain W residue 126 SER Chi-restraints excluded: chain W residue 160 SER Chi-restraints excluded: chain W residue 162 ASP Chi-restraints excluded: chain W residue 175 ASP Chi-restraints excluded: chain W residue 179 ASN Chi-restraints excluded: chain W residue 182 LYS Chi-restraints excluded: chain W residue 233 ASP Chi-restraints excluded: chain W residue 253 LEU Chi-restraints excluded: chain W residue 257 LYS Chi-restraints excluded: chain X residue 1 MET Chi-restraints excluded: chain X residue 126 SER Chi-restraints excluded: chain X residue 162 ASP Chi-restraints excluded: chain X residue 182 LYS Chi-restraints excluded: chain X residue 253 LEU Chi-restraints excluded: chain X residue 257 LYS Chi-restraints excluded: chain Y residue 126 SER Chi-restraints excluded: chain Y residue 160 SER Chi-restraints excluded: chain Y residue 162 ASP Chi-restraints excluded: chain Y residue 233 ASP Chi-restraints excluded: chain Y residue 240 THR Chi-restraints excluded: chain Y residue 253 LEU Chi-restraints excluded: chain Y residue 257 LYS Chi-restraints excluded: chain Z residue 1 MET Chi-restraints excluded: chain Z residue 126 SER Chi-restraints excluded: chain Z residue 160 SER Chi-restraints excluded: chain Z residue 162 ASP Chi-restraints excluded: chain Z residue 179 ASN Chi-restraints excluded: chain 0 residue 13 GLU Chi-restraints excluded: chain 0 residue 106 GLU Chi-restraints excluded: chain 0 residue 126 SER Chi-restraints excluded: chain 0 residue 160 SER Chi-restraints excluded: chain 0 residue 162 ASP Chi-restraints excluded: chain 0 residue 175 ASP Chi-restraints excluded: chain 0 residue 179 ASN Chi-restraints excluded: chain 0 residue 182 LYS Chi-restraints excluded: chain 0 residue 233 ASP Chi-restraints excluded: chain 0 residue 253 LEU Chi-restraints excluded: chain 0 residue 257 LYS Chi-restraints excluded: chain 1 residue 126 SER Chi-restraints excluded: chain 1 residue 162 ASP Chi-restraints excluded: chain 1 residue 182 LYS Chi-restraints excluded: chain 1 residue 253 LEU Chi-restraints excluded: chain 1 residue 257 LYS Chi-restraints excluded: chain 2 residue 126 SER Chi-restraints excluded: chain 2 residue 160 SER Chi-restraints excluded: chain 2 residue 162 ASP Chi-restraints excluded: chain 2 residue 233 ASP Chi-restraints excluded: chain 2 residue 240 THR Chi-restraints excluded: chain 2 residue 253 LEU Chi-restraints excluded: chain 2 residue 257 LYS Chi-restraints excluded: chain 3 residue 106 GLU Chi-restraints excluded: chain 3 residue 126 SER Chi-restraints excluded: chain 3 residue 160 SER Chi-restraints excluded: chain 3 residue 162 ASP Chi-restraints excluded: chain 3 residue 179 ASN Chi-restraints excluded: chain 3 residue 233 ASP Chi-restraints excluded: chain 3 residue 240 THR Chi-restraints excluded: chain 3 residue 253 LEU Chi-restraints excluded: chain 4 residue 126 SER Chi-restraints excluded: chain 4 residue 162 ASP Chi-restraints excluded: chain 4 residue 182 LYS Chi-restraints excluded: chain 4 residue 253 LEU Chi-restraints excluded: chain 4 residue 257 LYS Chi-restraints excluded: chain 5 residue 126 SER Chi-restraints excluded: chain 5 residue 160 SER Chi-restraints excluded: chain 5 residue 162 ASP Chi-restraints excluded: chain 5 residue 233 ASP Chi-restraints excluded: chain 5 residue 240 THR Chi-restraints excluded: chain 5 residue 253 LEU Chi-restraints excluded: chain 5 residue 257 LYS Chi-restraints excluded: chain 6 residue 106 GLU Chi-restraints excluded: chain 6 residue 126 SER Chi-restraints excluded: chain 6 residue 160 SER Chi-restraints excluded: chain 6 residue 162 ASP Chi-restraints excluded: chain 6 residue 179 ASN Chi-restraints excluded: chain 6 residue 233 ASP Chi-restraints excluded: chain 6 residue 240 THR Chi-restraints excluded: chain 6 residue 253 LEU Chi-restraints excluded: chain 7 residue 1 MET Chi-restraints excluded: chain 7 residue 106 GLU Chi-restraints excluded: chain 7 residue 126 SER Chi-restraints excluded: chain 7 residue 160 SER Chi-restraints excluded: chain 7 residue 162 ASP Chi-restraints excluded: chain 7 residue 179 ASN Chi-restraints excluded: chain 8 residue 13 GLU Chi-restraints excluded: chain 8 residue 106 GLU Chi-restraints excluded: chain 8 residue 126 SER Chi-restraints excluded: chain 8 residue 160 SER Chi-restraints excluded: chain 8 residue 162 ASP Chi-restraints excluded: chain 8 residue 175 ASP Chi-restraints excluded: chain 8 residue 179 ASN Chi-restraints excluded: chain 8 residue 182 LYS Chi-restraints excluded: chain 8 residue 233 ASP Chi-restraints excluded: chain 8 residue 253 LEU Chi-restraints excluded: chain 8 residue 257 LYS Chi-restraints excluded: chain 9 residue 126 SER Chi-restraints excluded: chain 9 residue 160 SER Chi-restraints excluded: chain 9 residue 162 ASP Chi-restraints excluded: chain 9 residue 233 ASP Chi-restraints excluded: chain 9 residue 240 THR Chi-restraints excluded: chain 9 residue 253 LEU Chi-restraints excluded: chain 9 residue 257 LYS Chi-restraints excluded: chain a residue 106 GLU Chi-restraints excluded: chain a residue 126 SER Chi-restraints excluded: chain a residue 160 SER Chi-restraints excluded: chain a residue 162 ASP Chi-restraints excluded: chain a residue 179 ASN Chi-restraints excluded: chain a residue 233 ASP Chi-restraints excluded: chain a residue 240 THR Chi-restraints excluded: chain a residue 253 LEU Chi-restraints excluded: chain b residue 1 MET Chi-restraints excluded: chain b residue 106 GLU Chi-restraints excluded: chain b residue 126 SER Chi-restraints excluded: chain b residue 160 SER Chi-restraints excluded: chain b residue 162 ASP Chi-restraints excluded: chain b residue 179 ASN Chi-restraints excluded: chain c residue 106 GLU Chi-restraints excluded: chain c residue 126 SER Chi-restraints excluded: chain c residue 160 SER Chi-restraints excluded: chain c residue 162 ASP Chi-restraints excluded: chain c residue 175 ASP Chi-restraints excluded: chain c residue 179 ASN Chi-restraints excluded: chain c residue 182 LYS Chi-restraints excluded: chain c residue 233 ASP Chi-restraints excluded: chain c residue 253 LEU Chi-restraints excluded: chain c residue 257 LYS Chi-restraints excluded: chain d residue 126 SER Chi-restraints excluded: chain d residue 162 ASP Chi-restraints excluded: chain d residue 182 LYS Chi-restraints excluded: chain d residue 253 LEU Chi-restraints excluded: chain d residue 257 LYS Chi-restraints excluded: chain e residue 1 MET Chi-restraints excluded: chain e residue 126 SER Chi-restraints excluded: chain e residue 162 ASP Chi-restraints excluded: chain e residue 182 LYS Chi-restraints excluded: chain e residue 253 LEU Chi-restraints excluded: chain e residue 257 LYS Chi-restraints excluded: chain f residue 126 SER Chi-restraints excluded: chain f residue 160 SER Chi-restraints excluded: chain f residue 162 ASP Chi-restraints excluded: chain f residue 233 ASP Chi-restraints excluded: chain f residue 240 THR Chi-restraints excluded: chain f residue 253 LEU Chi-restraints excluded: chain f residue 257 LYS Chi-restraints excluded: chain g residue 106 GLU Chi-restraints excluded: chain g residue 126 SER Chi-restraints excluded: chain g residue 160 SER Chi-restraints excluded: chain g residue 162 ASP Chi-restraints excluded: chain g residue 179 ASN Chi-restraints excluded: chain g residue 233 ASP Chi-restraints excluded: chain g residue 240 THR Chi-restraints excluded: chain g residue 253 LEU Chi-restraints excluded: chain h residue 1 MET Chi-restraints excluded: chain h residue 106 GLU Chi-restraints excluded: chain h residue 126 SER Chi-restraints excluded: chain h residue 160 SER Chi-restraints excluded: chain h residue 162 ASP Chi-restraints excluded: chain h residue 179 ASN Chi-restraints excluded: chain i residue 106 GLU Chi-restraints excluded: chain i residue 126 SER Chi-restraints excluded: chain i residue 160 SER Chi-restraints excluded: chain i residue 162 ASP Chi-restraints excluded: chain i residue 175 ASP Chi-restraints excluded: chain i residue 179 ASN Chi-restraints excluded: chain i residue 182 LYS Chi-restraints excluded: chain i residue 233 ASP Chi-restraints excluded: chain i residue 253 LEU Chi-restraints excluded: chain i residue 257 LYS Chi-restraints excluded: chain j residue 126 SER Chi-restraints excluded: chain j residue 160 SER Chi-restraints excluded: chain j residue 162 ASP Chi-restraints excluded: chain j residue 233 ASP Chi-restraints excluded: chain j residue 240 THR Chi-restraints excluded: chain j residue 253 LEU Chi-restraints excluded: chain j residue 257 LYS Chi-restraints excluded: chain k residue 106 GLU Chi-restraints excluded: chain k residue 126 SER Chi-restraints excluded: chain k residue 160 SER Chi-restraints excluded: chain k residue 162 ASP Chi-restraints excluded: chain k residue 179 ASN Chi-restraints excluded: chain k residue 233 ASP Chi-restraints excluded: chain k residue 240 THR Chi-restraints excluded: chain k residue 253 LEU Chi-restraints excluded: chain l residue 1 MET Chi-restraints excluded: chain l residue 126 SER Chi-restraints excluded: chain l residue 160 SER Chi-restraints excluded: chain l residue 162 ASP Chi-restraints excluded: chain l residue 179 ASN Chi-restraints excluded: chain m residue 106 GLU Chi-restraints excluded: chain m residue 126 SER Chi-restraints excluded: chain m residue 160 SER Chi-restraints excluded: chain m residue 162 ASP Chi-restraints excluded: chain m residue 175 ASP Chi-restraints excluded: chain m residue 179 ASN Chi-restraints excluded: chain m residue 182 LYS Chi-restraints excluded: chain m residue 233 ASP Chi-restraints excluded: chain m residue 253 LEU Chi-restraints excluded: chain m residue 257 LYS Chi-restraints excluded: chain n residue 126 SER Chi-restraints excluded: chain n residue 162 ASP Chi-restraints excluded: chain n residue 182 LYS Chi-restraints excluded: chain n residue 253 LEU Chi-restraints excluded: chain n residue 257 LYS Chi-restraints excluded: chain o residue 106 GLU Chi-restraints excluded: chain o residue 126 SER Chi-restraints excluded: chain o residue 160 SER Chi-restraints excluded: chain o residue 162 ASP Chi-restraints excluded: chain o residue 179 ASN Chi-restraints excluded: chain o residue 233 ASP Chi-restraints excluded: chain o residue 240 THR Chi-restraints excluded: chain o residue 253 LEU Chi-restraints excluded: chain p residue 1 MET Chi-restraints excluded: chain p residue 106 GLU Chi-restraints excluded: chain p residue 126 SER Chi-restraints excluded: chain p residue 160 SER Chi-restraints excluded: chain p residue 162 ASP Chi-restraints excluded: chain p residue 179 ASN Chi-restraints excluded: chain q residue 13 GLU Chi-restraints excluded: chain q residue 106 GLU Chi-restraints excluded: chain q residue 126 SER Chi-restraints excluded: chain q residue 160 SER Chi-restraints excluded: chain q residue 162 ASP Chi-restraints excluded: chain q residue 175 ASP Chi-restraints excluded: chain q residue 179 ASN Chi-restraints excluded: chain q residue 182 LYS Chi-restraints excluded: chain q residue 233 ASP Chi-restraints excluded: chain q residue 253 LEU Chi-restraints excluded: chain q residue 257 LYS Chi-restraints excluded: chain r residue 126 SER Chi-restraints excluded: chain r residue 162 ASP Chi-restraints excluded: chain r residue 182 LYS Chi-restraints excluded: chain r residue 253 LEU Chi-restraints excluded: chain r residue 257 LYS Chi-restraints excluded: chain s residue 126 SER Chi-restraints excluded: chain s residue 160 SER Chi-restraints excluded: chain s residue 162 ASP Chi-restraints excluded: chain s residue 233 ASP Chi-restraints excluded: chain s residue 240 THR Chi-restraints excluded: chain s residue 253 LEU Chi-restraints excluded: chain s residue 257 LYS Chi-restraints excluded: chain t residue 1 MET Chi-restraints excluded: chain t residue 106 GLU Chi-restraints excluded: chain t residue 126 SER Chi-restraints excluded: chain t residue 160 SER Chi-restraints excluded: chain t residue 162 ASP Chi-restraints excluded: chain t residue 179 ASN Chi-restraints excluded: chain u residue 13 GLU Chi-restraints excluded: chain u residue 106 GLU Chi-restraints excluded: chain u residue 126 SER Chi-restraints excluded: chain u residue 160 SER Chi-restraints excluded: chain u residue 162 ASP Chi-restraints excluded: chain u residue 175 ASP Chi-restraints excluded: chain u residue 179 ASN Chi-restraints excluded: chain u residue 182 LYS Chi-restraints excluded: chain u residue 233 ASP Chi-restraints excluded: chain u residue 253 LEU Chi-restraints excluded: chain u residue 257 LYS Chi-restraints excluded: chain v residue 126 SER Chi-restraints excluded: chain v residue 162 ASP Chi-restraints excluded: chain v residue 182 LYS Chi-restraints excluded: chain v residue 253 LEU Chi-restraints excluded: chain v residue 257 LYS Chi-restraints excluded: chain w residue 126 SER Chi-restraints excluded: chain w residue 160 SER Chi-restraints excluded: chain w residue 162 ASP Chi-restraints excluded: chain w residue 233 ASP Chi-restraints excluded: chain w residue 240 THR Chi-restraints excluded: chain w residue 253 LEU Chi-restraints excluded: chain w residue 257 LYS Chi-restraints excluded: chain x residue 106 GLU Chi-restraints excluded: chain x residue 126 SER Chi-restraints excluded: chain x residue 160 SER Chi-restraints excluded: chain x residue 162 ASP Chi-restraints excluded: chain x residue 179 ASN Chi-restraints excluded: chain x residue 233 ASP Chi-restraints excluded: chain x residue 240 THR Chi-restraints excluded: chain x residue 253 LEU 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: 5.9990 chunk 708 optimal weight: 8.9990 chunk 151 optimal weight: 7.9990 chunk 651 optimal weight: 6.9990 chunk 916 optimal weight: 9.9990 chunk 1369 optimal weight: 7.9990 chunk 1449 optimal weight: 0.8980 chunk 715 optimal weight: 10.0000 chunk 1297 optimal weight: 5.9990 chunk 390 optimal weight: 10.0000 overall best weight: 4.9788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: D 21 ASN J 21 ASN K 21 ASN K 173 ASN Q 21 ASN W 21 ASN Y 21 ASN 2 21 ASN 5 21 ASN 9 21 ASN f 21 ASN j 21 ASN m 21 ASN q 17 GLN q 21 ASN s 21 ASN u 21 ASN w 21 ASN w 173 ASN Total number of N/Q/H flips: 19 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8220 moved from start: 0.1179 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.033 129900 Z= 0.335 Angle : 0.856 7.302 175440 Z= 0.458 Chirality : 0.051 0.171 19380 Planarity : 0.006 0.048 22320 Dihedral : 8.649 59.661 18156 Min Nonbonded Distance : 2.205 Molprobity Statistics. All-atom Clashscore : 3.70 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.38 % Favored : 94.62 % Rotamer: Outliers : 4.88 % Allowed : 13.94 % Favored : 81.17 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.58 (0.06), residues: 15360 helix: -1.17 (0.08), residues: 4020 sheet: -0.32 (0.14), residues: 1380 loop : -2.29 (0.05), residues: 9960 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.007 0.002 TRP D 45 HIS 0.005 0.003 HIS U 50 PHE 0.014 0.002 PHE v 114 TYR 0.011 0.002 TYR A 47 ARG 0.003 0.001 ARG j 79 *********************** 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 1551 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 671 poor density : 880 time to evaluate : 11.193 Fit side-chains REVERT: A 106 GLU cc_start: 0.6933 (OUTLIER) cc_final: 0.6303 (mm-30) REVERT: A 162 ASP cc_start: 0.7920 (OUTLIER) cc_final: 0.7671 (m-30) REVERT: B 13 GLU cc_start: 0.7206 (OUTLIER) cc_final: 0.6987 (mt-10) REVERT: B 179 ASN cc_start: 0.8163 (OUTLIER) cc_final: 0.7904 (m110) REVERT: B 188 GLU cc_start: 0.7416 (OUTLIER) cc_final: 0.7014 (mt-10) REVERT: B 257 LYS cc_start: 0.8164 (OUTLIER) cc_final: 0.7920 (tptp) REVERT: C 4 LEU cc_start: 0.7194 (OUTLIER) cc_final: 0.6844 (mt) REVERT: C 24 ARG cc_start: 0.8097 (ttm110) cc_final: 0.7829 (ttp-110) REVERT: C 253 LEU cc_start: 0.8413 (OUTLIER) cc_final: 0.7998 (tp) REVERT: C 257 LYS cc_start: 0.8038 (OUTLIER) cc_final: 0.7730 (tptp) REVERT: D 62 ASN cc_start: 0.8101 (OUTLIER) cc_final: 0.7754 (p0) REVERT: D 175 ASP cc_start: 0.7944 (m-30) cc_final: 0.7718 (m-30) REVERT: D 257 LYS cc_start: 0.7945 (OUTLIER) cc_final: 0.7664 (tptp) REVERT: E 106 GLU cc_start: 0.6923 (OUTLIER) cc_final: 0.6686 (mm-30) REVERT: E 175 ASP cc_start: 0.7967 (m-30) cc_final: 0.7703 (m-30) REVERT: E 179 ASN cc_start: 0.8122 (OUTLIER) cc_final: 0.7863 (m-40) REVERT: E 232 LYS cc_start: 0.6725 (OUTLIER) cc_final: 0.6349 (tttm) REVERT: F 106 GLU cc_start: 0.6920 (OUTLIER) cc_final: 0.6682 (mm-30) REVERT: F 175 ASP cc_start: 0.7964 (m-30) cc_final: 0.7703 (m-30) REVERT: F 179 ASN cc_start: 0.8110 (OUTLIER) cc_final: 0.7854 (m-40) REVERT: F 232 LYS cc_start: 0.6730 (OUTLIER) cc_final: 0.6354 (tttm) REVERT: G 106 GLU cc_start: 0.6934 (OUTLIER) cc_final: 0.6301 (mm-30) REVERT: G 162 ASP cc_start: 0.7918 (OUTLIER) cc_final: 0.7672 (m-30) REVERT: H 13 GLU cc_start: 0.7215 (OUTLIER) cc_final: 0.6979 (mt-10) REVERT: H 179 ASN cc_start: 0.8182 (OUTLIER) cc_final: 0.7926 (m110) REVERT: H 188 GLU cc_start: 0.7415 (OUTLIER) cc_final: 0.7036 (mt-10) REVERT: H 257 LYS cc_start: 0.8164 (OUTLIER) cc_final: 0.7920 (tptp) REVERT: I 24 ARG cc_start: 0.8096 (ttm110) cc_final: 0.7824 (ttp-110) REVERT: I 253 LEU cc_start: 0.8410 (OUTLIER) cc_final: 0.7993 (tp) REVERT: I 257 LYS cc_start: 0.8040 (OUTLIER) cc_final: 0.7730 (tptp) REVERT: J 62 ASN cc_start: 0.8118 (OUTLIER) cc_final: 0.7799 (p0) REVERT: J 175 ASP cc_start: 0.7944 (m-30) cc_final: 0.7719 (m-30) REVERT: J 257 LYS cc_start: 0.7942 (OUTLIER) cc_final: 0.7661 (tptp) REVERT: K 62 ASN cc_start: 0.8101 (OUTLIER) cc_final: 0.7755 (p0) REVERT: K 124 GLU cc_start: 0.7123 (tm-30) cc_final: 0.6832 (tm-30) REVERT: K 175 ASP cc_start: 0.7936 (m-30) cc_final: 0.7709 (m-30) REVERT: K 257 LYS cc_start: 0.7945 (OUTLIER) cc_final: 0.7662 (tptp) REVERT: L 106 GLU cc_start: 0.6917 (OUTLIER) cc_final: 0.6679 (mm-30) REVERT: L 179 ASN cc_start: 0.8102 (OUTLIER) cc_final: 0.7846 (m-40) REVERT: L 232 LYS cc_start: 0.6723 (OUTLIER) cc_final: 0.6349 (tttm) REVERT: M 106 GLU cc_start: 0.6937 (OUTLIER) cc_final: 0.6309 (mm-30) REVERT: M 162 ASP cc_start: 0.7917 (OUTLIER) cc_final: 0.7667 (m-30) REVERT: N 13 GLU cc_start: 0.7217 (OUTLIER) cc_final: 0.6977 (mt-10) REVERT: N 179 ASN cc_start: 0.8166 (OUTLIER) cc_final: 0.7907 (m110) REVERT: N 188 GLU cc_start: 0.7452 (OUTLIER) cc_final: 0.7011 (mt-10) REVERT: N 257 LYS cc_start: 0.8164 (OUTLIER) cc_final: 0.7919 (tptp) REVERT: O 24 ARG cc_start: 0.8095 (ttm110) cc_final: 0.7830 (ttp-110) REVERT: O 253 LEU cc_start: 0.8415 (OUTLIER) cc_final: 0.8001 (tp) REVERT: O 257 LYS cc_start: 0.8042 (OUTLIER) cc_final: 0.7730 (tptp) REVERT: P 4 LEU cc_start: 0.7200 (OUTLIER) cc_final: 0.6847 (mt) REVERT: P 24 ARG cc_start: 0.8097 (ttm110) cc_final: 0.7829 (ttp-110) REVERT: P 253 LEU cc_start: 0.8414 (OUTLIER) cc_final: 0.7998 (tp) REVERT: P 257 LYS cc_start: 0.8043 (OUTLIER) cc_final: 0.7733 (tptp) REVERT: Q 62 ASN cc_start: 0.8097 (OUTLIER) cc_final: 0.7752 (p0) REVERT: Q 124 GLU cc_start: 0.7126 (tm-30) cc_final: 0.6835 (tm-30) REVERT: Q 175 ASP cc_start: 0.7946 (m-30) cc_final: 0.7719 (m-30) REVERT: Q 257 LYS cc_start: 0.7946 (OUTLIER) cc_final: 0.7664 (tptp) REVERT: R 106 GLU cc_start: 0.6920 (OUTLIER) cc_final: 0.6684 (mm-30) REVERT: R 179 ASN cc_start: 0.8104 (OUTLIER) cc_final: 0.7844 (m-40) REVERT: R 232 LYS cc_start: 0.6724 (OUTLIER) cc_final: 0.6349 (tttm) REVERT: S 106 GLU cc_start: 0.6936 (OUTLIER) cc_final: 0.6309 (mm-30) REVERT: S 162 ASP cc_start: 0.7918 (OUTLIER) cc_final: 0.7667 (m-30) REVERT: T 13 GLU cc_start: 0.7209 (OUTLIER) cc_final: 0.6988 (mt-10) REVERT: T 179 ASN cc_start: 0.8167 (OUTLIER) cc_final: 0.7908 (m110) REVERT: T 188 GLU cc_start: 0.7453 (OUTLIER) cc_final: 0.6997 (mt-10) REVERT: T 257 LYS cc_start: 0.8162 (OUTLIER) cc_final: 0.7918 (tptp) REVERT: U 106 GLU cc_start: 0.6921 (OUTLIER) cc_final: 0.6682 (mm-30) REVERT: U 179 ASN cc_start: 0.8102 (OUTLIER) cc_final: 0.7844 (m-40) REVERT: U 232 LYS cc_start: 0.6725 (OUTLIER) cc_final: 0.6351 (tttm) REVERT: V 106 GLU cc_start: 0.6939 (OUTLIER) cc_final: 0.6307 (mm-30) REVERT: V 162 ASP cc_start: 0.7918 (OUTLIER) cc_final: 0.7667 (m-30) REVERT: W 13 GLU cc_start: 0.7208 (OUTLIER) cc_final: 0.6965 (mt-10) REVERT: W 179 ASN cc_start: 0.8189 (OUTLIER) cc_final: 0.7931 (m110) REVERT: W 188 GLU cc_start: 0.7413 (OUTLIER) cc_final: 0.7028 (mt-10) REVERT: W 257 LYS cc_start: 0.8164 (OUTLIER) cc_final: 0.7919 (tptp) REVERT: X 24 ARG cc_start: 0.8095 (ttm110) cc_final: 0.7827 (ttp-110) REVERT: X 253 LEU cc_start: 0.8411 (OUTLIER) cc_final: 0.7996 (tp) REVERT: X 257 LYS cc_start: 0.8038 (OUTLIER) cc_final: 0.7732 (tptp) REVERT: Y 62 ASN cc_start: 0.8097 (OUTLIER) cc_final: 0.7751 (p0) REVERT: Y 124 GLU cc_start: 0.7124 (tm-30) cc_final: 0.6832 (tm-30) REVERT: Y 175 ASP cc_start: 0.7945 (m-30) cc_final: 0.7720 (m-30) REVERT: Y 257 LYS cc_start: 0.7950 (OUTLIER) cc_final: 0.7664 (tptp) REVERT: Z 106 GLU cc_start: 0.6944 (OUTLIER) cc_final: 0.6317 (mm-30) REVERT: Z 162 ASP cc_start: 0.7917 (OUTLIER) cc_final: 0.7666 (m-30) REVERT: 0 13 GLU cc_start: 0.7209 (OUTLIER) cc_final: 0.6968 (mt-10) REVERT: 0 179 ASN cc_start: 0.8165 (OUTLIER) cc_final: 0.7907 (m110) REVERT: 0 188 GLU cc_start: 0.7413 (OUTLIER) cc_final: 0.7033 (mt-10) REVERT: 0 257 LYS cc_start: 0.8165 (OUTLIER) cc_final: 0.7920 (tptp) REVERT: 1 24 ARG cc_start: 0.8096 (ttm110) cc_final: 0.7830 (ttp-110) REVERT: 1 253 LEU cc_start: 0.8414 (OUTLIER) cc_final: 0.7999 (tp) REVERT: 1 257 LYS cc_start: 0.8041 (OUTLIER) cc_final: 0.7731 (tptp) REVERT: 2 62 ASN cc_start: 0.8102 (OUTLIER) cc_final: 0.7755 (p0) REVERT: 2 124 GLU cc_start: 0.7099 (tm-30) cc_final: 0.6808 (tm-30) REVERT: 2 175 ASP cc_start: 0.7946 (m-30) cc_final: 0.7718 (m-30) REVERT: 2 257 LYS cc_start: 0.7945 (OUTLIER) cc_final: 0.7660 (tptp) REVERT: 3 106 GLU cc_start: 0.6915 (OUTLIER) cc_final: 0.6679 (mm-30) REVERT: 3 179 ASN cc_start: 0.8111 (OUTLIER) cc_final: 0.7854 (m-40) REVERT: 3 232 LYS cc_start: 0.6725 (OUTLIER) cc_final: 0.6349 (tttm) REVERT: 4 24 ARG cc_start: 0.8092 (ttm110) cc_final: 0.7825 (ttp-110) REVERT: 4 253 LEU cc_start: 0.8411 (OUTLIER) cc_final: 0.7996 (tp) REVERT: 4 257 LYS cc_start: 0.8036 (OUTLIER) cc_final: 0.7729 (tptp) REVERT: 5 62 ASN cc_start: 0.8103 (OUTLIER) cc_final: 0.7756 (p0) REVERT: 5 124 GLU cc_start: 0.7093 (tm-30) cc_final: 0.6802 (tm-30) REVERT: 5 175 ASP cc_start: 0.7945 (m-30) cc_final: 0.7720 (m-30) REVERT: 5 257 LYS cc_start: 0.7944 (OUTLIER) cc_final: 0.7663 (tptp) REVERT: 6 106 GLU cc_start: 0.6919 (OUTLIER) cc_final: 0.6686 (mm-30) REVERT: 6 179 ASN cc_start: 0.8108 (OUTLIER) cc_final: 0.7847 (m-40) REVERT: 6 232 LYS cc_start: 0.6724 (OUTLIER) cc_final: 0.6349 (tttm) REVERT: 7 106 GLU cc_start: 0.6934 (OUTLIER) cc_final: 0.6303 (mm-30) REVERT: 7 162 ASP cc_start: 0.7918 (OUTLIER) cc_final: 0.7670 (m-30) REVERT: 8 13 GLU cc_start: 0.7209 (OUTLIER) cc_final: 0.6991 (mt-10) REVERT: 8 179 ASN cc_start: 0.8161 (OUTLIER) cc_final: 0.7903 (m110) REVERT: 8 188 GLU cc_start: 0.7417 (OUTLIER) cc_final: 0.7014 (mt-10) REVERT: 8 257 LYS cc_start: 0.8163 (OUTLIER) cc_final: 0.7920 (tptp) REVERT: 9 62 ASN cc_start: 0.8098 (OUTLIER) cc_final: 0.7754 (p0) REVERT: 9 124 GLU cc_start: 0.7098 (tm-30) cc_final: 0.6810 (tm-30) REVERT: 9 175 ASP cc_start: 0.7952 (m-30) cc_final: 0.7725 (m-30) REVERT: 9 257 LYS cc_start: 0.7946 (OUTLIER) cc_final: 0.7665 (tptp) REVERT: a 106 GLU cc_start: 0.6922 (OUTLIER) cc_final: 0.6685 (mm-30) REVERT: a 179 ASN cc_start: 0.8108 (OUTLIER) cc_final: 0.7851 (m-40) REVERT: a 232 LYS cc_start: 0.6724 (OUTLIER) cc_final: 0.6348 (tttm) REVERT: b 106 GLU cc_start: 0.6934 (OUTLIER) cc_final: 0.6305 (mm-30) REVERT: b 162 ASP cc_start: 0.7919 (OUTLIER) cc_final: 0.7668 (m-30) REVERT: c 13 GLU cc_start: 0.7222 (OUTLIER) cc_final: 0.6986 (mt-10) REVERT: c 179 ASN cc_start: 0.8184 (OUTLIER) cc_final: 0.7928 (m110) REVERT: c 188 GLU cc_start: 0.7411 (OUTLIER) cc_final: 0.7030 (mt-10) REVERT: c 257 LYS cc_start: 0.8163 (OUTLIER) cc_final: 0.7918 (tptp) REVERT: d 4 LEU cc_start: 0.7195 (OUTLIER) cc_final: 0.6843 (mt) REVERT: d 24 ARG cc_start: 0.8098 (ttm110) cc_final: 0.7830 (ttp-110) REVERT: d 253 LEU cc_start: 0.8416 (OUTLIER) cc_final: 0.8000 (tp) REVERT: d 257 LYS cc_start: 0.8035 (OUTLIER) cc_final: 0.7729 (tptp) REVERT: e 24 ARG cc_start: 0.8095 (ttm110) cc_final: 0.7830 (ttp-110) REVERT: e 253 LEU cc_start: 0.8415 (OUTLIER) cc_final: 0.8000 (tp) REVERT: e 257 LYS cc_start: 0.8036 (OUTLIER) cc_final: 0.7731 (tptp) REVERT: f 62 ASN cc_start: 0.8101 (OUTLIER) cc_final: 0.7759 (p0) REVERT: f 175 ASP cc_start: 0.7946 (m-30) cc_final: 0.7720 (m-30) REVERT: f 257 LYS cc_start: 0.7942 (OUTLIER) cc_final: 0.7662 (tptp) REVERT: g 106 GLU cc_start: 0.6920 (OUTLIER) cc_final: 0.6684 (mm-30) REVERT: g 179 ASN cc_start: 0.8108 (OUTLIER) cc_final: 0.7850 (m-40) REVERT: g 232 LYS cc_start: 0.6727 (OUTLIER) cc_final: 0.6353 (tttm) REVERT: h 106 GLU cc_start: 0.6936 (OUTLIER) cc_final: 0.6305 (mm-30) REVERT: h 162 ASP cc_start: 0.7920 (OUTLIER) cc_final: 0.7670 (m-30) REVERT: i 13 GLU cc_start: 0.7221 (OUTLIER) cc_final: 0.6984 (mt-10) REVERT: i 179 ASN cc_start: 0.8168 (OUTLIER) cc_final: 0.7908 (m110) REVERT: i 188 GLU cc_start: 0.7414 (OUTLIER) cc_final: 0.6972 (mt-10) REVERT: i 257 LYS cc_start: 0.8163 (OUTLIER) cc_final: 0.7920 (tptp) REVERT: j 62 ASN cc_start: 0.8098 (OUTLIER) cc_final: 0.7752 (p0) REVERT: j 124 GLU cc_start: 0.7125 (tm-30) cc_final: 0.6834 (tm-30) REVERT: j 175 ASP cc_start: 0.7946 (m-30) cc_final: 0.7720 (m-30) REVERT: j 257 LYS cc_start: 0.7946 (OUTLIER) cc_final: 0.7661 (tptp) REVERT: k 106 GLU cc_start: 0.6917 (OUTLIER) cc_final: 0.6680 (mm-30) REVERT: k 179 ASN cc_start: 0.8108 (OUTLIER) cc_final: 0.7851 (m-40) REVERT: k 232 LYS cc_start: 0.6720 (OUTLIER) cc_final: 0.6347 (tttm) REVERT: l 106 GLU cc_start: 0.6936 (OUTLIER) cc_final: 0.6306 (mm-30) REVERT: l 162 ASP cc_start: 0.7917 (OUTLIER) cc_final: 0.7667 (m-30) REVERT: m 13 GLU cc_start: 0.7219 (OUTLIER) cc_final: 0.6981 (mt-10) REVERT: m 179 ASN cc_start: 0.8189 (OUTLIER) cc_final: 0.7932 (m110) REVERT: m 188 GLU cc_start: 0.7433 (OUTLIER) cc_final: 0.7029 (mt-10) REVERT: m 257 LYS cc_start: 0.8162 (OUTLIER) cc_final: 0.7917 (tptp) REVERT: n 4 LEU cc_start: 0.7190 (OUTLIER) cc_final: 0.6838 (mt) REVERT: n 24 ARG cc_start: 0.8094 (ttm110) cc_final: 0.7827 (ttp-110) REVERT: n 253 LEU cc_start: 0.8410 (OUTLIER) cc_final: 0.7995 (tp) REVERT: n 257 LYS cc_start: 0.8037 (OUTLIER) cc_final: 0.7732 (tptp) REVERT: o 106 GLU cc_start: 0.6919 (OUTLIER) cc_final: 0.6683 (mm-30) REVERT: o 179 ASN cc_start: 0.8100 (OUTLIER) cc_final: 0.7842 (m-40) REVERT: o 232 LYS cc_start: 0.6727 (OUTLIER) cc_final: 0.6352 (tttm) REVERT: p 106 GLU cc_start: 0.6936 (OUTLIER) cc_final: 0.6305 (mm-30) REVERT: p 162 ASP cc_start: 0.7920 (OUTLIER) cc_final: 0.7668 (m-30) REVERT: q 13 GLU cc_start: 0.7201 (OUTLIER) cc_final: 0.6969 (mt-10) REVERT: q 179 ASN cc_start: 0.8169 (OUTLIER) cc_final: 0.7911 (m110) REVERT: q 188 GLU cc_start: 0.7419 (OUTLIER) cc_final: 0.7038 (mt-10) REVERT: q 257 LYS cc_start: 0.8166 (OUTLIER) cc_final: 0.7923 (tptp) REVERT: r 24 ARG cc_start: 0.8098 (ttm110) cc_final: 0.7827 (ttp-110) REVERT: r 253 LEU cc_start: 0.8415 (OUTLIER) cc_final: 0.7998 (tp) REVERT: r 257 LYS cc_start: 0.8033 (OUTLIER) cc_final: 0.7729 (tptp) REVERT: s 62 ASN cc_start: 0.8110 (OUTLIER) cc_final: 0.7771 (p0) REVERT: s 175 ASP cc_start: 0.7946 (m-30) cc_final: 0.7720 (m-30) REVERT: s 257 LYS cc_start: 0.7949 (OUTLIER) cc_final: 0.7666 (tptp) REVERT: t 106 GLU cc_start: 0.6937 (OUTLIER) cc_final: 0.6311 (mm-30) REVERT: t 162 ASP cc_start: 0.7920 (OUTLIER) cc_final: 0.7669 (m-30) REVERT: u 13 GLU cc_start: 0.7208 (OUTLIER) cc_final: 0.6966 (mt-10) REVERT: u 179 ASN cc_start: 0.8168 (OUTLIER) cc_final: 0.7908 (m110) REVERT: u 188 GLU cc_start: 0.7417 (OUTLIER) cc_final: 0.7035 (mt-10) REVERT: u 257 LYS cc_start: 0.8162 (OUTLIER) cc_final: 0.7918 (tptp) REVERT: v 4 LEU cc_start: 0.7192 (OUTLIER) cc_final: 0.6840 (mt) REVERT: v 24 ARG cc_start: 0.8095 (ttm110) cc_final: 0.7828 (ttp-110) REVERT: v 253 LEU cc_start: 0.8410 (OUTLIER) cc_final: 0.7996 (tp) REVERT: v 257 LYS cc_start: 0.8037 (OUTLIER) cc_final: 0.7731 (tptp) REVERT: w 62 ASN cc_start: 0.8113 (OUTLIER) cc_final: 0.7791 (p0) REVERT: w 175 ASP cc_start: 0.7938 (m-30) cc_final: 0.7714 (m-30) REVERT: w 257 LYS cc_start: 0.7948 (OUTLIER) cc_final: 0.7664 (tptp) REVERT: x 106 GLU cc_start: 0.6915 (OUTLIER) cc_final: 0.6677 (mm-30) REVERT: x 179 ASN cc_start: 0.8104 (OUTLIER) cc_final: 0.7846 (m-40) REVERT: x 232 LYS cc_start: 0.6726 (OUTLIER) cc_final: 0.6350 (tttm) outliers start: 671 outliers final: 312 residues processed: 1373 average time/residue: 2.0558 time to fit residues: 3860.1823 Evaluate side-chains 1316 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 473 poor density : 843 time to evaluate : 10.920 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 106 GLU Chi-restraints excluded: chain A residue 126 SER Chi-restraints excluded: chain A residue 160 SER Chi-restraints excluded: chain A residue 162 ASP Chi-restraints excluded: chain A residue 179 ASN Chi-restraints excluded: chain B residue 13 GLU Chi-restraints excluded: chain B residue 106 GLU Chi-restraints excluded: chain B residue 126 SER Chi-restraints excluded: chain B residue 160 SER Chi-restraints excluded: chain B residue 162 ASP Chi-restraints excluded: chain B residue 175 ASP Chi-restraints excluded: chain B residue 179 ASN Chi-restraints excluded: chain B residue 182 LYS Chi-restraints excluded: chain B residue 188 GLU Chi-restraints excluded: chain B residue 233 ASP Chi-restraints excluded: chain B residue 253 LEU Chi-restraints excluded: chain B residue 257 LYS Chi-restraints excluded: chain C residue 4 LEU Chi-restraints excluded: chain C residue 126 SER Chi-restraints excluded: chain C residue 162 ASP Chi-restraints excluded: chain C residue 182 LYS Chi-restraints excluded: chain C residue 253 LEU Chi-restraints excluded: chain C residue 257 LYS Chi-restraints excluded: chain D residue 62 ASN Chi-restraints excluded: chain D residue 126 SER Chi-restraints excluded: chain D residue 160 SER Chi-restraints excluded: chain D residue 162 ASP Chi-restraints excluded: chain D residue 233 ASP Chi-restraints excluded: chain D residue 240 THR Chi-restraints excluded: chain D residue 253 LEU Chi-restraints excluded: chain D residue 257 LYS Chi-restraints excluded: chain E residue 72 SER Chi-restraints excluded: chain E residue 106 GLU Chi-restraints excluded: chain E residue 126 SER Chi-restraints excluded: chain E residue 160 SER Chi-restraints excluded: chain E residue 162 ASP Chi-restraints excluded: chain E residue 179 ASN Chi-restraints excluded: chain E residue 232 LYS Chi-restraints excluded: chain E residue 233 ASP Chi-restraints excluded: chain E residue 240 THR Chi-restraints excluded: chain F residue 72 SER Chi-restraints excluded: chain F residue 106 GLU Chi-restraints excluded: chain F residue 126 SER Chi-restraints excluded: chain F residue 160 SER Chi-restraints excluded: chain F residue 162 ASP Chi-restraints excluded: chain F residue 179 ASN Chi-restraints excluded: chain F residue 232 LYS Chi-restraints excluded: chain F residue 233 ASP Chi-restraints excluded: chain F residue 240 THR Chi-restraints excluded: chain G residue 106 GLU Chi-restraints excluded: chain G residue 126 SER Chi-restraints excluded: chain G residue 160 SER Chi-restraints excluded: chain G residue 162 ASP Chi-restraints excluded: chain G residue 179 ASN Chi-restraints excluded: chain H residue 13 GLU Chi-restraints excluded: chain H residue 106 GLU Chi-restraints excluded: chain H residue 126 SER Chi-restraints excluded: chain H residue 160 SER Chi-restraints excluded: chain H residue 162 ASP Chi-restraints excluded: chain H residue 175 ASP Chi-restraints excluded: chain H residue 179 ASN Chi-restraints excluded: chain H residue 182 LYS Chi-restraints excluded: chain H residue 188 GLU Chi-restraints excluded: chain H residue 233 ASP Chi-restraints excluded: chain H residue 253 LEU Chi-restraints excluded: chain H residue 257 LYS Chi-restraints excluded: chain I residue 126 SER Chi-restraints excluded: chain I residue 162 ASP Chi-restraints excluded: chain I residue 182 LYS Chi-restraints excluded: chain I residue 253 LEU Chi-restraints excluded: chain I residue 257 LYS Chi-restraints excluded: chain J residue 62 ASN Chi-restraints excluded: chain J residue 126 SER Chi-restraints excluded: chain J residue 160 SER Chi-restraints excluded: chain J residue 162 ASP Chi-restraints excluded: chain J residue 233 ASP Chi-restraints excluded: chain J residue 240 THR Chi-restraints excluded: chain J residue 253 LEU Chi-restraints excluded: chain J residue 257 LYS Chi-restraints excluded: chain K residue 62 ASN Chi-restraints excluded: chain K residue 126 SER Chi-restraints excluded: chain K residue 160 SER Chi-restraints excluded: chain K residue 162 ASP Chi-restraints excluded: chain K residue 233 ASP Chi-restraints excluded: chain K residue 240 THR Chi-restraints excluded: chain K residue 253 LEU Chi-restraints excluded: chain K residue 257 LYS Chi-restraints excluded: chain L residue 72 SER Chi-restraints excluded: chain L residue 106 GLU Chi-restraints excluded: chain L residue 126 SER Chi-restraints excluded: chain L residue 160 SER Chi-restraints excluded: chain L residue 162 ASP Chi-restraints excluded: chain L residue 179 ASN Chi-restraints excluded: chain L residue 232 LYS Chi-restraints excluded: chain L residue 233 ASP Chi-restraints excluded: chain L residue 240 THR Chi-restraints excluded: chain M residue 106 GLU Chi-restraints excluded: chain M residue 126 SER Chi-restraints excluded: chain M residue 160 SER Chi-restraints excluded: chain M residue 162 ASP Chi-restraints excluded: chain M residue 179 ASN Chi-restraints excluded: chain N residue 13 GLU Chi-restraints excluded: chain N residue 106 GLU Chi-restraints excluded: chain N residue 126 SER Chi-restraints excluded: chain N residue 160 SER Chi-restraints excluded: chain N residue 162 ASP Chi-restraints excluded: chain N residue 175 ASP Chi-restraints excluded: chain N residue 179 ASN Chi-restraints excluded: chain N residue 182 LYS Chi-restraints excluded: chain N residue 188 GLU Chi-restraints excluded: chain N residue 233 ASP Chi-restraints excluded: chain N residue 253 LEU Chi-restraints excluded: chain N residue 257 LYS Chi-restraints excluded: chain O residue 126 SER Chi-restraints excluded: chain O residue 162 ASP Chi-restraints excluded: chain O residue 182 LYS Chi-restraints excluded: chain O residue 253 LEU Chi-restraints excluded: chain O residue 257 LYS Chi-restraints excluded: chain P residue 4 LEU Chi-restraints excluded: chain P residue 126 SER Chi-restraints excluded: chain P residue 162 ASP Chi-restraints excluded: chain P residue 182 LYS Chi-restraints excluded: chain P residue 253 LEU Chi-restraints excluded: chain P residue 257 LYS Chi-restraints excluded: chain Q residue 62 ASN Chi-restraints excluded: chain Q residue 126 SER Chi-restraints excluded: chain Q residue 160 SER Chi-restraints excluded: chain Q residue 162 ASP Chi-restraints excluded: chain Q residue 233 ASP Chi-restraints excluded: chain Q residue 240 THR Chi-restraints excluded: chain Q residue 253 LEU Chi-restraints excluded: chain Q residue 257 LYS Chi-restraints excluded: chain R residue 72 SER Chi-restraints excluded: chain R residue 106 GLU Chi-restraints excluded: chain R residue 126 SER Chi-restraints excluded: chain R residue 160 SER Chi-restraints excluded: chain R residue 162 ASP Chi-restraints excluded: chain R residue 179 ASN Chi-restraints excluded: chain R residue 232 LYS Chi-restraints excluded: chain R residue 233 ASP Chi-restraints excluded: chain R residue 240 THR Chi-restraints excluded: chain S residue 106 GLU Chi-restraints excluded: chain S residue 126 SER Chi-restraints excluded: chain S residue 160 SER Chi-restraints excluded: chain S residue 162 ASP Chi-restraints excluded: chain S residue 179 ASN Chi-restraints excluded: chain T residue 13 GLU Chi-restraints excluded: chain T residue 106 GLU Chi-restraints excluded: chain T residue 126 SER Chi-restraints excluded: chain T residue 160 SER Chi-restraints excluded: chain T residue 162 ASP Chi-restraints excluded: chain T residue 175 ASP Chi-restraints excluded: chain T residue 179 ASN Chi-restraints excluded: chain T residue 182 LYS Chi-restraints excluded: chain T residue 188 GLU Chi-restraints excluded: chain T residue 233 ASP Chi-restraints excluded: chain T residue 253 LEU Chi-restraints excluded: chain T residue 257 LYS Chi-restraints excluded: chain U residue 72 SER Chi-restraints excluded: chain U residue 106 GLU Chi-restraints excluded: chain U residue 126 SER Chi-restraints excluded: chain U residue 160 SER Chi-restraints excluded: chain U residue 162 ASP Chi-restraints excluded: chain U residue 179 ASN Chi-restraints excluded: chain U residue 232 LYS Chi-restraints excluded: chain U residue 233 ASP Chi-restraints excluded: chain U residue 240 THR Chi-restraints excluded: chain V residue 106 GLU Chi-restraints excluded: chain V residue 126 SER Chi-restraints excluded: chain V residue 160 SER Chi-restraints excluded: chain V residue 162 ASP Chi-restraints excluded: chain V residue 179 ASN Chi-restraints excluded: chain W residue 13 GLU Chi-restraints excluded: chain W residue 106 GLU Chi-restraints excluded: chain W residue 126 SER Chi-restraints excluded: chain W residue 160 SER Chi-restraints excluded: chain W residue 162 ASP Chi-restraints excluded: chain W residue 175 ASP Chi-restraints excluded: chain W residue 179 ASN Chi-restraints excluded: chain W residue 182 LYS Chi-restraints excluded: chain W residue 188 GLU Chi-restraints excluded: chain W residue 233 ASP Chi-restraints excluded: chain W residue 253 LEU Chi-restraints excluded: chain W residue 257 LYS Chi-restraints excluded: chain X residue 126 SER Chi-restraints excluded: chain X residue 162 ASP Chi-restraints excluded: chain X residue 182 LYS Chi-restraints excluded: chain X residue 253 LEU Chi-restraints excluded: chain X residue 257 LYS Chi-restraints excluded: chain Y residue 62 ASN Chi-restraints excluded: chain Y residue 126 SER Chi-restraints excluded: chain Y residue 160 SER Chi-restraints excluded: chain Y residue 162 ASP Chi-restraints excluded: chain Y residue 233 ASP Chi-restraints excluded: chain Y residue 240 THR Chi-restraints excluded: chain Y residue 253 LEU Chi-restraints excluded: chain Y residue 257 LYS Chi-restraints excluded: chain Z residue 106 GLU Chi-restraints excluded: chain Z residue 126 SER Chi-restraints excluded: chain Z residue 160 SER Chi-restraints excluded: chain Z residue 162 ASP Chi-restraints excluded: chain Z residue 179 ASN Chi-restraints excluded: chain 0 residue 13 GLU Chi-restraints excluded: chain 0 residue 106 GLU Chi-restraints excluded: chain 0 residue 126 SER Chi-restraints excluded: chain 0 residue 160 SER Chi-restraints excluded: chain 0 residue 162 ASP Chi-restraints excluded: chain 0 residue 175 ASP Chi-restraints excluded: chain 0 residue 179 ASN Chi-restraints excluded: chain 0 residue 182 LYS Chi-restraints excluded: chain 0 residue 188 GLU Chi-restraints excluded: chain 0 residue 233 ASP Chi-restraints excluded: chain 0 residue 253 LEU Chi-restraints excluded: chain 0 residue 257 LYS Chi-restraints excluded: chain 1 residue 126 SER Chi-restraints excluded: chain 1 residue 162 ASP Chi-restraints excluded: chain 1 residue 182 LYS Chi-restraints excluded: chain 1 residue 253 LEU Chi-restraints excluded: chain 1 residue 257 LYS Chi-restraints excluded: chain 2 residue 62 ASN Chi-restraints excluded: chain 2 residue 126 SER Chi-restraints excluded: chain 2 residue 160 SER Chi-restraints excluded: chain 2 residue 162 ASP Chi-restraints excluded: chain 2 residue 233 ASP Chi-restraints excluded: chain 2 residue 240 THR Chi-restraints excluded: chain 2 residue 253 LEU Chi-restraints excluded: chain 2 residue 257 LYS Chi-restraints excluded: chain 3 residue 72 SER Chi-restraints excluded: chain 3 residue 106 GLU Chi-restraints excluded: chain 3 residue 126 SER Chi-restraints excluded: chain 3 residue 160 SER Chi-restraints excluded: chain 3 residue 162 ASP Chi-restraints excluded: chain 3 residue 179 ASN Chi-restraints excluded: chain 3 residue 232 LYS Chi-restraints excluded: chain 3 residue 233 ASP Chi-restraints excluded: chain 3 residue 240 THR Chi-restraints excluded: chain 4 residue 126 SER Chi-restraints excluded: chain 4 residue 162 ASP Chi-restraints excluded: chain 4 residue 182 LYS Chi-restraints excluded: chain 4 residue 253 LEU Chi-restraints excluded: chain 4 residue 257 LYS Chi-restraints excluded: chain 5 residue 62 ASN Chi-restraints excluded: chain 5 residue 126 SER Chi-restraints excluded: chain 5 residue 160 SER Chi-restraints excluded: chain 5 residue 162 ASP Chi-restraints excluded: chain 5 residue 233 ASP Chi-restraints excluded: chain 5 residue 240 THR Chi-restraints excluded: chain 5 residue 253 LEU Chi-restraints excluded: chain 5 residue 257 LYS Chi-restraints excluded: chain 6 residue 72 SER Chi-restraints excluded: chain 6 residue 106 GLU Chi-restraints excluded: chain 6 residue 126 SER Chi-restraints excluded: chain 6 residue 160 SER Chi-restraints excluded: chain 6 residue 162 ASP Chi-restraints excluded: chain 6 residue 179 ASN Chi-restraints excluded: chain 6 residue 232 LYS Chi-restraints excluded: chain 6 residue 233 ASP Chi-restraints excluded: chain 6 residue 240 THR Chi-restraints excluded: chain 7 residue 106 GLU Chi-restraints excluded: chain 7 residue 126 SER Chi-restraints excluded: chain 7 residue 160 SER Chi-restraints excluded: chain 7 residue 162 ASP Chi-restraints excluded: chain 7 residue 179 ASN Chi-restraints excluded: chain 8 residue 13 GLU Chi-restraints excluded: chain 8 residue 106 GLU Chi-restraints excluded: chain 8 residue 126 SER Chi-restraints excluded: chain 8 residue 160 SER Chi-restraints excluded: chain 8 residue 162 ASP Chi-restraints excluded: chain 8 residue 175 ASP Chi-restraints excluded: chain 8 residue 179 ASN Chi-restraints excluded: chain 8 residue 182 LYS Chi-restraints excluded: chain 8 residue 188 GLU Chi-restraints excluded: chain 8 residue 233 ASP Chi-restraints excluded: chain 8 residue 253 LEU Chi-restraints excluded: chain 8 residue 257 LYS Chi-restraints excluded: chain 9 residue 62 ASN Chi-restraints excluded: chain 9 residue 126 SER Chi-restraints excluded: chain 9 residue 160 SER Chi-restraints excluded: chain 9 residue 162 ASP Chi-restraints excluded: chain 9 residue 233 ASP Chi-restraints excluded: chain 9 residue 240 THR Chi-restraints excluded: chain 9 residue 253 LEU Chi-restraints excluded: chain 9 residue 257 LYS Chi-restraints excluded: chain a residue 72 SER Chi-restraints excluded: chain a residue 106 GLU Chi-restraints excluded: chain a residue 126 SER Chi-restraints excluded: chain a residue 160 SER Chi-restraints excluded: chain a residue 162 ASP Chi-restraints excluded: chain a residue 179 ASN Chi-restraints excluded: chain a residue 232 LYS Chi-restraints excluded: chain a residue 233 ASP Chi-restraints excluded: chain a residue 240 THR Chi-restraints excluded: chain b residue 106 GLU Chi-restraints excluded: chain b residue 126 SER Chi-restraints excluded: chain b residue 160 SER Chi-restraints excluded: chain b residue 162 ASP Chi-restraints excluded: chain b residue 179 ASN Chi-restraints excluded: chain c residue 13 GLU Chi-restraints excluded: chain c residue 106 GLU Chi-restraints excluded: chain c residue 126 SER Chi-restraints excluded: chain c residue 160 SER Chi-restraints excluded: chain c residue 162 ASP Chi-restraints excluded: chain c residue 175 ASP Chi-restraints excluded: chain c residue 179 ASN Chi-restraints excluded: chain c residue 182 LYS Chi-restraints excluded: chain c residue 188 GLU Chi-restraints excluded: chain c residue 233 ASP Chi-restraints excluded: chain c residue 253 LEU Chi-restraints excluded: chain c residue 257 LYS Chi-restraints excluded: chain d residue 4 LEU Chi-restraints excluded: chain d residue 126 SER Chi-restraints excluded: chain d residue 162 ASP Chi-restraints excluded: chain d residue 182 LYS Chi-restraints excluded: chain d residue 253 LEU Chi-restraints excluded: chain d residue 257 LYS Chi-restraints excluded: chain e residue 126 SER Chi-restraints excluded: chain e residue 162 ASP Chi-restraints excluded: chain e residue 182 LYS Chi-restraints excluded: chain e residue 253 LEU Chi-restraints excluded: chain e residue 257 LYS Chi-restraints excluded: chain f residue 62 ASN Chi-restraints excluded: chain f residue 126 SER Chi-restraints excluded: chain f residue 160 SER Chi-restraints excluded: chain f residue 162 ASP Chi-restraints excluded: chain f residue 233 ASP Chi-restraints excluded: chain f residue 240 THR Chi-restraints excluded: chain f residue 253 LEU Chi-restraints excluded: chain f residue 257 LYS Chi-restraints excluded: chain g residue 72 SER Chi-restraints excluded: chain g residue 106 GLU Chi-restraints excluded: chain g residue 126 SER Chi-restraints excluded: chain g residue 160 SER Chi-restraints excluded: chain g residue 162 ASP Chi-restraints excluded: chain g residue 179 ASN Chi-restraints excluded: chain g residue 232 LYS Chi-restraints excluded: chain g residue 233 ASP Chi-restraints excluded: chain g residue 240 THR Chi-restraints excluded: chain h residue 106 GLU Chi-restraints excluded: chain h residue 126 SER Chi-restraints excluded: chain h residue 160 SER Chi-restraints excluded: chain h residue 162 ASP Chi-restraints excluded: chain h residue 179 ASN Chi-restraints excluded: chain i residue 13 GLU Chi-restraints excluded: chain i residue 106 GLU Chi-restraints excluded: chain i residue 126 SER Chi-restraints excluded: chain i residue 160 SER Chi-restraints excluded: chain i residue 162 ASP Chi-restraints excluded: chain i residue 175 ASP Chi-restraints excluded: chain i residue 179 ASN Chi-restraints excluded: chain i residue 182 LYS Chi-restraints excluded: chain i residue 188 GLU Chi-restraints excluded: chain i residue 233 ASP Chi-restraints excluded: chain i residue 253 LEU Chi-restraints excluded: chain i residue 257 LYS Chi-restraints excluded: chain j residue 62 ASN Chi-restraints excluded: chain j residue 126 SER Chi-restraints excluded: chain j residue 160 SER Chi-restraints excluded: chain j residue 162 ASP Chi-restraints excluded: chain j residue 233 ASP Chi-restraints excluded: chain j residue 240 THR Chi-restraints excluded: chain j residue 253 LEU Chi-restraints excluded: chain j residue 257 LYS Chi-restraints excluded: chain k residue 72 SER Chi-restraints excluded: chain k residue 106 GLU Chi-restraints excluded: chain k residue 126 SER Chi-restraints excluded: chain k residue 160 SER Chi-restraints excluded: chain k residue 162 ASP Chi-restraints excluded: chain k residue 179 ASN Chi-restraints excluded: chain k residue 232 LYS Chi-restraints excluded: chain k residue 233 ASP Chi-restraints excluded: chain k residue 240 THR Chi-restraints excluded: chain l residue 106 GLU Chi-restraints excluded: chain l residue 126 SER Chi-restraints excluded: chain l residue 160 SER Chi-restraints excluded: chain l residue 162 ASP Chi-restraints excluded: chain l residue 179 ASN Chi-restraints excluded: chain m residue 13 GLU Chi-restraints excluded: chain m residue 106 GLU Chi-restraints excluded: chain m residue 126 SER Chi-restraints excluded: chain m residue 160 SER Chi-restraints excluded: chain m residue 162 ASP Chi-restraints excluded: chain m residue 175 ASP Chi-restraints excluded: chain m residue 179 ASN Chi-restraints excluded: chain m residue 182 LYS Chi-restraints excluded: chain m residue 188 GLU Chi-restraints excluded: chain m residue 233 ASP Chi-restraints excluded: chain m residue 253 LEU Chi-restraints excluded: chain m residue 257 LYS Chi-restraints excluded: chain n residue 4 LEU Chi-restraints excluded: chain n residue 126 SER Chi-restraints excluded: chain n residue 162 ASP Chi-restraints excluded: chain n residue 182 LYS Chi-restraints excluded: chain n residue 253 LEU Chi-restraints excluded: chain n residue 257 LYS Chi-restraints excluded: chain o residue 72 SER Chi-restraints excluded: chain o residue 106 GLU Chi-restraints excluded: chain o residue 126 SER Chi-restraints excluded: chain o residue 160 SER Chi-restraints excluded: chain o residue 162 ASP Chi-restraints excluded: chain o residue 179 ASN Chi-restraints excluded: chain o residue 232 LYS Chi-restraints excluded: chain o residue 233 ASP Chi-restraints excluded: chain o residue 240 THR Chi-restraints excluded: chain p residue 106 GLU Chi-restraints excluded: chain p residue 126 SER Chi-restraints excluded: chain p residue 160 SER Chi-restraints excluded: chain p residue 162 ASP Chi-restraints excluded: chain p residue 179 ASN Chi-restraints excluded: chain q residue 13 GLU Chi-restraints excluded: chain q residue 106 GLU Chi-restraints excluded: chain q residue 126 SER Chi-restraints excluded: chain q residue 160 SER Chi-restraints excluded: chain q residue 162 ASP Chi-restraints excluded: chain q residue 175 ASP Chi-restraints excluded: chain q residue 179 ASN Chi-restraints excluded: chain q residue 182 LYS Chi-restraints excluded: chain q residue 188 GLU Chi-restraints excluded: chain q residue 233 ASP Chi-restraints excluded: chain q residue 253 LEU Chi-restraints excluded: chain q residue 257 LYS Chi-restraints excluded: chain r residue 126 SER Chi-restraints excluded: chain r residue 162 ASP Chi-restraints excluded: chain r residue 182 LYS Chi-restraints excluded: chain r residue 253 LEU Chi-restraints excluded: chain r residue 257 LYS Chi-restraints excluded: chain s residue 62 ASN Chi-restraints excluded: chain s residue 126 SER Chi-restraints excluded: chain s residue 160 SER Chi-restraints excluded: chain s residue 162 ASP Chi-restraints excluded: chain s residue 233 ASP Chi-restraints excluded: chain s residue 240 THR Chi-restraints excluded: chain s residue 253 LEU Chi-restraints excluded: chain s residue 257 LYS Chi-restraints excluded: chain t residue 106 GLU Chi-restraints excluded: chain t residue 126 SER Chi-restraints excluded: chain t residue 160 SER Chi-restraints excluded: chain t residue 162 ASP Chi-restraints excluded: chain t residue 179 ASN Chi-restraints excluded: chain u residue 13 GLU Chi-restraints excluded: chain u residue 106 GLU Chi-restraints excluded: chain u residue 126 SER Chi-restraints excluded: chain u residue 160 SER Chi-restraints excluded: chain u residue 162 ASP Chi-restraints excluded: chain u residue 175 ASP Chi-restraints excluded: chain u residue 179 ASN Chi-restraints excluded: chain u residue 182 LYS Chi-restraints excluded: chain u residue 188 GLU Chi-restraints excluded: chain u residue 233 ASP Chi-restraints excluded: chain u residue 253 LEU Chi-restraints excluded: chain u residue 257 LYS Chi-restraints excluded: chain v residue 4 LEU Chi-restraints excluded: chain v residue 126 SER Chi-restraints excluded: chain v residue 162 ASP Chi-restraints excluded: chain v residue 182 LYS Chi-restraints excluded: chain v residue 253 LEU Chi-restraints excluded: chain v residue 257 LYS Chi-restraints excluded: chain w residue 62 ASN Chi-restraints excluded: chain w residue 126 SER Chi-restraints excluded: chain w residue 160 SER Chi-restraints excluded: chain w residue 162 ASP Chi-restraints excluded: chain w residue 233 ASP Chi-restraints excluded: chain w residue 240 THR Chi-restraints excluded: chain w residue 253 LEU Chi-restraints excluded: chain w residue 257 LYS Chi-restraints excluded: chain x residue 72 SER Chi-restraints excluded: chain x residue 106 GLU Chi-restraints excluded: chain x residue 126 SER Chi-restraints excluded: chain x residue 160 SER Chi-restraints excluded: chain x residue 162 ASP Chi-restraints excluded: chain x residue 179 ASN Chi-restraints excluded: chain x residue 232 LYS Chi-restraints excluded: chain x residue 233 ASP Chi-restraints excluded: chain x residue 240 THR Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1500 random chunks: chunk 1207 optimal weight: 9.9990 chunk 823 optimal weight: 10.0000 chunk 21 optimal weight: 3.9990 chunk 1079 optimal weight: 9.9990 chunk 598 optimal weight: 6.9990 chunk 1237 optimal weight: 7.9990 chunk 1002 optimal weight: 9.9990 chunk 1 optimal weight: 4.9990 chunk 740 optimal weight: 6.9990 chunk 1301 optimal weight: 6.9990 chunk 365 optimal weight: 9.9990 overall best weight: 5.9990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: D 21 ASN J 21 ASN K 21 ASN Q 21 ASN W 21 ASN Y 21 ASN 2 21 ASN 2 173 ASN 5 21 ASN 5 173 ASN 9 21 ASN f 21 ASN j 21 ASN m 21 ASN q 17 GLN q 21 ASN s 21 ASN u 21 ASN w 21 ASN Total number of N/Q/H flips: 19 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8240 moved from start: 0.1253 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.006 0.034 129900 Z= 0.384 Angle : 0.925 7.985 175440 Z= 0.493 Chirality : 0.053 0.173 19380 Planarity : 0.006 0.051 22320 Dihedral : 8.561 56.754 18156 Min Nonbonded Distance : 2.233 Molprobity Statistics. All-atom Clashscore : 3.67 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.38 % Favored : 94.62 % Rotamer: Outliers : 4.97 % Allowed : 14.84 % Favored : 80.19 % 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: -2.63 (0.06), residues: 15360 helix: -1.26 (0.08), residues: 4020 sheet: -0.34 (0.14), residues: 1380 loop : -2.30 (0.05), residues: 9960 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.008 0.002 TRP s 45 HIS 0.006 0.003 HIS C 50 PHE 0.013 0.002 PHE r 114 TYR 0.012 0.002 TYR G 227 ARG 0.004 0.001 ARG G 201 *********************** 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 1592 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 683 poor density : 909 time to evaluate : 11.106 Fit side-chains REVERT: A 62 ASN cc_start: 0.8090 (OUTLIER) cc_final: 0.7718 (p0) REVERT: A 106 GLU cc_start: 0.6949 (OUTLIER) cc_final: 0.6317 (mm-30) REVERT: A 162 ASP cc_start: 0.7949 (OUTLIER) cc_final: 0.7640 (m-30) REVERT: B 179 ASN cc_start: 0.8155 (OUTLIER) cc_final: 0.7881 (m110) REVERT: B 257 LYS cc_start: 0.8135 (OUTLIER) cc_final: 0.7882 (tptp) REVERT: C 24 ARG cc_start: 0.8109 (ttm110) cc_final: 0.7798 (ttp-110) REVERT: C 175 ASP cc_start: 0.7826 (m-30) cc_final: 0.7557 (m-30) REVERT: C 257 LYS cc_start: 0.8076 (OUTLIER) cc_final: 0.7774 (tptp) REVERT: D 62 ASN cc_start: 0.8089 (OUTLIER) cc_final: 0.7758 (p0) REVERT: D 124 GLU cc_start: 0.7091 (tm-30) cc_final: 0.6831 (tm-30) REVERT: D 175 ASP cc_start: 0.7996 (m-30) cc_final: 0.7789 (m-30) REVERT: D 232 LYS cc_start: 0.6737 (OUTLIER) cc_final: 0.6446 (tttm) REVERT: D 257 LYS cc_start: 0.8042 (OUTLIER) cc_final: 0.7751 (tptp) REVERT: E 106 GLU cc_start: 0.6955 (OUTLIER) cc_final: 0.6713 (mm-30) REVERT: E 179 ASN cc_start: 0.8116 (OUTLIER) cc_final: 0.7862 (m-40) REVERT: E 232 LYS cc_start: 0.6732 (OUTLIER) cc_final: 0.6354 (tttm) REVERT: F 106 GLU cc_start: 0.6936 (OUTLIER) cc_final: 0.6694 (mm-30) REVERT: F 179 ASN cc_start: 0.8118 (OUTLIER) cc_final: 0.7868 (m-40) REVERT: F 232 LYS cc_start: 0.6740 (OUTLIER) cc_final: 0.6359 (tttm) REVERT: G 62 ASN cc_start: 0.8091 (OUTLIER) cc_final: 0.7721 (p0) REVERT: G 106 GLU cc_start: 0.6945 (OUTLIER) cc_final: 0.6313 (mm-30) REVERT: G 162 ASP cc_start: 0.7948 (OUTLIER) cc_final: 0.7640 (m-30) REVERT: H 179 ASN cc_start: 0.8155 (OUTLIER) cc_final: 0.7880 (m110) REVERT: H 257 LYS cc_start: 0.8134 (OUTLIER) cc_final: 0.7882 (tptp) REVERT: I 4 LEU cc_start: 0.7191 (OUTLIER) cc_final: 0.6836 (mt) REVERT: I 24 ARG cc_start: 0.8108 (ttm110) cc_final: 0.7800 (ttp-110) REVERT: I 175 ASP cc_start: 0.7828 (m-30) cc_final: 0.7564 (m-30) REVERT: I 257 LYS cc_start: 0.8075 (OUTLIER) cc_final: 0.7773 (tptp) REVERT: J 62 ASN cc_start: 0.8122 (OUTLIER) cc_final: 0.7865 (p0) REVERT: J 175 ASP cc_start: 0.7998 (m-30) cc_final: 0.7790 (m-30) REVERT: J 232 LYS cc_start: 0.6734 (OUTLIER) cc_final: 0.6443 (tttm) REVERT: J 257 LYS cc_start: 0.8035 (OUTLIER) cc_final: 0.7748 (tptp) REVERT: K 62 ASN cc_start: 0.8090 (OUTLIER) cc_final: 0.7756 (p0) REVERT: K 124 GLU cc_start: 0.7096 (tm-30) cc_final: 0.6838 (tm-30) REVERT: K 175 ASP cc_start: 0.8005 (m-30) cc_final: 0.7797 (m-30) REVERT: K 232 LYS cc_start: 0.6732 (OUTLIER) cc_final: 0.6443 (tttm) REVERT: K 257 LYS cc_start: 0.8036 (OUTLIER) cc_final: 0.7749 (tptp) REVERT: L 106 GLU cc_start: 0.6939 (OUTLIER) cc_final: 0.6694 (mm-30) REVERT: L 175 ASP cc_start: 0.7976 (m-30) cc_final: 0.7714 (m-30) REVERT: L 179 ASN cc_start: 0.8120 (OUTLIER) cc_final: 0.7879 (m-40) REVERT: L 232 LYS cc_start: 0.6732 (OUTLIER) cc_final: 0.6353 (tttm) REVERT: M 62 ASN cc_start: 0.8086 (OUTLIER) cc_final: 0.7700 (p0) REVERT: M 106 GLU cc_start: 0.6946 (OUTLIER) cc_final: 0.6317 (mm-30) REVERT: M 162 ASP cc_start: 0.7946 (OUTLIER) cc_final: 0.7644 (m-30) REVERT: N 179 ASN cc_start: 0.8159 (OUTLIER) cc_final: 0.7887 (m110) REVERT: N 188 GLU cc_start: 0.7448 (OUTLIER) cc_final: 0.7018 (mt-10) REVERT: N 257 LYS cc_start: 0.8132 (OUTLIER) cc_final: 0.7881 (tptp) REVERT: O 24 ARG cc_start: 0.8115 (ttm110) cc_final: 0.7806 (ttp-110) REVERT: O 175 ASP cc_start: 0.7828 (m-30) cc_final: 0.7566 (m-30) REVERT: O 257 LYS cc_start: 0.8079 (OUTLIER) cc_final: 0.7775 (tptp) REVERT: P 24 ARG cc_start: 0.8104 (ttm110) cc_final: 0.7792 (ttp-110) REVERT: P 175 ASP cc_start: 0.7825 (m-30) cc_final: 0.7563 (m-30) REVERT: P 257 LYS cc_start: 0.8078 (OUTLIER) cc_final: 0.7776 (tptp) REVERT: Q 62 ASN cc_start: 0.8086 (OUTLIER) cc_final: 0.7752 (p0) REVERT: Q 124 GLU cc_start: 0.7100 (tm-30) cc_final: 0.6843 (tm-30) REVERT: Q 175 ASP cc_start: 0.7999 (m-30) cc_final: 0.7790 (m-30) REVERT: Q 232 LYS cc_start: 0.6736 (OUTLIER) cc_final: 0.6444 (tttm) REVERT: Q 257 LYS cc_start: 0.8035 (OUTLIER) cc_final: 0.7749 (tptp) REVERT: R 106 GLU cc_start: 0.6942 (OUTLIER) cc_final: 0.6696 (mm-30) REVERT: R 175 ASP cc_start: 0.7974 (m-30) cc_final: 0.7713 (m-30) REVERT: R 179 ASN cc_start: 0.8123 (OUTLIER) cc_final: 0.7873 (m-40) REVERT: R 232 LYS cc_start: 0.6731 (OUTLIER) cc_final: 0.6352 (tttm) REVERT: S 62 ASN cc_start: 0.8094 (OUTLIER) cc_final: 0.7721 (p0) REVERT: S 106 GLU cc_start: 0.6950 (OUTLIER) cc_final: 0.6321 (mm-30) REVERT: S 162 ASP cc_start: 0.7945 (OUTLIER) cc_final: 0.7642 (m-30) REVERT: T 13 GLU cc_start: 0.7211 (OUTLIER) cc_final: 0.6971 (mt-10) REVERT: T 179 ASN cc_start: 0.8160 (OUTLIER) cc_final: 0.7887 (m110) REVERT: T 188 GLU cc_start: 0.7448 (OUTLIER) cc_final: 0.7021 (mt-10) REVERT: T 257 LYS cc_start: 0.8131 (OUTLIER) cc_final: 0.7879 (tptp) REVERT: U 106 GLU cc_start: 0.6953 (OUTLIER) cc_final: 0.6708 (mm-30) REVERT: U 175 ASP cc_start: 0.7982 (m-30) cc_final: 0.7722 (m-30) REVERT: U 179 ASN cc_start: 0.8119 (OUTLIER) cc_final: 0.7867 (m-40) REVERT: U 232 LYS cc_start: 0.6733 (OUTLIER) cc_final: 0.6354 (tttm) REVERT: V 62 ASN cc_start: 0.8092 (OUTLIER) cc_final: 0.7717 (p0) REVERT: V 106 GLU cc_start: 0.6950 (OUTLIER) cc_final: 0.6320 (mm-30) REVERT: V 162 ASP cc_start: 0.7947 (OUTLIER) cc_final: 0.7646 (m-30) REVERT: W 13 GLU cc_start: 0.7212 (OUTLIER) cc_final: 0.6970 (mt-10) REVERT: W 179 ASN cc_start: 0.8158 (OUTLIER) cc_final: 0.7883 (m110) REVERT: W 257 LYS cc_start: 0.8133 (OUTLIER) cc_final: 0.7880 (tptp) REVERT: X 24 ARG cc_start: 0.8112 (ttm110) cc_final: 0.7806 (ttp-110) REVERT: X 175 ASP cc_start: 0.7827 (m-30) cc_final: 0.7559 (m-30) REVERT: X 257 LYS cc_start: 0.8075 (OUTLIER) cc_final: 0.7777 (tptp) REVERT: Y 62 ASN cc_start: 0.8083 (OUTLIER) cc_final: 0.7746 (p0) REVERT: Y 124 GLU cc_start: 0.7097 (tm-30) cc_final: 0.6837 (tm-30) REVERT: Y 175 ASP cc_start: 0.7999 (m-30) cc_final: 0.7791 (m-30) REVERT: Y 232 LYS cc_start: 0.6736 (OUTLIER) cc_final: 0.6446 (tttm) REVERT: Y 257 LYS cc_start: 0.8039 (OUTLIER) cc_final: 0.7749 (tptp) REVERT: Z 62 ASN cc_start: 0.8104 (OUTLIER) cc_final: 0.7726 (p0) REVERT: Z 106 GLU cc_start: 0.6955 (OUTLIER) cc_final: 0.6325 (mm-30) REVERT: Z 162 ASP cc_start: 0.7947 (OUTLIER) cc_final: 0.7643 (m-30) REVERT: 0 13 GLU cc_start: 0.7205 (OUTLIER) cc_final: 0.7005 (mt-10) REVERT: 0 179 ASN cc_start: 0.8158 (OUTLIER) cc_final: 0.7885 (m110) REVERT: 0 257 LYS cc_start: 0.8134 (OUTLIER) cc_final: 0.7880 (tptp) REVERT: 1 24 ARG cc_start: 0.8114 (ttm110) cc_final: 0.7805 (ttp-110) REVERT: 1 175 ASP cc_start: 0.7827 (m-30) cc_final: 0.7567 (m-30) REVERT: 1 257 LYS cc_start: 0.8072 (OUTLIER) cc_final: 0.7777 (tptp) REVERT: 2 62 ASN cc_start: 0.8088 (OUTLIER) cc_final: 0.7747 (p0) REVERT: 2 124 GLU cc_start: 0.7094 (tm-30) cc_final: 0.6837 (tm-30) REVERT: 2 175 ASP cc_start: 0.7986 (m-30) cc_final: 0.7778 (m-30) REVERT: 2 232 LYS cc_start: 0.6736 (OUTLIER) cc_final: 0.6446 (tttm) REVERT: 2 257 LYS cc_start: 0.8035 (OUTLIER) cc_final: 0.7747 (tptp) REVERT: 3 106 GLU cc_start: 0.6937 (OUTLIER) cc_final: 0.6692 (mm-30) REVERT: 3 175 ASP cc_start: 0.7974 (m-30) cc_final: 0.7714 (m-30) REVERT: 3 179 ASN cc_start: 0.8121 (OUTLIER) cc_final: 0.7868 (m-40) REVERT: 3 232 LYS cc_start: 0.6734 (OUTLIER) cc_final: 0.6353 (tttm) REVERT: 4 4 LEU cc_start: 0.7211 (OUTLIER) cc_final: 0.6858 (mt) REVERT: 4 24 ARG cc_start: 0.8106 (ttm110) cc_final: 0.7798 (ttp-110) REVERT: 4 175 ASP cc_start: 0.7826 (m-30) cc_final: 0.7562 (m-30) REVERT: 4 257 LYS cc_start: 0.8073 (OUTLIER) cc_final: 0.7772 (tptp) REVERT: 5 62 ASN cc_start: 0.8089 (OUTLIER) cc_final: 0.7751 (p0) REVERT: 5 124 GLU cc_start: 0.7088 (tm-30) cc_final: 0.6831 (tm-30) REVERT: 5 175 ASP cc_start: 0.7987 (m-30) cc_final: 0.7779 (m-30) REVERT: 5 232 LYS cc_start: 0.6739 (OUTLIER) cc_final: 0.6448 (tttm) REVERT: 5 257 LYS cc_start: 0.8039 (OUTLIER) cc_final: 0.7751 (tptp) REVERT: 6 106 GLU cc_start: 0.6951 (OUTLIER) cc_final: 0.6708 (mm-30) REVERT: 6 175 ASP cc_start: 0.7976 (m-30) cc_final: 0.7715 (m-30) REVERT: 6 179 ASN cc_start: 0.8118 (OUTLIER) cc_final: 0.7862 (m-40) REVERT: 6 232 LYS cc_start: 0.6734 (OUTLIER) cc_final: 0.6352 (tttm) REVERT: 7 62 ASN cc_start: 0.8077 (OUTLIER) cc_final: 0.7694 (p0) REVERT: 7 106 GLU cc_start: 0.6945 (OUTLIER) cc_final: 0.6313 (mm-30) REVERT: 7 162 ASP cc_start: 0.7947 (OUTLIER) cc_final: 0.7639 (m-30) REVERT: 8 179 ASN cc_start: 0.8154 (OUTLIER) cc_final: 0.7882 (m110) REVERT: 8 257 LYS cc_start: 0.8133 (OUTLIER) cc_final: 0.7883 (tptp) REVERT: 9 62 ASN cc_start: 0.8084 (OUTLIER) cc_final: 0.7750 (p0) REVERT: 9 124 GLU cc_start: 0.7096 (tm-30) cc_final: 0.6840 (tm-30) REVERT: 9 175 ASP cc_start: 0.8000 (m-30) cc_final: 0.7791 (m-30) REVERT: 9 232 LYS cc_start: 0.6734 (OUTLIER) cc_final: 0.6443 (tttm) REVERT: 9 257 LYS cc_start: 0.8041 (OUTLIER) cc_final: 0.7753 (tptp) REVERT: a 106 GLU cc_start: 0.6953 (OUTLIER) cc_final: 0.6710 (mm-30) REVERT: a 175 ASP cc_start: 0.7972 (m-30) cc_final: 0.7711 (m-30) REVERT: a 179 ASN cc_start: 0.8120 (OUTLIER) cc_final: 0.7866 (m-40) REVERT: a 232 LYS cc_start: 0.6733 (OUTLIER) cc_final: 0.6352 (tttm) REVERT: b 62 ASN cc_start: 0.8080 (OUTLIER) cc_final: 0.7698 (p0) REVERT: b 106 GLU cc_start: 0.6950 (OUTLIER) cc_final: 0.6317 (mm-30) REVERT: b 162 ASP cc_start: 0.7947 (OUTLIER) cc_final: 0.7641 (m-30) REVERT: c 179 ASN cc_start: 0.8156 (OUTLIER) cc_final: 0.7882 (m110) REVERT: c 257 LYS cc_start: 0.8133 (OUTLIER) cc_final: 0.7880 (tptp) REVERT: d 24 ARG cc_start: 0.8105 (ttm110) cc_final: 0.7796 (ttp-110) REVERT: d 175 ASP cc_start: 0.7825 (m-30) cc_final: 0.7561 (m-30) REVERT: d 257 LYS cc_start: 0.8073 (OUTLIER) cc_final: 0.7774 (tptp) REVERT: e 24 ARG cc_start: 0.8103 (ttm110) cc_final: 0.7794 (ttp-110) REVERT: e 175 ASP cc_start: 0.7830 (m-30) cc_final: 0.7559 (m-30) REVERT: e 257 LYS cc_start: 0.8075 (OUTLIER) cc_final: 0.7776 (tptp) REVERT: f 62 ASN cc_start: 0.8101 (OUTLIER) cc_final: 0.7767 (p0) REVERT: f 124 GLU cc_start: 0.7096 (tm-30) cc_final: 0.6837 (tm-30) REVERT: f 175 ASP cc_start: 0.7999 (m-30) cc_final: 0.7793 (m-30) REVERT: f 232 LYS cc_start: 0.6736 (OUTLIER) cc_final: 0.6446 (tttm) REVERT: f 257 LYS cc_start: 0.8036 (OUTLIER) cc_final: 0.7749 (tptp) REVERT: g 106 GLU cc_start: 0.6950 (OUTLIER) cc_final: 0.6708 (mm-30) REVERT: g 175 ASP cc_start: 0.7975 (m-30) cc_final: 0.7716 (m-30) REVERT: g 179 ASN cc_start: 0.8121 (OUTLIER) cc_final: 0.7864 (m-40) REVERT: g 232 LYS cc_start: 0.6735 (OUTLIER) cc_final: 0.6357 (tttm) REVERT: h 62 ASN cc_start: 0.8077 (OUTLIER) cc_final: 0.7692 (p0) REVERT: h 106 GLU cc_start: 0.6943 (OUTLIER) cc_final: 0.6312 (mm-30) REVERT: h 162 ASP cc_start: 0.7948 (OUTLIER) cc_final: 0.7644 (m-30) REVERT: i 179 ASN cc_start: 0.8159 (OUTLIER) cc_final: 0.7886 (m110) REVERT: i 188 GLU cc_start: 0.7424 (OUTLIER) cc_final: 0.6982 (mt-10) REVERT: i 257 LYS cc_start: 0.8134 (OUTLIER) cc_final: 0.7882 (tptp) REVERT: j 62 ASN cc_start: 0.8082 (OUTLIER) cc_final: 0.7744 (p0) REVERT: j 124 GLU cc_start: 0.7098 (tm-30) cc_final: 0.6839 (tm-30) REVERT: j 175 ASP cc_start: 0.7998 (m-30) cc_final: 0.7790 (m-30) REVERT: j 232 LYS cc_start: 0.6736 (OUTLIER) cc_final: 0.6444 (tttm) REVERT: j 257 LYS cc_start: 0.8036 (OUTLIER) cc_final: 0.7747 (tptp) REVERT: k 106 GLU cc_start: 0.6950 (OUTLIER) cc_final: 0.6705 (mm-30) REVERT: k 175 ASP cc_start: 0.7981 (m-30) cc_final: 0.7718 (m-30) REVERT: k 179 ASN cc_start: 0.8116 (OUTLIER) cc_final: 0.7858 (m-40) REVERT: k 232 LYS cc_start: 0.6728 (OUTLIER) cc_final: 0.6349 (tttm) REVERT: l 62 ASN cc_start: 0.8089 (OUTLIER) cc_final: 0.7718 (p0) REVERT: l 106 GLU cc_start: 0.6947 (OUTLIER) cc_final: 0.6317 (mm-30) REVERT: l 162 ASP cc_start: 0.7946 (OUTLIER) cc_final: 0.7644 (m-30) REVERT: m 179 ASN cc_start: 0.8159 (OUTLIER) cc_final: 0.7885 (m110) REVERT: m 257 LYS cc_start: 0.8129 (OUTLIER) cc_final: 0.7877 (tptp) REVERT: n 24 ARG cc_start: 0.8104 (ttm110) cc_final: 0.7793 (ttp-110) REVERT: n 175 ASP cc_start: 0.7828 (m-30) cc_final: 0.7564 (m-30) REVERT: n 257 LYS cc_start: 0.8075 (OUTLIER) cc_final: 0.7776 (tptp) REVERT: o 106 GLU cc_start: 0.6951 (OUTLIER) cc_final: 0.6709 (mm-30) REVERT: o 175 ASP cc_start: 0.7974 (m-30) cc_final: 0.7714 (m-30) REVERT: o 179 ASN cc_start: 0.8110 (OUTLIER) cc_final: 0.7863 (m-40) REVERT: o 232 LYS cc_start: 0.6735 (OUTLIER) cc_final: 0.6356 (tttm) REVERT: p 62 ASN cc_start: 0.8080 (OUTLIER) cc_final: 0.7695 (p0) REVERT: p 106 GLU cc_start: 0.6943 (OUTLIER) cc_final: 0.6311 (mm-30) REVERT: p 162 ASP cc_start: 0.7948 (OUTLIER) cc_final: 0.7643 (m-30) REVERT: q 179 ASN cc_start: 0.8161 (OUTLIER) cc_final: 0.7889 (m110) REVERT: q 257 LYS cc_start: 0.8131 (OUTLIER) cc_final: 0.7878 (tptp) REVERT: r 4 LEU cc_start: 0.7203 (OUTLIER) cc_final: 0.6881 (mt) REVERT: r 24 ARG cc_start: 0.8114 (ttm110) cc_final: 0.7805 (ttp-110) REVERT: r 175 ASP cc_start: 0.7826 (m-30) cc_final: 0.7564 (m-30) REVERT: r 257 LYS cc_start: 0.8071 (OUTLIER) cc_final: 0.7774 (tptp) REVERT: s 62 ASN cc_start: 0.8114 (OUTLIER) cc_final: 0.7775 (p0) REVERT: s 124 GLU cc_start: 0.7094 (tm-30) cc_final: 0.6832 (tm-30) REVERT: s 175 ASP cc_start: 0.8001 (m-30) cc_final: 0.7792 (m-30) REVERT: s 232 LYS cc_start: 0.6740 (OUTLIER) cc_final: 0.6450 (tttm) REVERT: s 257 LYS cc_start: 0.8043 (OUTLIER) cc_final: 0.7755 (tptp) REVERT: t 62 ASN cc_start: 0.8089 (OUTLIER) cc_final: 0.7715 (p0) REVERT: t 106 GLU cc_start: 0.6946 (OUTLIER) cc_final: 0.6316 (mm-30) REVERT: t 162 ASP cc_start: 0.7949 (OUTLIER) cc_final: 0.7646 (m-30) REVERT: u 13 GLU cc_start: 0.7205 (OUTLIER) cc_final: 0.7004 (mt-10) REVERT: u 179 ASN cc_start: 0.8159 (OUTLIER) cc_final: 0.7885 (m110) REVERT: u 257 LYS cc_start: 0.8130 (OUTLIER) cc_final: 0.7878 (tptp) REVERT: v 24 ARG cc_start: 0.8105 (ttm110) cc_final: 0.7795 (ttp-110) REVERT: v 175 ASP cc_start: 0.7826 (m-30) cc_final: 0.7562 (m-30) REVERT: v 257 LYS cc_start: 0.8076 (OUTLIER) cc_final: 0.7775 (tptp) REVERT: w 62 ASN cc_start: 0.8108 (OUTLIER) cc_final: 0.7768 (p0) REVERT: w 175 ASP cc_start: 0.8004 (m-30) cc_final: 0.7797 (m-30) REVERT: w 232 LYS cc_start: 0.6729 (OUTLIER) cc_final: 0.6439 (tttm) REVERT: w 257 LYS cc_start: 0.8038 (OUTLIER) cc_final: 0.7747 (tptp) REVERT: x 106 GLU cc_start: 0.6936 (OUTLIER) cc_final: 0.6692 (mm-30) REVERT: x 175 ASP cc_start: 0.7975 (m-30) cc_final: 0.7714 (m-30) REVERT: x 179 ASN cc_start: 0.8117 (OUTLIER) cc_final: 0.7862 (m-40) REVERT: x 232 LYS cc_start: 0.6734 (OUTLIER) cc_final: 0.6354 (tttm) outliers start: 683 outliers final: 332 residues processed: 1387 average time/residue: 1.9857 time to fit residues: 3788.8223 Evaluate side-chains 1377 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 486 poor density : 891 time to evaluate : 11.046 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 62 ASN Chi-restraints excluded: chain A residue 106 GLU Chi-restraints excluded: chain A residue 126 SER Chi-restraints excluded: chain A residue 160 SER Chi-restraints excluded: chain A residue 162 ASP Chi-restraints excluded: chain A residue 179 ASN Chi-restraints excluded: chain B residue 92 LEU Chi-restraints excluded: chain B residue 106 GLU Chi-restraints excluded: chain B residue 126 SER Chi-restraints excluded: chain B residue 160 SER Chi-restraints excluded: chain B residue 162 ASP Chi-restraints excluded: chain B residue 175 ASP Chi-restraints excluded: chain B residue 179 ASN Chi-restraints excluded: chain B residue 182 LYS Chi-restraints excluded: chain B residue 206 LEU Chi-restraints excluded: chain B residue 233 ASP Chi-restraints excluded: chain B residue 253 LEU Chi-restraints excluded: chain B residue 257 LYS Chi-restraints excluded: chain C residue 162 ASP Chi-restraints excluded: chain C residue 182 LYS Chi-restraints excluded: chain C residue 185 LYS Chi-restraints excluded: chain C residue 257 LYS Chi-restraints excluded: chain D residue 62 ASN Chi-restraints excluded: chain D residue 72 SER Chi-restraints excluded: chain D residue 160 SER Chi-restraints excluded: chain D residue 162 ASP Chi-restraints excluded: chain D residue 232 LYS Chi-restraints excluded: chain D residue 233 ASP Chi-restraints excluded: chain D residue 240 THR Chi-restraints excluded: chain D residue 253 LEU Chi-restraints excluded: chain D residue 257 LYS Chi-restraints excluded: chain E residue 72 SER Chi-restraints excluded: chain E residue 106 GLU Chi-restraints excluded: chain E residue 126 SER Chi-restraints excluded: chain E residue 160 SER Chi-restraints excluded: chain E residue 162 ASP Chi-restraints excluded: chain E residue 179 ASN Chi-restraints excluded: chain E residue 232 LYS Chi-restraints excluded: chain E residue 233 ASP Chi-restraints excluded: chain E residue 240 THR Chi-restraints excluded: chain F residue 72 SER Chi-restraints excluded: chain F residue 106 GLU Chi-restraints excluded: chain F residue 126 SER Chi-restraints excluded: chain F residue 160 SER Chi-restraints excluded: chain F residue 162 ASP Chi-restraints excluded: chain F residue 179 ASN Chi-restraints excluded: chain F residue 232 LYS Chi-restraints excluded: chain F residue 233 ASP Chi-restraints excluded: chain F residue 240 THR Chi-restraints excluded: chain G residue 62 ASN Chi-restraints excluded: chain G residue 106 GLU Chi-restraints excluded: chain G residue 126 SER Chi-restraints excluded: chain G residue 160 SER Chi-restraints excluded: chain G residue 162 ASP Chi-restraints excluded: chain G residue 179 ASN Chi-restraints excluded: chain H residue 92 LEU Chi-restraints excluded: chain H residue 106 GLU Chi-restraints excluded: chain H residue 126 SER Chi-restraints excluded: chain H residue 160 SER Chi-restraints excluded: chain H residue 162 ASP Chi-restraints excluded: chain H residue 175 ASP Chi-restraints excluded: chain H residue 179 ASN Chi-restraints excluded: chain H residue 182 LYS Chi-restraints excluded: chain H residue 206 LEU Chi-restraints excluded: chain H residue 233 ASP Chi-restraints excluded: chain H residue 253 LEU Chi-restraints excluded: chain H residue 257 LYS Chi-restraints excluded: chain I residue 4 LEU Chi-restraints excluded: chain I residue 162 ASP Chi-restraints excluded: chain I residue 182 LYS Chi-restraints excluded: chain I residue 257 LYS Chi-restraints excluded: chain J residue 62 ASN Chi-restraints excluded: chain J residue 72 SER Chi-restraints excluded: chain J residue 160 SER Chi-restraints excluded: chain J residue 162 ASP Chi-restraints excluded: chain J residue 232 LYS Chi-restraints excluded: chain J residue 233 ASP Chi-restraints excluded: chain J residue 240 THR Chi-restraints excluded: chain J residue 253 LEU Chi-restraints excluded: chain J residue 257 LYS Chi-restraints excluded: chain K residue 62 ASN Chi-restraints excluded: chain K residue 72 SER Chi-restraints excluded: chain K residue 160 SER Chi-restraints excluded: chain K residue 162 ASP Chi-restraints excluded: chain K residue 232 LYS Chi-restraints excluded: chain K residue 233 ASP Chi-restraints excluded: chain K residue 240 THR Chi-restraints excluded: chain K residue 253 LEU Chi-restraints excluded: chain K residue 257 LYS Chi-restraints excluded: chain L residue 72 SER Chi-restraints excluded: chain L residue 106 GLU Chi-restraints excluded: chain L residue 126 SER Chi-restraints excluded: chain L residue 160 SER Chi-restraints excluded: chain L residue 162 ASP Chi-restraints excluded: chain L residue 179 ASN Chi-restraints excluded: chain L residue 232 LYS Chi-restraints excluded: chain L residue 233 ASP Chi-restraints excluded: chain L residue 240 THR Chi-restraints excluded: chain M residue 62 ASN Chi-restraints excluded: chain M residue 106 GLU Chi-restraints excluded: chain M residue 126 SER Chi-restraints excluded: chain M residue 160 SER Chi-restraints excluded: chain M residue 162 ASP Chi-restraints excluded: chain M residue 179 ASN Chi-restraints excluded: chain N residue 92 LEU Chi-restraints excluded: chain N residue 106 GLU Chi-restraints excluded: chain N residue 126 SER Chi-restraints excluded: chain N residue 160 SER Chi-restraints excluded: chain N residue 162 ASP Chi-restraints excluded: chain N residue 175 ASP Chi-restraints excluded: chain N residue 179 ASN Chi-restraints excluded: chain N residue 182 LYS Chi-restraints excluded: chain N residue 188 GLU Chi-restraints excluded: chain N residue 206 LEU Chi-restraints excluded: chain N residue 233 ASP Chi-restraints excluded: chain N residue 253 LEU Chi-restraints excluded: chain N residue 257 LYS Chi-restraints excluded: chain O residue 1 MET Chi-restraints excluded: chain O residue 162 ASP Chi-restraints excluded: chain O residue 182 LYS Chi-restraints excluded: chain O residue 257 LYS Chi-restraints excluded: chain P residue 162 ASP Chi-restraints excluded: chain P residue 182 LYS Chi-restraints excluded: chain P residue 257 LYS Chi-restraints excluded: chain Q residue 62 ASN Chi-restraints excluded: chain Q residue 72 SER Chi-restraints excluded: chain Q residue 160 SER Chi-restraints excluded: chain Q residue 162 ASP Chi-restraints excluded: chain Q residue 232 LYS Chi-restraints excluded: chain Q residue 233 ASP Chi-restraints excluded: chain Q residue 240 THR Chi-restraints excluded: chain Q residue 253 LEU Chi-restraints excluded: chain Q residue 257 LYS Chi-restraints excluded: chain R residue 72 SER Chi-restraints excluded: chain R residue 106 GLU Chi-restraints excluded: chain R residue 126 SER Chi-restraints excluded: chain R residue 160 SER Chi-restraints excluded: chain R residue 162 ASP Chi-restraints excluded: chain R residue 179 ASN Chi-restraints excluded: chain R residue 232 LYS Chi-restraints excluded: chain R residue 233 ASP Chi-restraints excluded: chain R residue 240 THR Chi-restraints excluded: chain S residue 62 ASN Chi-restraints excluded: chain S residue 106 GLU Chi-restraints excluded: chain S residue 126 SER Chi-restraints excluded: chain S residue 160 SER Chi-restraints excluded: chain S residue 162 ASP Chi-restraints excluded: chain S residue 179 ASN Chi-restraints excluded: chain T residue 13 GLU Chi-restraints excluded: chain T residue 92 LEU Chi-restraints excluded: chain T residue 106 GLU Chi-restraints excluded: chain T residue 126 SER Chi-restraints excluded: chain T residue 160 SER Chi-restraints excluded: chain T residue 162 ASP Chi-restraints excluded: chain T residue 175 ASP Chi-restraints excluded: chain T residue 179 ASN Chi-restraints excluded: chain T residue 182 LYS Chi-restraints excluded: chain T residue 188 GLU Chi-restraints excluded: chain T residue 206 LEU Chi-restraints excluded: chain T residue 233 ASP Chi-restraints excluded: chain T residue 253 LEU Chi-restraints excluded: chain T residue 257 LYS Chi-restraints excluded: chain U residue 72 SER Chi-restraints excluded: chain U residue 106 GLU Chi-restraints excluded: chain U residue 126 SER Chi-restraints excluded: chain U residue 160 SER Chi-restraints excluded: chain U residue 162 ASP Chi-restraints excluded: chain U residue 179 ASN Chi-restraints excluded: chain U residue 232 LYS Chi-restraints excluded: chain U residue 233 ASP Chi-restraints excluded: chain U residue 240 THR Chi-restraints excluded: chain V residue 62 ASN Chi-restraints excluded: chain V residue 106 GLU Chi-restraints excluded: chain V residue 126 SER Chi-restraints excluded: chain V residue 160 SER Chi-restraints excluded: chain V residue 162 ASP Chi-restraints excluded: chain V residue 179 ASN Chi-restraints excluded: chain W residue 13 GLU Chi-restraints excluded: chain W residue 92 LEU Chi-restraints excluded: chain W residue 106 GLU Chi-restraints excluded: chain W residue 126 SER Chi-restraints excluded: chain W residue 160 SER Chi-restraints excluded: chain W residue 162 ASP Chi-restraints excluded: chain W residue 175 ASP Chi-restraints excluded: chain W residue 179 ASN Chi-restraints excluded: chain W residue 182 LYS Chi-restraints excluded: chain W residue 206 LEU Chi-restraints excluded: chain W residue 233 ASP Chi-restraints excluded: chain W residue 253 LEU Chi-restraints excluded: chain W residue 257 LYS Chi-restraints excluded: chain X residue 1 MET Chi-restraints excluded: chain X residue 162 ASP Chi-restraints excluded: chain X residue 182 LYS Chi-restraints excluded: chain X residue 185 LYS Chi-restraints excluded: chain X residue 257 LYS Chi-restraints excluded: chain Y residue 62 ASN Chi-restraints excluded: chain Y residue 72 SER Chi-restraints excluded: chain Y residue 160 SER Chi-restraints excluded: chain Y residue 162 ASP Chi-restraints excluded: chain Y residue 232 LYS Chi-restraints excluded: chain Y residue 233 ASP Chi-restraints excluded: chain Y residue 240 THR Chi-restraints excluded: chain Y residue 253 LEU Chi-restraints excluded: chain Y residue 257 LYS Chi-restraints excluded: chain Z residue 62 ASN Chi-restraints excluded: chain Z residue 106 GLU Chi-restraints excluded: chain Z residue 126 SER Chi-restraints excluded: chain Z residue 160 SER Chi-restraints excluded: chain Z residue 162 ASP Chi-restraints excluded: chain Z residue 179 ASN Chi-restraints excluded: chain 0 residue 13 GLU Chi-restraints excluded: chain 0 residue 92 LEU Chi-restraints excluded: chain 0 residue 106 GLU Chi-restraints excluded: chain 0 residue 126 SER Chi-restraints excluded: chain 0 residue 160 SER Chi-restraints excluded: chain 0 residue 162 ASP Chi-restraints excluded: chain 0 residue 175 ASP Chi-restraints excluded: chain 0 residue 179 ASN Chi-restraints excluded: chain 0 residue 182 LYS Chi-restraints excluded: chain 0 residue 206 LEU Chi-restraints excluded: chain 0 residue 233 ASP Chi-restraints excluded: chain 0 residue 253 LEU Chi-restraints excluded: chain 0 residue 257 LYS Chi-restraints excluded: chain 1 residue 162 ASP Chi-restraints excluded: chain 1 residue 182 LYS Chi-restraints excluded: chain 1 residue 185 LYS Chi-restraints excluded: chain 1 residue 257 LYS Chi-restraints excluded: chain 2 residue 62 ASN Chi-restraints excluded: chain 2 residue 72 SER Chi-restraints excluded: chain 2 residue 160 SER Chi-restraints excluded: chain 2 residue 162 ASP Chi-restraints excluded: chain 2 residue 232 LYS Chi-restraints excluded: chain 2 residue 233 ASP Chi-restraints excluded: chain 2 residue 240 THR Chi-restraints excluded: chain 2 residue 253 LEU Chi-restraints excluded: chain 2 residue 257 LYS Chi-restraints excluded: chain 3 residue 72 SER Chi-restraints excluded: chain 3 residue 106 GLU Chi-restraints excluded: chain 3 residue 126 SER Chi-restraints excluded: chain 3 residue 160 SER Chi-restraints excluded: chain 3 residue 162 ASP Chi-restraints excluded: chain 3 residue 179 ASN Chi-restraints excluded: chain 3 residue 232 LYS Chi-restraints excluded: chain 3 residue 233 ASP Chi-restraints excluded: chain 3 residue 240 THR Chi-restraints excluded: chain 4 residue 4 LEU Chi-restraints excluded: chain 4 residue 162 ASP Chi-restraints excluded: chain 4 residue 182 LYS Chi-restraints excluded: chain 4 residue 257 LYS Chi-restraints excluded: chain 5 residue 62 ASN Chi-restraints excluded: chain 5 residue 72 SER Chi-restraints excluded: chain 5 residue 160 SER Chi-restraints excluded: chain 5 residue 162 ASP Chi-restraints excluded: chain 5 residue 232 LYS Chi-restraints excluded: chain 5 residue 233 ASP Chi-restraints excluded: chain 5 residue 240 THR Chi-restraints excluded: chain 5 residue 253 LEU Chi-restraints excluded: chain 5 residue 257 LYS Chi-restraints excluded: chain 6 residue 72 SER Chi-restraints excluded: chain 6 residue 106 GLU Chi-restraints excluded: chain 6 residue 126 SER Chi-restraints excluded: chain 6 residue 160 SER Chi-restraints excluded: chain 6 residue 162 ASP Chi-restraints excluded: chain 6 residue 179 ASN Chi-restraints excluded: chain 6 residue 232 LYS Chi-restraints excluded: chain 6 residue 233 ASP Chi-restraints excluded: chain 6 residue 240 THR Chi-restraints excluded: chain 7 residue 62 ASN Chi-restraints excluded: chain 7 residue 106 GLU Chi-restraints excluded: chain 7 residue 126 SER Chi-restraints excluded: chain 7 residue 160 SER Chi-restraints excluded: chain 7 residue 162 ASP Chi-restraints excluded: chain 7 residue 179 ASN Chi-restraints excluded: chain 8 residue 92 LEU Chi-restraints excluded: chain 8 residue 106 GLU Chi-restraints excluded: chain 8 residue 126 SER Chi-restraints excluded: chain 8 residue 160 SER Chi-restraints excluded: chain 8 residue 162 ASP Chi-restraints excluded: chain 8 residue 175 ASP Chi-restraints excluded: chain 8 residue 179 ASN Chi-restraints excluded: chain 8 residue 182 LYS Chi-restraints excluded: chain 8 residue 206 LEU Chi-restraints excluded: chain 8 residue 233 ASP Chi-restraints excluded: chain 8 residue 253 LEU Chi-restraints excluded: chain 8 residue 257 LYS Chi-restraints excluded: chain 9 residue 62 ASN Chi-restraints excluded: chain 9 residue 72 SER Chi-restraints excluded: chain 9 residue 160 SER Chi-restraints excluded: chain 9 residue 162 ASP Chi-restraints excluded: chain 9 residue 232 LYS Chi-restraints excluded: chain 9 residue 233 ASP Chi-restraints excluded: chain 9 residue 240 THR Chi-restraints excluded: chain 9 residue 253 LEU Chi-restraints excluded: chain 9 residue 257 LYS Chi-restraints excluded: chain a residue 72 SER Chi-restraints excluded: chain a residue 106 GLU Chi-restraints excluded: chain a residue 126 SER Chi-restraints excluded: chain a residue 160 SER Chi-restraints excluded: chain a residue 162 ASP Chi-restraints excluded: chain a residue 179 ASN Chi-restraints excluded: chain a residue 232 LYS Chi-restraints excluded: chain a residue 233 ASP Chi-restraints excluded: chain a residue 240 THR Chi-restraints excluded: chain b residue 62 ASN Chi-restraints excluded: chain b residue 106 GLU Chi-restraints excluded: chain b residue 126 SER Chi-restraints excluded: chain b residue 160 SER Chi-restraints excluded: chain b residue 162 ASP Chi-restraints excluded: chain b residue 179 ASN Chi-restraints excluded: chain c residue 92 LEU Chi-restraints excluded: chain c residue 106 GLU Chi-restraints excluded: chain c residue 126 SER Chi-restraints excluded: chain c residue 160 SER Chi-restraints excluded: chain c residue 162 ASP Chi-restraints excluded: chain c residue 175 ASP Chi-restraints excluded: chain c residue 179 ASN Chi-restraints excluded: chain c residue 182 LYS Chi-restraints excluded: chain c residue 206 LEU Chi-restraints excluded: chain c residue 233 ASP Chi-restraints excluded: chain c residue 253 LEU Chi-restraints excluded: chain c residue 257 LYS Chi-restraints excluded: chain d residue 162 ASP Chi-restraints excluded: chain d residue 182 LYS Chi-restraints excluded: chain d residue 257 LYS Chi-restraints excluded: chain e residue 1 MET Chi-restraints excluded: chain e residue 162 ASP Chi-restraints excluded: chain e residue 182 LYS Chi-restraints excluded: chain e residue 257 LYS Chi-restraints excluded: chain f residue 62 ASN Chi-restraints excluded: chain f residue 72 SER Chi-restraints excluded: chain f residue 160 SER Chi-restraints excluded: chain f residue 162 ASP Chi-restraints excluded: chain f residue 232 LYS Chi-restraints excluded: chain f residue 233 ASP Chi-restraints excluded: chain f residue 240 THR Chi-restraints excluded: chain f residue 253 LEU Chi-restraints excluded: chain f residue 257 LYS Chi-restraints excluded: chain g residue 72 SER Chi-restraints excluded: chain g residue 106 GLU Chi-restraints excluded: chain g residue 126 SER Chi-restraints excluded: chain g residue 160 SER Chi-restraints excluded: chain g residue 162 ASP Chi-restraints excluded: chain g residue 179 ASN Chi-restraints excluded: chain g residue 232 LYS Chi-restraints excluded: chain g residue 233 ASP Chi-restraints excluded: chain g residue 240 THR Chi-restraints excluded: chain h residue 62 ASN Chi-restraints excluded: chain h residue 106 GLU Chi-restraints excluded: chain h residue 126 SER Chi-restraints excluded: chain h residue 160 SER Chi-restraints excluded: chain h residue 162 ASP Chi-restraints excluded: chain h residue 179 ASN Chi-restraints excluded: chain i residue 92 LEU Chi-restraints excluded: chain i residue 106 GLU Chi-restraints excluded: chain i residue 126 SER Chi-restraints excluded: chain i residue 160 SER Chi-restraints excluded: chain i residue 162 ASP Chi-restraints excluded: chain i residue 175 ASP Chi-restraints excluded: chain i residue 179 ASN Chi-restraints excluded: chain i residue 182 LYS Chi-restraints excluded: chain i residue 188 GLU Chi-restraints excluded: chain i residue 206 LEU Chi-restraints excluded: chain i residue 233 ASP Chi-restraints excluded: chain i residue 253 LEU Chi-restraints excluded: chain i residue 257 LYS Chi-restraints excluded: chain j residue 62 ASN Chi-restraints excluded: chain j residue 72 SER Chi-restraints excluded: chain j residue 160 SER Chi-restraints excluded: chain j residue 162 ASP Chi-restraints excluded: chain j residue 232 LYS Chi-restraints excluded: chain j residue 233 ASP Chi-restraints excluded: chain j residue 240 THR Chi-restraints excluded: chain j residue 253 LEU Chi-restraints excluded: chain j residue 257 LYS Chi-restraints excluded: chain k residue 72 SER Chi-restraints excluded: chain k residue 106 GLU Chi-restraints excluded: chain k residue 126 SER Chi-restraints excluded: chain k residue 160 SER Chi-restraints excluded: chain k residue 162 ASP Chi-restraints excluded: chain k residue 179 ASN Chi-restraints excluded: chain k residue 232 LYS Chi-restraints excluded: chain k residue 233 ASP Chi-restraints excluded: chain k residue 240 THR Chi-restraints excluded: chain l residue 62 ASN Chi-restraints excluded: chain l residue 106 GLU Chi-restraints excluded: chain l residue 126 SER Chi-restraints excluded: chain l residue 160 SER Chi-restraints excluded: chain l residue 162 ASP Chi-restraints excluded: chain l residue 179 ASN Chi-restraints excluded: chain m residue 92 LEU Chi-restraints excluded: chain m residue 106 GLU Chi-restraints excluded: chain m residue 126 SER Chi-restraints excluded: chain m residue 160 SER Chi-restraints excluded: chain m residue 162 ASP Chi-restraints excluded: chain m residue 175 ASP Chi-restraints excluded: chain m residue 179 ASN Chi-restraints excluded: chain m residue 182 LYS Chi-restraints excluded: chain m residue 206 LEU Chi-restraints excluded: chain m residue 233 ASP Chi-restraints excluded: chain m residue 253 LEU Chi-restraints excluded: chain m residue 257 LYS Chi-restraints excluded: chain n residue 126 SER Chi-restraints excluded: chain n residue 162 ASP Chi-restraints excluded: chain n residue 182 LYS Chi-restraints excluded: chain n residue 257 LYS Chi-restraints excluded: chain o residue 72 SER Chi-restraints excluded: chain o residue 106 GLU Chi-restraints excluded: chain o residue 126 SER Chi-restraints excluded: chain o residue 160 SER Chi-restraints excluded: chain o residue 162 ASP Chi-restraints excluded: chain o residue 179 ASN Chi-restraints excluded: chain o residue 232 LYS Chi-restraints excluded: chain o residue 233 ASP Chi-restraints excluded: chain o residue 240 THR Chi-restraints excluded: chain p residue 62 ASN Chi-restraints excluded: chain p residue 106 GLU Chi-restraints excluded: chain p residue 126 SER Chi-restraints excluded: chain p residue 160 SER Chi-restraints excluded: chain p residue 162 ASP Chi-restraints excluded: chain p residue 179 ASN Chi-restraints excluded: chain q residue 92 LEU Chi-restraints excluded: chain q residue 106 GLU Chi-restraints excluded: chain q residue 126 SER Chi-restraints excluded: chain q residue 160 SER Chi-restraints excluded: chain q residue 162 ASP Chi-restraints excluded: chain q residue 175 ASP Chi-restraints excluded: chain q residue 179 ASN Chi-restraints excluded: chain q residue 182 LYS Chi-restraints excluded: chain q residue 206 LEU Chi-restraints excluded: chain q residue 233 ASP Chi-restraints excluded: chain q residue 253 LEU Chi-restraints excluded: chain q residue 257 LYS Chi-restraints excluded: chain r residue 4 LEU Chi-restraints excluded: chain r residue 162 ASP Chi-restraints excluded: chain r residue 182 LYS Chi-restraints excluded: chain r residue 257 LYS Chi-restraints excluded: chain s residue 62 ASN Chi-restraints excluded: chain s residue 72 SER Chi-restraints excluded: chain s residue 160 SER Chi-restraints excluded: chain s residue 162 ASP Chi-restraints excluded: chain s residue 232 LYS Chi-restraints excluded: chain s residue 233 ASP Chi-restraints excluded: chain s residue 240 THR Chi-restraints excluded: chain s residue 253 LEU Chi-restraints excluded: chain s residue 257 LYS Chi-restraints excluded: chain t residue 62 ASN Chi-restraints excluded: chain t residue 106 GLU Chi-restraints excluded: chain t residue 126 SER Chi-restraints excluded: chain t residue 160 SER Chi-restraints excluded: chain t residue 162 ASP Chi-restraints excluded: chain t residue 179 ASN Chi-restraints excluded: chain u residue 13 GLU Chi-restraints excluded: chain u residue 92 LEU Chi-restraints excluded: chain u residue 106 GLU Chi-restraints excluded: chain u residue 126 SER Chi-restraints excluded: chain u residue 160 SER Chi-restraints excluded: chain u residue 162 ASP Chi-restraints excluded: chain u residue 175 ASP Chi-restraints excluded: chain u residue 179 ASN Chi-restraints excluded: chain u residue 182 LYS Chi-restraints excluded: chain u residue 206 LEU Chi-restraints excluded: chain u residue 233 ASP Chi-restraints excluded: chain u residue 253 LEU Chi-restraints excluded: chain u residue 257 LYS Chi-restraints excluded: chain v residue 162 ASP Chi-restraints excluded: chain v residue 182 LYS Chi-restraints excluded: chain v residue 185 LYS Chi-restraints excluded: chain v residue 257 LYS Chi-restraints excluded: chain w residue 62 ASN Chi-restraints excluded: chain w residue 72 SER Chi-restraints excluded: chain w residue 160 SER Chi-restraints excluded: chain w residue 162 ASP Chi-restraints excluded: chain w residue 232 LYS Chi-restraints excluded: chain w residue 233 ASP Chi-restraints excluded: chain w residue 240 THR Chi-restraints excluded: chain w residue 253 LEU Chi-restraints excluded: chain w residue 257 LYS Chi-restraints excluded: chain x residue 72 SER Chi-restraints excluded: chain x residue 106 GLU Chi-restraints excluded: chain x residue 126 SER Chi-restraints excluded: chain x residue 160 SER Chi-restraints excluded: chain x residue 162 ASP Chi-restraints excluded: chain x residue 179 ASN Chi-restraints excluded: chain x residue 232 LYS Chi-restraints excluded: chain x residue 233 ASP Chi-restraints excluded: chain x residue 240 THR Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1500 random chunks: chunk 487 optimal weight: 9.9990 chunk 1305 optimal weight: 0.9990 chunk 286 optimal weight: 0.8980 chunk 851 optimal weight: 5.9990 chunk 357 optimal weight: 5.9990 chunk 1451 optimal weight: 6.9990 chunk 1204 optimal weight: 2.9990 chunk 671 optimal weight: 2.9990 chunk 120 optimal weight: 5.9990 chunk 480 optimal weight: 2.9990 chunk 761 optimal weight: 9.9990 overall best weight: 2.1788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: D 21 ASN J 21 ASN K 21 ASN K 173 ASN Q 21 ASN W 21 ASN Y 21 ASN 2 21 ASN 2 173 ASN 5 21 ASN 5 173 ASN 9 21 ASN f 21 ASN j 21 ASN m 21 ASN q 17 GLN q 21 ASN s 21 ASN u 21 ASN w 21 ASN w 173 ASN Total number of N/Q/H flips: 21 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8134 moved from start: 0.1442 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.024 129900 Z= 0.195 Angle : 0.638 5.549 175440 Z= 0.346 Chirality : 0.046 0.150 19380 Planarity : 0.005 0.043 22320 Dihedral : 7.572 58.969 18133 Min Nonbonded Distance : 2.223 Molprobity Statistics. All-atom Clashscore : 3.35 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.20 % Favored : 96.80 % Rotamer: Outliers : 3.38 % Allowed : 17.04 % Favored : 79.58 % 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: -2.32 (0.06), residues: 15360 helix: -0.89 (0.08), residues: 4020 sheet: -0.78 (0.11), residues: 2220 loop : -2.12 (0.05), residues: 9120 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.005 0.001 TRP 1 45 HIS 0.004 0.002 HIS o 50 PHE 0.012 0.001 PHE V 3 TYR 0.010 0.001 TYR q 47 ARG 0.002 0.000 ARG o 70 *********************** 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 1488 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 465 poor density : 1023 time to evaluate : 11.130 Fit side-chains REVERT: B 179 ASN cc_start: 0.8121 (m-40) cc_final: 0.7857 (m110) REVERT: B 185 LYS cc_start: 0.7413 (mtpt) cc_final: 0.6878 (mttm) REVERT: B 257 LYS cc_start: 0.8085 (OUTLIER) cc_final: 0.7805 (tptp) REVERT: C 24 ARG cc_start: 0.8058 (ttm110) cc_final: 0.7759 (ttp-110) REVERT: C 253 LEU cc_start: 0.8135 (OUTLIER) cc_final: 0.7781 (tp) REVERT: D 124 GLU cc_start: 0.7019 (tm-30) cc_final: 0.6816 (tm-30) REVERT: D 175 ASP cc_start: 0.7780 (m-30) cc_final: 0.7516 (m-30) REVERT: E 179 ASN cc_start: 0.8053 (m-40) cc_final: 0.7784 (m-40) REVERT: F 162 ASP cc_start: 0.7958 (OUTLIER) cc_final: 0.7744 (m-30) REVERT: F 179 ASN cc_start: 0.8055 (m-40) cc_final: 0.7791 (m-40) REVERT: H 179 ASN cc_start: 0.8119 (m-40) cc_final: 0.7855 (m110) REVERT: H 185 LYS cc_start: 0.7411 (mtpt) cc_final: 0.6873 (mttm) REVERT: H 257 LYS cc_start: 0.8085 (OUTLIER) cc_final: 0.7805 (tptp) REVERT: I 24 ARG cc_start: 0.8058 (ttm110) cc_final: 0.7759 (ttp-110) REVERT: I 253 LEU cc_start: 0.8135 (OUTLIER) cc_final: 0.7780 (tp) REVERT: K 124 GLU cc_start: 0.7025 (tm-30) cc_final: 0.6822 (tm-30) REVERT: K 175 ASP cc_start: 0.7792 (m-30) cc_final: 0.7521 (m-30) REVERT: L 179 ASN cc_start: 0.8059 (m-40) cc_final: 0.7800 (m-40) REVERT: N 179 ASN cc_start: 0.8124 (m-40) cc_final: 0.7858 (m110) REVERT: N 185 LYS cc_start: 0.7414 (mtpt) cc_final: 0.6875 (mttm) REVERT: N 188 GLU cc_start: 0.7353 (OUTLIER) cc_final: 0.6930 (mt-10) REVERT: N 257 LYS cc_start: 0.8085 (OUTLIER) cc_final: 0.7805 (tptp) REVERT: O 24 ARG cc_start: 0.8060 (ttm110) cc_final: 0.7764 (ttp-110) REVERT: O 253 LEU cc_start: 0.8135 (OUTLIER) cc_final: 0.7781 (tp) REVERT: P 24 ARG cc_start: 0.8060 (ttm110) cc_final: 0.7762 (ttp-110) REVERT: P 253 LEU cc_start: 0.8134 (OUTLIER) cc_final: 0.7780 (tp) REVERT: Q 124 GLU cc_start: 0.7028 (tm-30) cc_final: 0.6824 (tm-30) REVERT: Q 175 ASP cc_start: 0.7780 (m-30) cc_final: 0.7519 (m-30) REVERT: R 179 ASN cc_start: 0.8061 (m-40) cc_final: 0.7797 (m-40) REVERT: T 13 GLU cc_start: 0.7174 (OUTLIER) cc_final: 0.6945 (mt-10) REVERT: T 179 ASN cc_start: 0.8126 (m-40) cc_final: 0.7861 (m110) REVERT: T 185 LYS cc_start: 0.7410 (mtpt) cc_final: 0.6872 (mttm) REVERT: T 188 GLU cc_start: 0.7355 (OUTLIER) cc_final: 0.6933 (mt-10) REVERT: T 257 LYS cc_start: 0.8084 (OUTLIER) cc_final: 0.7804 (tptp) REVERT: U 179 ASN cc_start: 0.8063 (m-40) cc_final: 0.7798 (m-40) REVERT: W 13 GLU cc_start: 0.7176 (OUTLIER) cc_final: 0.6945 (mt-10) REVERT: W 179 ASN cc_start: 0.8137 (m-40) cc_final: 0.7870 (m110) REVERT: W 185 LYS cc_start: 0.7415 (mtpt) cc_final: 0.6881 (mttm) REVERT: W 257 LYS cc_start: 0.8085 (OUTLIER) cc_final: 0.7806 (tptp) REVERT: X 24 ARG cc_start: 0.8061 (ttm110) cc_final: 0.7765 (ttp-110) REVERT: X 253 LEU cc_start: 0.8135 (OUTLIER) cc_final: 0.7779 (tp) REVERT: Y 124 GLU cc_start: 0.7024 (tm-30) cc_final: 0.6820 (tm-30) REVERT: Y 175 ASP cc_start: 0.7782 (m-30) cc_final: 0.7521 (m-30) REVERT: 0 13 GLU cc_start: 0.7177 (OUTLIER) cc_final: 0.6947 (mt-10) REVERT: 0 179 ASN cc_start: 0.8124 (m-40) cc_final: 0.7859 (m110) REVERT: 0 185 LYS cc_start: 0.7416 (mtpt) cc_final: 0.6882 (mttm) REVERT: 0 257 LYS cc_start: 0.8086 (OUTLIER) cc_final: 0.7805 (tptp) REVERT: 1 24 ARG cc_start: 0.8060 (ttm110) cc_final: 0.7763 (ttp-110) REVERT: 1 253 LEU cc_start: 0.8134 (OUTLIER) cc_final: 0.7779 (tp) REVERT: 2 124 GLU cc_start: 0.7022 (tm-30) cc_final: 0.6818 (tm-30) REVERT: 2 175 ASP cc_start: 0.7778 (m-30) cc_final: 0.7518 (m-30) REVERT: 3 179 ASN cc_start: 0.8055 (m-40) cc_final: 0.7790 (m-40) REVERT: 4 24 ARG cc_start: 0.8056 (ttm110) cc_final: 0.7760 (ttp-110) REVERT: 4 253 LEU cc_start: 0.8134 (OUTLIER) cc_final: 0.7780 (tp) REVERT: 5 124 GLU cc_start: 0.7014 (tm-30) cc_final: 0.6812 (tm-30) REVERT: 5 175 ASP cc_start: 0.7782 (m-30) cc_final: 0.7521 (m-30) REVERT: 6 179 ASN cc_start: 0.8052 (m-40) cc_final: 0.7786 (m-40) REVERT: 8 179 ASN cc_start: 0.8120 (m-40) cc_final: 0.7856 (m110) REVERT: 8 185 LYS cc_start: 0.7410 (mtpt) cc_final: 0.6873 (mttm) REVERT: 8 257 LYS cc_start: 0.8074 (OUTLIER) cc_final: 0.7792 (tptp) REVERT: 9 175 ASP cc_start: 0.7785 (m-30) cc_final: 0.7524 (m-30) REVERT: a 179 ASN cc_start: 0.8065 (m-40) cc_final: 0.7804 (m-40) REVERT: c 179 ASN cc_start: 0.8124 (m-40) cc_final: 0.7860 (m110) REVERT: c 185 LYS cc_start: 0.7463 (mtpt) cc_final: 0.6881 (mttm) REVERT: c 257 LYS cc_start: 0.8086 (OUTLIER) cc_final: 0.7805 (tptp) REVERT: d 24 ARG cc_start: 0.8062 (ttm110) cc_final: 0.7766 (ttp-110) REVERT: d 253 LEU cc_start: 0.8139 (OUTLIER) cc_final: 0.7785 (tp) REVERT: e 24 ARG cc_start: 0.8059 (ttm110) cc_final: 0.7766 (ttp-110) REVERT: e 253 LEU cc_start: 0.8140 (OUTLIER) cc_final: 0.7785 (tp) REVERT: f 124 GLU cc_start: 0.7021 (tm-30) cc_final: 0.6819 (tm-30) REVERT: g 179 ASN cc_start: 0.8066 (m-40) cc_final: 0.7803 (m-40) REVERT: i 179 ASN cc_start: 0.8128 (m-40) cc_final: 0.7861 (m110) REVERT: i 185 LYS cc_start: 0.7465 (mtpt) cc_final: 0.6878 (mttm) REVERT: i 188 GLU cc_start: 0.7258 (OUTLIER) cc_final: 0.6829 (mt-10) REVERT: i 257 LYS cc_start: 0.8076 (OUTLIER) cc_final: 0.7795 (tptp) REVERT: j 124 GLU cc_start: 0.7026 (tm-30) cc_final: 0.6821 (tm-30) REVERT: j 175 ASP cc_start: 0.7780 (m-30) cc_final: 0.7521 (m-30) REVERT: k 179 ASN cc_start: 0.8056 (m-40) cc_final: 0.7788 (m-40) REVERT: m 179 ASN cc_start: 0.8140 (m-40) cc_final: 0.7872 (m110) REVERT: m 185 LYS cc_start: 0.7414 (mtpt) cc_final: 0.6877 (mttm) REVERT: m 257 LYS cc_start: 0.8082 (OUTLIER) cc_final: 0.7804 (tptp) REVERT: n 24 ARG cc_start: 0.8059 (ttm110) cc_final: 0.7764 (ttp-110) REVERT: n 253 LEU cc_start: 0.8134 (OUTLIER) cc_final: 0.7779 (tp) REVERT: o 179 ASN cc_start: 0.8054 (m-40) cc_final: 0.7793 (m-40) REVERT: q 179 ASN cc_start: 0.8129 (m-40) cc_final: 0.7866 (m110) REVERT: q 185 LYS cc_start: 0.7414 (mtpt) cc_final: 0.6879 (mttm) REVERT: q 257 LYS cc_start: 0.8112 (OUTLIER) cc_final: 0.7840 (tptp) REVERT: r 24 ARG cc_start: 0.8063 (ttm110) cc_final: 0.7766 (ttp-110) REVERT: r 253 LEU cc_start: 0.8141 (OUTLIER) cc_final: 0.7786 (tp) REVERT: s 175 ASP cc_start: 0.7781 (m-30) cc_final: 0.7520 (m-30) REVERT: s 257 LYS cc_start: 0.7890 (OUTLIER) cc_final: 0.7690 (tppt) REVERT: u 13 GLU cc_start: 0.7173 (OUTLIER) cc_final: 0.6945 (mt-10) REVERT: u 179 ASN cc_start: 0.8127 (m-40) cc_final: 0.7861 (m110) REVERT: u 185 LYS cc_start: 0.7414 (mtpt) cc_final: 0.6880 (mttm) REVERT: u 257 LYS cc_start: 0.8084 (OUTLIER) cc_final: 0.7805 (tptp) REVERT: v 24 ARG cc_start: 0.8059 (ttm110) cc_final: 0.7764 (ttp-110) REVERT: v 253 LEU cc_start: 0.8135 (OUTLIER) cc_final: 0.7781 (tp) REVERT: w 124 GLU cc_start: 0.7025 (tm-30) cc_final: 0.6823 (tm-30) REVERT: w 175 ASP cc_start: 0.7787 (m-30) cc_final: 0.7529 (m-30) REVERT: x 179 ASN cc_start: 0.8059 (m-40) cc_final: 0.7792 (m-40) outliers start: 465 outliers final: 202 residues processed: 1386 average time/residue: 2.0922 time to fit residues: 3943.1856 Evaluate side-chains 1160 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 235 poor density : 925 time to evaluate : 10.929 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 1 MET Chi-restraints excluded: chain A residue 160 SER Chi-restraints excluded: chain B residue 92 LEU Chi-restraints excluded: chain B residue 162 ASP Chi-restraints excluded: chain B residue 175 ASP Chi-restraints excluded: chain B residue 182 LYS Chi-restraints excluded: chain B residue 233 ASP Chi-restraints excluded: chain B residue 253 LEU Chi-restraints excluded: chain B residue 257 LYS Chi-restraints excluded: chain C residue 162 ASP Chi-restraints excluded: chain C residue 253 LEU Chi-restraints excluded: chain D residue 72 SER Chi-restraints excluded: chain D residue 160 SER Chi-restraints excluded: chain D residue 162 ASP Chi-restraints excluded: chain D residue 253 LEU Chi-restraints excluded: chain E residue 72 SER Chi-restraints excluded: chain E residue 126 SER Chi-restraints excluded: chain E residue 160 SER Chi-restraints excluded: chain E residue 233 ASP Chi-restraints excluded: chain F residue 72 SER Chi-restraints excluded: chain F residue 160 SER Chi-restraints excluded: chain F residue 162 ASP Chi-restraints excluded: chain F residue 233 ASP Chi-restraints excluded: chain G residue 1 MET Chi-restraints excluded: chain G residue 160 SER Chi-restraints excluded: chain H residue 92 LEU Chi-restraints excluded: chain H residue 162 ASP Chi-restraints excluded: chain H residue 175 ASP Chi-restraints excluded: chain H residue 182 LYS Chi-restraints excluded: chain H residue 233 ASP Chi-restraints excluded: chain H residue 253 LEU Chi-restraints excluded: chain H residue 257 LYS Chi-restraints excluded: chain I residue 162 ASP Chi-restraints excluded: chain I residue 253 LEU Chi-restraints excluded: chain J residue 72 SER Chi-restraints excluded: chain J residue 160 SER Chi-restraints excluded: chain J residue 162 ASP Chi-restraints excluded: chain J residue 253 LEU Chi-restraints excluded: chain K residue 72 SER Chi-restraints excluded: chain K residue 160 SER Chi-restraints excluded: chain K residue 253 LEU Chi-restraints excluded: chain L residue 72 SER Chi-restraints excluded: chain L residue 126 SER Chi-restraints excluded: chain L residue 160 SER Chi-restraints excluded: chain L residue 233 ASP Chi-restraints excluded: chain M residue 1 MET Chi-restraints excluded: chain M residue 160 SER Chi-restraints excluded: chain N residue 92 LEU Chi-restraints excluded: chain N residue 162 ASP Chi-restraints excluded: chain N residue 175 ASP Chi-restraints excluded: chain N residue 182 LYS Chi-restraints excluded: chain N residue 188 GLU Chi-restraints excluded: chain N residue 233 ASP Chi-restraints excluded: chain N residue 253 LEU Chi-restraints excluded: chain N residue 257 LYS Chi-restraints excluded: chain O residue 162 ASP Chi-restraints excluded: chain O residue 253 LEU Chi-restraints excluded: chain P residue 162 ASP Chi-restraints excluded: chain P residue 253 LEU Chi-restraints excluded: chain Q residue 72 SER Chi-restraints excluded: chain Q residue 160 SER Chi-restraints excluded: chain Q residue 162 ASP Chi-restraints excluded: chain Q residue 253 LEU Chi-restraints excluded: chain R residue 72 SER Chi-restraints excluded: chain R residue 126 SER Chi-restraints excluded: chain R residue 160 SER Chi-restraints excluded: chain R residue 233 ASP Chi-restraints excluded: chain S residue 1 MET Chi-restraints excluded: chain S residue 160 SER Chi-restraints excluded: chain T residue 13 GLU Chi-restraints excluded: chain T residue 92 LEU Chi-restraints excluded: chain T residue 162 ASP Chi-restraints excluded: chain T residue 175 ASP Chi-restraints excluded: chain T residue 182 LYS Chi-restraints excluded: chain T residue 188 GLU Chi-restraints excluded: chain T residue 233 ASP Chi-restraints excluded: chain T residue 253 LEU Chi-restraints excluded: chain T residue 257 LYS Chi-restraints excluded: chain U residue 72 SER Chi-restraints excluded: chain U residue 126 SER Chi-restraints excluded: chain U residue 160 SER Chi-restraints excluded: chain U residue 233 ASP Chi-restraints excluded: chain V residue 1 MET Chi-restraints excluded: chain V residue 160 SER Chi-restraints excluded: chain W residue 13 GLU Chi-restraints excluded: chain W residue 92 LEU Chi-restraints excluded: chain W residue 162 ASP Chi-restraints excluded: chain W residue 175 ASP Chi-restraints excluded: chain W residue 182 LYS Chi-restraints excluded: chain W residue 233 ASP Chi-restraints excluded: chain W residue 253 LEU Chi-restraints excluded: chain W residue 257 LYS Chi-restraints excluded: chain X residue 162 ASP Chi-restraints excluded: chain X residue 253 LEU Chi-restraints excluded: chain Y residue 72 SER Chi-restraints excluded: chain Y residue 160 SER Chi-restraints excluded: chain Y residue 253 LEU Chi-restraints excluded: chain Z residue 1 MET Chi-restraints excluded: chain Z residue 160 SER Chi-restraints excluded: chain 0 residue 13 GLU Chi-restraints excluded: chain 0 residue 92 LEU Chi-restraints excluded: chain 0 residue 162 ASP Chi-restraints excluded: chain 0 residue 175 ASP Chi-restraints excluded: chain 0 residue 182 LYS Chi-restraints excluded: chain 0 residue 233 ASP Chi-restraints excluded: chain 0 residue 253 LEU Chi-restraints excluded: chain 0 residue 257 LYS Chi-restraints excluded: chain 1 residue 162 ASP Chi-restraints excluded: chain 1 residue 253 LEU Chi-restraints excluded: chain 2 residue 72 SER Chi-restraints excluded: chain 2 residue 160 SER Chi-restraints excluded: chain 2 residue 162 ASP Chi-restraints excluded: chain 2 residue 253 LEU Chi-restraints excluded: chain 3 residue 72 SER Chi-restraints excluded: chain 3 residue 126 SER Chi-restraints excluded: chain 3 residue 160 SER Chi-restraints excluded: chain 3 residue 233 ASP Chi-restraints excluded: chain 4 residue 13 GLU Chi-restraints excluded: chain 4 residue 162 ASP Chi-restraints excluded: chain 4 residue 253 LEU Chi-restraints excluded: chain 5 residue 72 SER Chi-restraints excluded: chain 5 residue 160 SER Chi-restraints excluded: chain 5 residue 162 ASP Chi-restraints excluded: chain 5 residue 253 LEU Chi-restraints excluded: chain 6 residue 72 SER Chi-restraints excluded: chain 6 residue 126 SER Chi-restraints excluded: chain 6 residue 160 SER Chi-restraints excluded: chain 6 residue 233 ASP Chi-restraints excluded: chain 7 residue 1 MET Chi-restraints excluded: chain 7 residue 160 SER Chi-restraints excluded: chain 8 residue 92 LEU Chi-restraints excluded: chain 8 residue 162 ASP Chi-restraints excluded: chain 8 residue 175 ASP Chi-restraints excluded: chain 8 residue 182 LYS Chi-restraints excluded: chain 8 residue 233 ASP Chi-restraints excluded: chain 8 residue 253 LEU Chi-restraints excluded: chain 8 residue 257 LYS Chi-restraints excluded: chain 9 residue 72 SER Chi-restraints excluded: chain 9 residue 160 SER Chi-restraints excluded: chain 9 residue 162 ASP Chi-restraints excluded: chain 9 residue 253 LEU Chi-restraints excluded: chain a residue 72 SER Chi-restraints excluded: chain a residue 126 SER Chi-restraints excluded: chain a residue 160 SER Chi-restraints excluded: chain a residue 233 ASP Chi-restraints excluded: chain b residue 1 MET Chi-restraints excluded: chain b residue 160 SER Chi-restraints excluded: chain c residue 92 LEU Chi-restraints excluded: chain c residue 162 ASP Chi-restraints excluded: chain c residue 175 ASP Chi-restraints excluded: chain c residue 182 LYS Chi-restraints excluded: chain c residue 233 ASP Chi-restraints excluded: chain c residue 253 LEU Chi-restraints excluded: chain c residue 257 LYS Chi-restraints excluded: chain d residue 162 ASP Chi-restraints excluded: chain d residue 253 LEU Chi-restraints excluded: chain e residue 162 ASP Chi-restraints excluded: chain e residue 253 LEU Chi-restraints excluded: chain f residue 72 SER Chi-restraints excluded: chain f residue 160 SER Chi-restraints excluded: chain f residue 253 LEU Chi-restraints excluded: chain g residue 72 SER Chi-restraints excluded: chain g residue 126 SER Chi-restraints excluded: chain g residue 160 SER Chi-restraints excluded: chain g residue 233 ASP Chi-restraints excluded: chain h residue 1 MET Chi-restraints excluded: chain h residue 160 SER Chi-restraints excluded: chain i residue 92 LEU Chi-restraints excluded: chain i residue 162 ASP Chi-restraints excluded: chain i residue 175 ASP Chi-restraints excluded: chain i residue 182 LYS Chi-restraints excluded: chain i residue 188 GLU Chi-restraints excluded: chain i residue 233 ASP Chi-restraints excluded: chain i residue 253 LEU Chi-restraints excluded: chain i residue 257 LYS Chi-restraints excluded: chain j residue 72 SER Chi-restraints excluded: chain j residue 160 SER Chi-restraints excluded: chain j residue 162 ASP Chi-restraints excluded: chain j residue 253 LEU Chi-restraints excluded: chain k residue 72 SER Chi-restraints excluded: chain k residue 126 SER Chi-restraints excluded: chain k residue 160 SER Chi-restraints excluded: chain k residue 182 LYS Chi-restraints excluded: chain k residue 233 ASP Chi-restraints excluded: chain l residue 1 MET Chi-restraints excluded: chain l residue 160 SER Chi-restraints excluded: chain m residue 92 LEU Chi-restraints excluded: chain m residue 162 ASP Chi-restraints excluded: chain m residue 175 ASP Chi-restraints excluded: chain m residue 182 LYS Chi-restraints excluded: chain m residue 233 ASP Chi-restraints excluded: chain m residue 253 LEU Chi-restraints excluded: chain m residue 257 LYS Chi-restraints excluded: chain n residue 162 ASP Chi-restraints excluded: chain n residue 253 LEU Chi-restraints excluded: chain o residue 72 SER Chi-restraints excluded: chain o residue 126 SER Chi-restraints excluded: chain o residue 160 SER Chi-restraints excluded: chain o residue 233 ASP Chi-restraints excluded: chain p residue 1 MET Chi-restraints excluded: chain p residue 160 SER Chi-restraints excluded: chain q residue 92 LEU Chi-restraints excluded: chain q residue 162 ASP Chi-restraints excluded: chain q residue 175 ASP Chi-restraints excluded: chain q residue 182 LYS Chi-restraints excluded: chain q residue 233 ASP Chi-restraints excluded: chain q residue 253 LEU Chi-restraints excluded: chain q residue 257 LYS Chi-restraints excluded: chain r residue 162 ASP Chi-restraints excluded: chain r residue 253 LEU Chi-restraints excluded: chain s residue 72 SER Chi-restraints excluded: chain s residue 160 SER Chi-restraints excluded: chain s residue 162 ASP Chi-restraints excluded: chain s residue 253 LEU Chi-restraints excluded: chain s residue 257 LYS Chi-restraints excluded: chain t residue 1 MET Chi-restraints excluded: chain t residue 160 SER Chi-restraints excluded: chain u residue 13 GLU Chi-restraints excluded: chain u residue 92 LEU Chi-restraints excluded: chain u residue 162 ASP Chi-restraints excluded: chain u residue 175 ASP Chi-restraints excluded: chain u residue 182 LYS Chi-restraints excluded: chain u residue 233 ASP Chi-restraints excluded: chain u residue 253 LEU Chi-restraints excluded: chain u residue 257 LYS Chi-restraints excluded: chain v residue 162 ASP Chi-restraints excluded: chain v residue 253 LEU Chi-restraints excluded: chain w residue 72 SER Chi-restraints excluded: chain w residue 160 SER Chi-restraints excluded: chain w residue 162 ASP Chi-restraints excluded: chain w residue 253 LEU Chi-restraints excluded: chain x residue 72 SER Chi-restraints excluded: chain x residue 126 SER Chi-restraints excluded: chain x residue 160 SER Chi-restraints excluded: chain x residue 233 ASP Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1500 random chunks: chunk 1399 optimal weight: 3.9990 chunk 163 optimal weight: 10.0000 chunk 826 optimal weight: 0.9990 chunk 1059 optimal weight: 3.9990 chunk 821 optimal weight: 9.9990 chunk 1221 optimal weight: 10.0000 chunk 810 optimal weight: 10.0000 chunk 1445 optimal weight: 6.9990 chunk 904 optimal weight: 10.0000 chunk 881 optimal weight: 4.9990 chunk 667 optimal weight: 7.9990 overall best weight: 4.1990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: F 173 ASN R 173 ASN W 21 ASN 3 173 ASN 6 173 ASN k 173 ASN m 21 ASN o 173 ASN q 21 ASN u 21 ASN Total number of N/Q/H flips: 10 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8197 moved from start: 0.1315 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.034 129900 Z= 0.296 Angle : 0.793 6.651 175440 Z= 0.425 Chirality : 0.049 0.168 19380 Planarity : 0.006 0.047 22320 Dihedral : 7.594 57.487 17903 Min Nonbonded Distance : 2.231 Molprobity Statistics. All-atom Clashscore : 3.68 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.44 % Favored : 94.56 % Rotamer: Outliers : 3.20 % Allowed : 18.13 % Favored : 78.67 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.44 (0.06), residues: 15360 helix: -0.98 (0.08), residues: 4020 sheet: -0.30 (0.14), residues: 1380 loop : -2.22 (0.05), residues: 9960 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.001 TRP v 45 HIS 0.004 0.003 HIS C 50 PHE 0.012 0.002 PHE I 114 TYR 0.011 0.002 TYR h 47 ARG 0.003 0.000 ARG S 201 *********************** 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 1337 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 440 poor density : 897 time to evaluate : 11.153 Fit side-chains REVERT: A 62 ASN cc_start: 0.8050 (OUTLIER) cc_final: 0.7682 (p0) REVERT: B 40 GLU cc_start: 0.7307 (OUTLIER) cc_final: 0.6816 (mt-10) REVERT: B 179 ASN cc_start: 0.8214 (m-40) cc_final: 0.7961 (m110) REVERT: B 257 LYS cc_start: 0.8041 (OUTLIER) cc_final: 0.7766 (tptp) REVERT: C 24 ARG cc_start: 0.8090 (ttm110) cc_final: 0.7709 (ttp-170) REVERT: C 253 LEU cc_start: 0.8333 (OUTLIER) cc_final: 0.7925 (tp) REVERT: D 124 GLU cc_start: 0.7077 (tm-30) cc_final: 0.6827 (tm-30) REVERT: D 175 ASP cc_start: 0.7912 (m-30) cc_final: 0.7666 (m-30) REVERT: D 257 LYS cc_start: 0.7793 (tppt) cc_final: 0.7492 (tptp) REVERT: E 106 GLU cc_start: 0.6909 (OUTLIER) cc_final: 0.6678 (mm-30) REVERT: E 136 GLU cc_start: 0.6759 (OUTLIER) cc_final: 0.6094 (pm20) REVERT: E 179 ASN cc_start: 0.8092 (m-40) cc_final: 0.7833 (m-40) REVERT: F 106 GLU cc_start: 0.6905 (OUTLIER) cc_final: 0.6674 (mm-30) REVERT: F 136 GLU cc_start: 0.6761 (OUTLIER) cc_final: 0.6094 (pm20) REVERT: F 162 ASP cc_start: 0.7999 (OUTLIER) cc_final: 0.7647 (m-30) REVERT: F 179 ASN cc_start: 0.8096 (m-40) cc_final: 0.7841 (m-40) REVERT: H 40 GLU cc_start: 0.7306 (OUTLIER) cc_final: 0.6816 (mt-10) REVERT: H 179 ASN cc_start: 0.8213 (m-40) cc_final: 0.7961 (m110) REVERT: H 257 LYS cc_start: 0.8040 (OUTLIER) cc_final: 0.7766 (tptp) REVERT: I 24 ARG cc_start: 0.8089 (ttm110) cc_final: 0.7709 (ttp-170) REVERT: I 253 LEU cc_start: 0.8332 (OUTLIER) cc_final: 0.7922 (tp) REVERT: K 124 GLU cc_start: 0.7078 (tm-30) cc_final: 0.6831 (tm-30) REVERT: K 175 ASP cc_start: 0.7921 (m-30) cc_final: 0.7678 (m-30) REVERT: L 106 GLU cc_start: 0.6908 (OUTLIER) cc_final: 0.6678 (mm-30) REVERT: L 136 GLU cc_start: 0.6766 (OUTLIER) cc_final: 0.6098 (pm20) REVERT: L 179 ASN cc_start: 0.8092 (m-40) cc_final: 0.7841 (m-40) REVERT: M 62 ASN cc_start: 0.8069 (OUTLIER) cc_final: 0.7698 (p0) REVERT: N 13 GLU cc_start: 0.7186 (OUTLIER) cc_final: 0.6985 (mt-10) REVERT: N 40 GLU cc_start: 0.7309 (OUTLIER) cc_final: 0.6817 (mt-10) REVERT: N 179 ASN cc_start: 0.8215 (m-40) cc_final: 0.7964 (m110) REVERT: N 188 GLU cc_start: 0.7377 (OUTLIER) cc_final: 0.6939 (mt-10) REVERT: N 257 LYS cc_start: 0.8040 (OUTLIER) cc_final: 0.7767 (tptp) REVERT: O 24 ARG cc_start: 0.8092 (ttm110) cc_final: 0.7711 (ttp-170) REVERT: O 253 LEU cc_start: 0.8336 (OUTLIER) cc_final: 0.7927 (tp) REVERT: P 24 ARG cc_start: 0.8099 (ttm110) cc_final: 0.7716 (ttp-170) REVERT: P 253 LEU cc_start: 0.8336 (OUTLIER) cc_final: 0.7926 (tp) REVERT: Q 124 GLU cc_start: 0.7081 (tm-30) cc_final: 0.6834 (tm-30) REVERT: Q 175 ASP cc_start: 0.7912 (m-30) cc_final: 0.7668 (m-30) REVERT: Q 257 LYS cc_start: 0.7793 (tppt) cc_final: 0.7488 (tptp) REVERT: R 106 GLU cc_start: 0.6911 (OUTLIER) cc_final: 0.6679 (mm-30) REVERT: R 136 GLU cc_start: 0.6764 (OUTLIER) cc_final: 0.6093 (pm20) REVERT: R 179 ASN cc_start: 0.8095 (m-40) cc_final: 0.7840 (m-40) REVERT: S 62 ASN cc_start: 0.8046 (OUTLIER) cc_final: 0.7680 (p0) REVERT: T 13 GLU cc_start: 0.7199 (OUTLIER) cc_final: 0.6972 (mt-10) REVERT: T 40 GLU cc_start: 0.7308 (OUTLIER) cc_final: 0.6818 (mt-10) REVERT: T 179 ASN cc_start: 0.8216 (m-40) cc_final: 0.7964 (m110) REVERT: T 188 GLU cc_start: 0.7376 (OUTLIER) cc_final: 0.6939 (mt-10) REVERT: T 257 LYS cc_start: 0.8038 (OUTLIER) cc_final: 0.7766 (tptp) REVERT: U 106 GLU cc_start: 0.6909 (OUTLIER) cc_final: 0.6678 (mm-30) REVERT: U 136 GLU cc_start: 0.6760 (OUTLIER) cc_final: 0.6091 (pm20) REVERT: U 179 ASN cc_start: 0.8095 (m-40) cc_final: 0.7843 (m-40) REVERT: V 62 ASN cc_start: 0.8044 (OUTLIER) cc_final: 0.7675 (p0) REVERT: W 13 GLU cc_start: 0.7196 (OUTLIER) cc_final: 0.6970 (mt-10) REVERT: W 40 GLU cc_start: 0.7308 (OUTLIER) cc_final: 0.6817 (mt-10) REVERT: W 179 ASN cc_start: 0.8219 (m-40) cc_final: 0.7967 (m110) REVERT: W 257 LYS cc_start: 0.8029 (OUTLIER) cc_final: 0.7756 (tptp) REVERT: X 24 ARG cc_start: 0.8096 (ttm110) cc_final: 0.7713 (ttp-170) REVERT: X 253 LEU cc_start: 0.8334 (OUTLIER) cc_final: 0.7925 (tp) REVERT: Y 124 GLU cc_start: 0.7079 (tm-30) cc_final: 0.6830 (tm-30) REVERT: Y 175 ASP cc_start: 0.7913 (m-30) cc_final: 0.7669 (m-30) REVERT: 0 13 GLU cc_start: 0.7201 (OUTLIER) cc_final: 0.6973 (mt-10) REVERT: 0 40 GLU cc_start: 0.7304 (OUTLIER) cc_final: 0.6813 (mt-10) REVERT: 0 179 ASN cc_start: 0.8214 (m-40) cc_final: 0.7963 (m110) REVERT: 0 257 LYS cc_start: 0.8041 (OUTLIER) cc_final: 0.7767 (tptp) REVERT: 1 24 ARG cc_start: 0.8091 (ttm110) cc_final: 0.7710 (ttp-170) REVERT: 1 253 LEU cc_start: 0.8334 (OUTLIER) cc_final: 0.7925 (tp) REVERT: 2 124 GLU cc_start: 0.7075 (tm-30) cc_final: 0.6829 (tm-30) REVERT: 2 175 ASP cc_start: 0.7912 (m-30) cc_final: 0.7668 (m-30) REVERT: 3 106 GLU cc_start: 0.6907 (OUTLIER) cc_final: 0.6678 (mm-30) REVERT: 3 136 GLU cc_start: 0.6763 (OUTLIER) cc_final: 0.6094 (pm20) REVERT: 3 179 ASN cc_start: 0.8097 (m-40) cc_final: 0.7843 (m-40) REVERT: 4 24 ARG cc_start: 0.8088 (ttm110) cc_final: 0.7709 (ttp-170) REVERT: 4 253 LEU cc_start: 0.8333 (OUTLIER) cc_final: 0.7924 (tp) REVERT: 5 124 GLU cc_start: 0.7072 (tm-30) cc_final: 0.6824 (tm-30) REVERT: 5 175 ASP cc_start: 0.7914 (m-30) cc_final: 0.7669 (m-30) REVERT: 5 257 LYS cc_start: 0.7792 (tppt) cc_final: 0.7487 (tptp) REVERT: 6 106 GLU cc_start: 0.6909 (OUTLIER) cc_final: 0.6678 (mm-30) REVERT: 6 136 GLU cc_start: 0.6763 (OUTLIER) cc_final: 0.6093 (pm20) REVERT: 6 179 ASN cc_start: 0.8095 (m-40) cc_final: 0.7836 (m-40) REVERT: 7 62 ASN cc_start: 0.8064 (OUTLIER) cc_final: 0.7695 (p0) REVERT: 8 40 GLU cc_start: 0.7309 (OUTLIER) cc_final: 0.6819 (mt-10) REVERT: 8 179 ASN cc_start: 0.8212 (m-40) cc_final: 0.7961 (m110) REVERT: 8 257 LYS cc_start: 0.8040 (OUTLIER) cc_final: 0.7767 (tptp) REVERT: 9 175 ASP cc_start: 0.7917 (m-30) cc_final: 0.7671 (m-30) REVERT: 9 257 LYS cc_start: 0.7794 (tppt) cc_final: 0.7487 (tptp) REVERT: a 106 GLU cc_start: 0.6913 (OUTLIER) cc_final: 0.6683 (mm-30) REVERT: a 136 GLU cc_start: 0.6766 (OUTLIER) cc_final: 0.6099 (pm20) REVERT: a 179 ASN cc_start: 0.8094 (m-40) cc_final: 0.7843 (m-40) REVERT: c 40 GLU cc_start: 0.7310 (OUTLIER) cc_final: 0.6817 (mt-10) REVERT: c 179 ASN cc_start: 0.8214 (m-40) cc_final: 0.7963 (m110) REVERT: c 257 LYS cc_start: 0.8029 (OUTLIER) cc_final: 0.7756 (tptp) REVERT: d 24 ARG cc_start: 0.8093 (ttm110) cc_final: 0.7711 (ttp-170) REVERT: d 253 LEU cc_start: 0.8338 (OUTLIER) cc_final: 0.7929 (tp) REVERT: e 24 ARG cc_start: 0.8099 (ttm110) cc_final: 0.7722 (ttp-170) REVERT: e 253 LEU cc_start: 0.8339 (OUTLIER) cc_final: 0.7929 (tp) REVERT: f 124 GLU cc_start: 0.7078 (tm-30) cc_final: 0.6828 (tm-30) REVERT: g 106 GLU cc_start: 0.6907 (OUTLIER) cc_final: 0.6677 (mm-30) REVERT: g 136 GLU cc_start: 0.6767 (OUTLIER) cc_final: 0.6099 (pm20) REVERT: g 179 ASN cc_start: 0.8097 (m-40) cc_final: 0.7843 (m-40) REVERT: h 62 ASN cc_start: 0.8071 (OUTLIER) cc_final: 0.7697 (p0) REVERT: i 40 GLU cc_start: 0.7307 (OUTLIER) cc_final: 0.6815 (mt-10) REVERT: i 179 ASN cc_start: 0.8217 (m-40) cc_final: 0.7965 (m110) REVERT: i 188 GLU cc_start: 0.7348 (OUTLIER) cc_final: 0.6910 (mt-10) REVERT: i 257 LYS cc_start: 0.8042 (OUTLIER) cc_final: 0.7769 (tptp) REVERT: j 124 GLU cc_start: 0.7081 (tm-30) cc_final: 0.6832 (tm-30) REVERT: j 175 ASP cc_start: 0.7913 (m-30) cc_final: 0.7673 (m-30) REVERT: j 257 LYS cc_start: 0.7794 (tppt) cc_final: 0.7488 (tptp) REVERT: k 106 GLU cc_start: 0.6907 (OUTLIER) cc_final: 0.6675 (mm-30) REVERT: k 136 GLU cc_start: 0.6762 (OUTLIER) cc_final: 0.6095 (pm20) REVERT: k 179 ASN cc_start: 0.8096 (m-40) cc_final: 0.7839 (m-40) REVERT: l 62 ASN cc_start: 0.8041 (OUTLIER) cc_final: 0.7675 (p0) REVERT: m 40 GLU cc_start: 0.7310 (OUTLIER) cc_final: 0.6817 (mt-10) REVERT: m 179 ASN cc_start: 0.8220 (m-40) cc_final: 0.7968 (m110) REVERT: m 188 GLU cc_start: 0.7360 (OUTLIER) cc_final: 0.6946 (mt-10) REVERT: m 257 LYS cc_start: 0.8037 (OUTLIER) cc_final: 0.7766 (tptp) REVERT: n 24 ARG cc_start: 0.8094 (ttm110) cc_final: 0.7713 (ttp-170) REVERT: n 253 LEU cc_start: 0.8333 (OUTLIER) cc_final: 0.7922 (tp) REVERT: o 106 GLU cc_start: 0.6910 (OUTLIER) cc_final: 0.6680 (mm-30) REVERT: o 136 GLU cc_start: 0.6765 (OUTLIER) cc_final: 0.6101 (pm20) REVERT: o 179 ASN cc_start: 0.8091 (m-40) cc_final: 0.7839 (m-40) REVERT: p 62 ASN cc_start: 0.8065 (OUTLIER) cc_final: 0.7696 (p0) REVERT: q 40 GLU cc_start: 0.7308 (OUTLIER) cc_final: 0.6816 (mt-10) REVERT: q 179 ASN cc_start: 0.8219 (m-40) cc_final: 0.7968 (m110) REVERT: q 257 LYS cc_start: 0.8128 (OUTLIER) cc_final: 0.7852 (tptp) REVERT: r 24 ARG cc_start: 0.8095 (ttm110) cc_final: 0.7712 (ttp-170) REVERT: r 253 LEU cc_start: 0.8339 (OUTLIER) cc_final: 0.7929 (tp) REVERT: s 175 ASP cc_start: 0.7916 (m-30) cc_final: 0.7668 (m-30) REVERT: s 257 LYS cc_start: 0.7947 (OUTLIER) cc_final: 0.7742 (tppt) REVERT: t 62 ASN cc_start: 0.8051 (OUTLIER) cc_final: 0.7680 (p0) REVERT: u 13 GLU cc_start: 0.7195 (OUTLIER) cc_final: 0.6971 (mt-10) REVERT: u 40 GLU cc_start: 0.7308 (OUTLIER) cc_final: 0.6815 (mt-10) REVERT: u 179 ASN cc_start: 0.8219 (m-40) cc_final: 0.7968 (m110) REVERT: u 257 LYS cc_start: 0.8038 (OUTLIER) cc_final: 0.7766 (tptp) REVERT: v 24 ARG cc_start: 0.8102 (ttm110) cc_final: 0.7721 (ttp-170) REVERT: v 253 LEU cc_start: 0.8334 (OUTLIER) cc_final: 0.7924 (tp) REVERT: w 124 GLU cc_start: 0.7080 (tm-30) cc_final: 0.6833 (tm-30) REVERT: w 175 ASP cc_start: 0.7912 (m-30) cc_final: 0.7652 (m-30) REVERT: w 257 LYS cc_start: 0.7798 (tppt) cc_final: 0.7490 (tptp) REVERT: x 106 GLU cc_start: 0.6911 (OUTLIER) cc_final: 0.6678 (mm-30) REVERT: x 136 GLU cc_start: 0.6759 (OUTLIER) cc_final: 0.6090 (pm20) REVERT: x 179 ASN cc_start: 0.8097 (m-40) cc_final: 0.7843 (m-40) outliers start: 440 outliers final: 252 residues processed: 1235 average time/residue: 2.1166 time to fit residues: 3541.1643 Evaluate side-chains 1225 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 332 poor density : 893 time to evaluate : 14.307 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 62 ASN Chi-restraints excluded: chain A residue 160 SER Chi-restraints excluded: chain B residue 40 GLU Chi-restraints excluded: chain B residue 72 SER Chi-restraints excluded: chain B residue 92 LEU Chi-restraints excluded: chain B residue 106 GLU Chi-restraints excluded: chain B residue 162 ASP Chi-restraints excluded: chain B residue 175 ASP Chi-restraints excluded: chain B residue 182 LYS Chi-restraints excluded: chain B residue 233 ASP Chi-restraints excluded: chain B residue 253 LEU Chi-restraints excluded: chain B residue 257 LYS Chi-restraints excluded: chain C residue 162 ASP Chi-restraints excluded: chain C residue 182 LYS Chi-restraints excluded: chain C residue 253 LEU Chi-restraints excluded: chain D residue 72 SER Chi-restraints excluded: chain D residue 162 ASP Chi-restraints excluded: chain D residue 233 ASP Chi-restraints excluded: chain D residue 253 LEU Chi-restraints excluded: chain E residue 72 SER Chi-restraints excluded: chain E residue 106 GLU Chi-restraints excluded: chain E residue 126 SER Chi-restraints excluded: chain E residue 136 GLU Chi-restraints excluded: chain E residue 160 SER Chi-restraints excluded: chain E residue 233 ASP Chi-restraints excluded: chain E residue 240 THR Chi-restraints excluded: chain F residue 72 SER Chi-restraints excluded: chain F residue 106 GLU Chi-restraints excluded: chain F residue 126 SER Chi-restraints excluded: chain F residue 136 GLU Chi-restraints excluded: chain F residue 160 SER Chi-restraints excluded: chain F residue 162 ASP Chi-restraints excluded: chain F residue 182 LYS Chi-restraints excluded: chain F residue 233 ASP Chi-restraints excluded: chain F residue 240 THR Chi-restraints excluded: chain G residue 160 SER Chi-restraints excluded: chain H residue 40 GLU Chi-restraints excluded: chain H residue 72 SER Chi-restraints excluded: chain H residue 92 LEU Chi-restraints excluded: chain H residue 106 GLU Chi-restraints excluded: chain H residue 162 ASP Chi-restraints excluded: chain H residue 175 ASP Chi-restraints excluded: chain H residue 182 LYS Chi-restraints excluded: chain H residue 233 ASP Chi-restraints excluded: chain H residue 253 LEU Chi-restraints excluded: chain H residue 257 LYS Chi-restraints excluded: chain I residue 162 ASP Chi-restraints excluded: chain I residue 182 LYS Chi-restraints excluded: chain I residue 253 LEU Chi-restraints excluded: chain J residue 72 SER Chi-restraints excluded: chain J residue 162 ASP Chi-restraints excluded: chain J residue 233 ASP Chi-restraints excluded: chain J residue 253 LEU Chi-restraints excluded: chain K residue 72 SER Chi-restraints excluded: chain K residue 162 ASP Chi-restraints excluded: chain K residue 233 ASP Chi-restraints excluded: chain K residue 253 LEU Chi-restraints excluded: chain L residue 72 SER Chi-restraints excluded: chain L residue 106 GLU Chi-restraints excluded: chain L residue 126 SER Chi-restraints excluded: chain L residue 136 GLU Chi-restraints excluded: chain L residue 160 SER Chi-restraints excluded: chain L residue 182 LYS Chi-restraints excluded: chain L residue 233 ASP Chi-restraints excluded: chain L residue 240 THR Chi-restraints excluded: chain M residue 62 ASN Chi-restraints excluded: chain M residue 160 SER Chi-restraints excluded: chain N residue 13 GLU Chi-restraints excluded: chain N residue 40 GLU Chi-restraints excluded: chain N residue 72 SER Chi-restraints excluded: chain N residue 92 LEU Chi-restraints excluded: chain N residue 106 GLU Chi-restraints excluded: chain N residue 162 ASP Chi-restraints excluded: chain N residue 175 ASP Chi-restraints excluded: chain N residue 182 LYS Chi-restraints excluded: chain N residue 188 GLU Chi-restraints excluded: chain N residue 233 ASP Chi-restraints excluded: chain N residue 253 LEU Chi-restraints excluded: chain N residue 257 LYS Chi-restraints excluded: chain O residue 162 ASP Chi-restraints excluded: chain O residue 182 LYS Chi-restraints excluded: chain O residue 253 LEU Chi-restraints excluded: chain P residue 162 ASP Chi-restraints excluded: chain P residue 182 LYS Chi-restraints excluded: chain P residue 253 LEU Chi-restraints excluded: chain Q residue 72 SER Chi-restraints excluded: chain Q residue 162 ASP Chi-restraints excluded: chain Q residue 233 ASP Chi-restraints excluded: chain Q residue 253 LEU Chi-restraints excluded: chain R residue 72 SER Chi-restraints excluded: chain R residue 106 GLU Chi-restraints excluded: chain R residue 126 SER Chi-restraints excluded: chain R residue 136 GLU Chi-restraints excluded: chain R residue 160 SER Chi-restraints excluded: chain R residue 182 LYS Chi-restraints excluded: chain R residue 233 ASP Chi-restraints excluded: chain R residue 240 THR Chi-restraints excluded: chain S residue 62 ASN Chi-restraints excluded: chain S residue 160 SER Chi-restraints excluded: chain T residue 13 GLU Chi-restraints excluded: chain T residue 40 GLU Chi-restraints excluded: chain T residue 72 SER Chi-restraints excluded: chain T residue 92 LEU Chi-restraints excluded: chain T residue 106 GLU Chi-restraints excluded: chain T residue 162 ASP Chi-restraints excluded: chain T residue 175 ASP Chi-restraints excluded: chain T residue 182 LYS Chi-restraints excluded: chain T residue 188 GLU Chi-restraints excluded: chain T residue 233 ASP Chi-restraints excluded: chain T residue 253 LEU Chi-restraints excluded: chain T residue 257 LYS Chi-restraints excluded: chain U residue 72 SER Chi-restraints excluded: chain U residue 106 GLU Chi-restraints excluded: chain U residue 126 SER Chi-restraints excluded: chain U residue 136 GLU Chi-restraints excluded: chain U residue 144 THR Chi-restraints excluded: chain U residue 160 SER Chi-restraints excluded: chain U residue 233 ASP Chi-restraints excluded: chain U residue 240 THR Chi-restraints excluded: chain V residue 62 ASN Chi-restraints excluded: chain V residue 160 SER Chi-restraints excluded: chain W residue 13 GLU Chi-restraints excluded: chain W residue 40 GLU Chi-restraints excluded: chain W residue 72 SER Chi-restraints excluded: chain W residue 92 LEU Chi-restraints excluded: chain W residue 106 GLU Chi-restraints excluded: chain W residue 162 ASP Chi-restraints excluded: chain W residue 175 ASP Chi-restraints excluded: chain W residue 182 LYS Chi-restraints excluded: chain W residue 233 ASP Chi-restraints excluded: chain W residue 253 LEU Chi-restraints excluded: chain W residue 257 LYS Chi-restraints excluded: chain X residue 162 ASP Chi-restraints excluded: chain X residue 182 LYS Chi-restraints excluded: chain X residue 253 LEU Chi-restraints excluded: chain Y residue 72 SER Chi-restraints excluded: chain Y residue 162 ASP Chi-restraints excluded: chain Y residue 233 ASP Chi-restraints excluded: chain Y residue 253 LEU Chi-restraints excluded: chain Z residue 160 SER Chi-restraints excluded: chain 0 residue 13 GLU Chi-restraints excluded: chain 0 residue 40 GLU Chi-restraints excluded: chain 0 residue 72 SER Chi-restraints excluded: chain 0 residue 92 LEU Chi-restraints excluded: chain 0 residue 106 GLU Chi-restraints excluded: chain 0 residue 162 ASP Chi-restraints excluded: chain 0 residue 175 ASP Chi-restraints excluded: chain 0 residue 182 LYS Chi-restraints excluded: chain 0 residue 233 ASP Chi-restraints excluded: chain 0 residue 253 LEU Chi-restraints excluded: chain 0 residue 257 LYS Chi-restraints excluded: chain 1 residue 162 ASP Chi-restraints excluded: chain 1 residue 182 LYS Chi-restraints excluded: chain 1 residue 253 LEU Chi-restraints excluded: chain 2 residue 72 SER Chi-restraints excluded: chain 2 residue 162 ASP Chi-restraints excluded: chain 2 residue 233 ASP Chi-restraints excluded: chain 2 residue 253 LEU Chi-restraints excluded: chain 3 residue 72 SER Chi-restraints excluded: chain 3 residue 106 GLU Chi-restraints excluded: chain 3 residue 126 SER Chi-restraints excluded: chain 3 residue 136 GLU Chi-restraints excluded: chain 3 residue 144 THR Chi-restraints excluded: chain 3 residue 160 SER Chi-restraints excluded: chain 3 residue 233 ASP Chi-restraints excluded: chain 3 residue 240 THR Chi-restraints excluded: chain 4 residue 162 ASP Chi-restraints excluded: chain 4 residue 182 LYS Chi-restraints excluded: chain 4 residue 253 LEU Chi-restraints excluded: chain 5 residue 72 SER Chi-restraints excluded: chain 5 residue 162 ASP Chi-restraints excluded: chain 5 residue 233 ASP Chi-restraints excluded: chain 5 residue 253 LEU Chi-restraints excluded: chain 6 residue 72 SER Chi-restraints excluded: chain 6 residue 106 GLU Chi-restraints excluded: chain 6 residue 126 SER Chi-restraints excluded: chain 6 residue 136 GLU Chi-restraints excluded: chain 6 residue 144 THR Chi-restraints excluded: chain 6 residue 160 SER Chi-restraints excluded: chain 6 residue 182 LYS Chi-restraints excluded: chain 6 residue 233 ASP Chi-restraints excluded: chain 6 residue 240 THR Chi-restraints excluded: chain 7 residue 62 ASN Chi-restraints excluded: chain 7 residue 160 SER Chi-restraints excluded: chain 8 residue 40 GLU Chi-restraints excluded: chain 8 residue 72 SER Chi-restraints excluded: chain 8 residue 92 LEU Chi-restraints excluded: chain 8 residue 106 GLU Chi-restraints excluded: chain 8 residue 162 ASP Chi-restraints excluded: chain 8 residue 175 ASP Chi-restraints excluded: chain 8 residue 182 LYS Chi-restraints excluded: chain 8 residue 233 ASP Chi-restraints excluded: chain 8 residue 253 LEU Chi-restraints excluded: chain 8 residue 257 LYS Chi-restraints excluded: chain 9 residue 72 SER Chi-restraints excluded: chain 9 residue 162 ASP Chi-restraints excluded: chain 9 residue 233 ASP Chi-restraints excluded: chain 9 residue 253 LEU Chi-restraints excluded: chain a residue 72 SER Chi-restraints excluded: chain a residue 106 GLU Chi-restraints excluded: chain a residue 126 SER Chi-restraints excluded: chain a residue 136 GLU Chi-restraints excluded: chain a residue 144 THR Chi-restraints excluded: chain a residue 160 SER Chi-restraints excluded: chain a residue 233 ASP Chi-restraints excluded: chain a residue 240 THR Chi-restraints excluded: chain b residue 160 SER Chi-restraints excluded: chain c residue 40 GLU Chi-restraints excluded: chain c residue 72 SER Chi-restraints excluded: chain c residue 92 LEU Chi-restraints excluded: chain c residue 106 GLU Chi-restraints excluded: chain c residue 162 ASP Chi-restraints excluded: chain c residue 175 ASP Chi-restraints excluded: chain c residue 182 LYS Chi-restraints excluded: chain c residue 233 ASP Chi-restraints excluded: chain c residue 253 LEU Chi-restraints excluded: chain c residue 257 LYS Chi-restraints excluded: chain d residue 162 ASP Chi-restraints excluded: chain d residue 182 LYS Chi-restraints excluded: chain d residue 253 LEU Chi-restraints excluded: chain e residue 162 ASP Chi-restraints excluded: chain e residue 182 LYS Chi-restraints excluded: chain e residue 253 LEU Chi-restraints excluded: chain f residue 72 SER Chi-restraints excluded: chain f residue 162 ASP Chi-restraints excluded: chain f residue 233 ASP Chi-restraints excluded: chain f residue 253 LEU Chi-restraints excluded: chain g residue 72 SER Chi-restraints excluded: chain g residue 106 GLU Chi-restraints excluded: chain g residue 126 SER Chi-restraints excluded: chain g residue 136 GLU Chi-restraints excluded: chain g residue 144 THR Chi-restraints excluded: chain g residue 160 SER Chi-restraints excluded: chain g residue 182 LYS Chi-restraints excluded: chain g residue 233 ASP Chi-restraints excluded: chain g residue 240 THR Chi-restraints excluded: chain h residue 62 ASN Chi-restraints excluded: chain h residue 160 SER Chi-restraints excluded: chain i residue 40 GLU Chi-restraints excluded: chain i residue 72 SER Chi-restraints excluded: chain i residue 92 LEU Chi-restraints excluded: chain i residue 106 GLU Chi-restraints excluded: chain i residue 162 ASP Chi-restraints excluded: chain i residue 175 ASP Chi-restraints excluded: chain i residue 182 LYS Chi-restraints excluded: chain i residue 188 GLU Chi-restraints excluded: chain i residue 233 ASP Chi-restraints excluded: chain i residue 253 LEU Chi-restraints excluded: chain i residue 257 LYS Chi-restraints excluded: chain j residue 72 SER Chi-restraints excluded: chain j residue 162 ASP Chi-restraints excluded: chain j residue 233 ASP Chi-restraints excluded: chain j residue 253 LEU Chi-restraints excluded: chain k residue 72 SER Chi-restraints excluded: chain k residue 106 GLU Chi-restraints excluded: chain k residue 126 SER Chi-restraints excluded: chain k residue 136 GLU Chi-restraints excluded: chain k residue 160 SER Chi-restraints excluded: chain k residue 182 LYS Chi-restraints excluded: chain k residue 233 ASP Chi-restraints excluded: chain k residue 240 THR Chi-restraints excluded: chain l residue 62 ASN Chi-restraints excluded: chain l residue 160 SER Chi-restraints excluded: chain m residue 40 GLU Chi-restraints excluded: chain m residue 72 SER Chi-restraints excluded: chain m residue 92 LEU Chi-restraints excluded: chain m residue 106 GLU Chi-restraints excluded: chain m residue 162 ASP Chi-restraints excluded: chain m residue 175 ASP Chi-restraints excluded: chain m residue 182 LYS Chi-restraints excluded: chain m residue 188 GLU Chi-restraints excluded: chain m residue 233 ASP Chi-restraints excluded: chain m residue 253 LEU Chi-restraints excluded: chain m residue 257 LYS Chi-restraints excluded: chain n residue 162 ASP Chi-restraints excluded: chain n residue 182 LYS Chi-restraints excluded: chain n residue 253 LEU Chi-restraints excluded: chain o residue 72 SER Chi-restraints excluded: chain o residue 106 GLU Chi-restraints excluded: chain o residue 126 SER Chi-restraints excluded: chain o residue 136 GLU Chi-restraints excluded: chain o residue 160 SER Chi-restraints excluded: chain o residue 233 ASP Chi-restraints excluded: chain o residue 240 THR Chi-restraints excluded: chain p residue 62 ASN Chi-restraints excluded: chain p residue 160 SER Chi-restraints excluded: chain q residue 40 GLU Chi-restraints excluded: chain q residue 72 SER Chi-restraints excluded: chain q residue 92 LEU Chi-restraints excluded: chain q residue 106 GLU Chi-restraints excluded: chain q residue 162 ASP Chi-restraints excluded: chain q residue 175 ASP Chi-restraints excluded: chain q residue 182 LYS Chi-restraints excluded: chain q residue 233 ASP Chi-restraints excluded: chain q residue 253 LEU Chi-restraints excluded: chain q residue 257 LYS Chi-restraints excluded: chain r residue 162 ASP Chi-restraints excluded: chain r residue 182 LYS Chi-restraints excluded: chain r residue 253 LEU Chi-restraints excluded: chain s residue 72 SER Chi-restraints excluded: chain s residue 162 ASP Chi-restraints excluded: chain s residue 233 ASP Chi-restraints excluded: chain s residue 253 LEU Chi-restraints excluded: chain s residue 257 LYS Chi-restraints excluded: chain t residue 62 ASN Chi-restraints excluded: chain t residue 160 SER Chi-restraints excluded: chain u residue 13 GLU Chi-restraints excluded: chain u residue 40 GLU Chi-restraints excluded: chain u residue 72 SER Chi-restraints excluded: chain u residue 92 LEU Chi-restraints excluded: chain u residue 106 GLU Chi-restraints excluded: chain u residue 162 ASP Chi-restraints excluded: chain u residue 175 ASP Chi-restraints excluded: chain u residue 182 LYS Chi-restraints excluded: chain u residue 233 ASP Chi-restraints excluded: chain u residue 253 LEU Chi-restraints excluded: chain u residue 257 LYS Chi-restraints excluded: chain v residue 162 ASP Chi-restraints excluded: chain v residue 182 LYS Chi-restraints excluded: chain v residue 253 LEU Chi-restraints excluded: chain w residue 72 SER Chi-restraints excluded: chain w residue 162 ASP Chi-restraints excluded: chain w residue 233 ASP Chi-restraints excluded: chain w residue 253 LEU Chi-restraints excluded: chain x residue 72 SER Chi-restraints excluded: chain x residue 106 GLU Chi-restraints excluded: chain x residue 126 SER Chi-restraints excluded: chain x residue 136 GLU Chi-restraints excluded: chain x residue 144 THR Chi-restraints excluded: chain x residue 160 SER Chi-restraints excluded: chain x residue 233 ASP Chi-restraints excluded: chain x residue 240 THR Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1500 random chunks: chunk 894 optimal weight: 9.9990 chunk 577 optimal weight: 10.0000 chunk 863 optimal weight: 0.0470 chunk 435 optimal weight: 8.9990 chunk 284 optimal weight: 3.9990 chunk 280 optimal weight: 10.0000 chunk 919 optimal weight: 6.9990 chunk 984 optimal weight: 0.5980 chunk 714 optimal weight: 9.9990 chunk 134 optimal weight: 9.9990 chunk 1136 optimal weight: 0.9990 overall best weight: 2.5284 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: F 173 ASN R 173 ASN W 21 ASN 3 173 ASN 6 173 ASN k 173 ASN m 21 ASN o 173 ASN q 17 GLN q 21 ASN u 21 ASN Total number of N/Q/H flips: 11 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8143 moved from start: 0.1455 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.029 129900 Z= 0.213 Angle : 0.661 5.892 175440 Z= 0.357 Chirality : 0.046 0.154 19380 Planarity : 0.005 0.043 22320 Dihedral : 7.212 57.670 17891 Min Nonbonded Distance : 2.227 Molprobity Statistics. All-atom Clashscore : 3.45 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.37 % Favored : 96.63 % Rotamer: Outliers : 2.63 % Allowed : 18.85 % Favored : 78.52 % 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: -2.33 (0.06), residues: 15360 helix: -0.78 (0.08), residues: 4020 sheet: -0.32 (0.14), residues: 1380 loop : -2.18 (0.05), residues: 9960 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.001 TRP 1 45 HIS 0.004 0.002 HIS e 50 PHE 0.012 0.001 PHE 5 114 TYR 0.010 0.001 TYR W 47 ARG 0.002 0.000 ARG S 201 *********************** 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 1323 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 361 poor density : 962 time to evaluate : 11.147 Fit side-chains REVERT: B 40 GLU cc_start: 0.7220 (OUTLIER) cc_final: 0.6804 (mt-10) REVERT: B 106 GLU cc_start: 0.6868 (OUTLIER) cc_final: 0.6246 (mm-30) REVERT: B 179 ASN cc_start: 0.8155 (m-40) cc_final: 0.7914 (m110) REVERT: B 257 LYS cc_start: 0.8055 (OUTLIER) cc_final: 0.7780 (tptp) REVERT: C 24 ARG cc_start: 0.8062 (ttm110) cc_final: 0.7762 (ttp-110) REVERT: C 253 LEU cc_start: 0.8175 (OUTLIER) cc_final: 0.7797 (tp) REVERT: D 62 ASN cc_start: 0.7953 (OUTLIER) cc_final: 0.7631 (p0) REVERT: D 124 GLU cc_start: 0.7014 (tm-30) cc_final: 0.6807 (tm-30) REVERT: D 257 LYS cc_start: 0.7894 (tppt) cc_final: 0.7589 (tptp) REVERT: E 136 GLU cc_start: 0.6610 (OUTLIER) cc_final: 0.5971 (pm20) REVERT: E 179 ASN cc_start: 0.8041 (m-40) cc_final: 0.7797 (m110) REVERT: F 136 GLU cc_start: 0.6612 (OUTLIER) cc_final: 0.5968 (pm20) REVERT: F 162 ASP cc_start: 0.7972 (OUTLIER) cc_final: 0.7756 (m-30) REVERT: F 179 ASN cc_start: 0.8049 (OUTLIER) cc_final: 0.7810 (m110) REVERT: G 62 ASN cc_start: 0.7938 (OUTLIER) cc_final: 0.7608 (p0) REVERT: H 40 GLU cc_start: 0.7218 (OUTLIER) cc_final: 0.6804 (mt-10) REVERT: H 257 LYS cc_start: 0.8055 (OUTLIER) cc_final: 0.7778 (tptp) REVERT: I 24 ARG cc_start: 0.8068 (ttm110) cc_final: 0.7772 (ttp-110) REVERT: I 253 LEU cc_start: 0.8173 (OUTLIER) cc_final: 0.7796 (tp) REVERT: J 62 ASN cc_start: 0.7988 (OUTLIER) cc_final: 0.7661 (p0) REVERT: J 257 LYS cc_start: 0.7885 (tppt) cc_final: 0.7581 (tptp) REVERT: K 62 ASN cc_start: 0.7950 (OUTLIER) cc_final: 0.7630 (p0) REVERT: K 124 GLU cc_start: 0.7018 (tm-30) cc_final: 0.6810 (tm-30) REVERT: K 257 LYS cc_start: 0.7886 (tppt) cc_final: 0.7581 (tptp) REVERT: L 136 GLU cc_start: 0.6617 (OUTLIER) cc_final: 0.5976 (pm20) REVERT: L 179 ASN cc_start: 0.8036 (OUTLIER) cc_final: 0.7801 (m110) REVERT: N 13 GLU cc_start: 0.7155 (OUTLIER) cc_final: 0.6953 (mt-10) REVERT: N 188 GLU cc_start: 0.7173 (OUTLIER) cc_final: 0.6736 (mt-10) REVERT: N 257 LYS cc_start: 0.8055 (OUTLIER) cc_final: 0.7780 (tptp) REVERT: O 24 ARG cc_start: 0.8073 (ttm110) cc_final: 0.7687 (ttp-170) REVERT: O 253 LEU cc_start: 0.8178 (OUTLIER) cc_final: 0.7799 (tp) REVERT: P 24 ARG cc_start: 0.8065 (ttm110) cc_final: 0.7766 (ttp-110) REVERT: P 253 LEU cc_start: 0.8177 (OUTLIER) cc_final: 0.7796 (tp) REVERT: Q 62 ASN cc_start: 0.7955 (OUTLIER) cc_final: 0.7632 (p0) REVERT: Q 124 GLU cc_start: 0.7021 (tm-30) cc_final: 0.6812 (tm-30) REVERT: Q 257 LYS cc_start: 0.7889 (tppt) cc_final: 0.7584 (tptp) REVERT: R 136 GLU cc_start: 0.6618 (OUTLIER) cc_final: 0.5974 (pm20) REVERT: R 179 ASN cc_start: 0.8044 (OUTLIER) cc_final: 0.7805 (m110) REVERT: T 13 GLU cc_start: 0.7181 (OUTLIER) cc_final: 0.6950 (mt-10) REVERT: T 179 ASN cc_start: 0.8159 (m-40) cc_final: 0.7918 (m110) REVERT: T 188 GLU cc_start: 0.7174 (OUTLIER) cc_final: 0.6736 (mt-10) REVERT: T 257 LYS cc_start: 0.8042 (OUTLIER) cc_final: 0.7765 (tptp) REVERT: U 136 GLU cc_start: 0.6611 (OUTLIER) cc_final: 0.5968 (pm20) REVERT: U 179 ASN cc_start: 0.8039 (OUTLIER) cc_final: 0.7799 (m110) REVERT: W 13 GLU cc_start: 0.7181 (OUTLIER) cc_final: 0.6952 (mt-10) REVERT: W 40 GLU cc_start: 0.7219 (OUTLIER) cc_final: 0.6804 (mt-10) REVERT: W 257 LYS cc_start: 0.8046 (OUTLIER) cc_final: 0.7767 (tptp) REVERT: X 24 ARG cc_start: 0.8066 (ttm110) cc_final: 0.7768 (ttp-110) REVERT: X 253 LEU cc_start: 0.8178 (OUTLIER) cc_final: 0.7798 (tp) REVERT: Y 62 ASN cc_start: 0.7963 (OUTLIER) cc_final: 0.7647 (p0) REVERT: Y 124 GLU cc_start: 0.7018 (tm-30) cc_final: 0.6806 (tm-30) REVERT: Y 257 LYS cc_start: 0.7901 (tppt) cc_final: 0.7597 (tptp) REVERT: Z 62 ASN cc_start: 0.7983 (OUTLIER) cc_final: 0.7668 (p0) REVERT: 0 13 GLU cc_start: 0.7183 (OUTLIER) cc_final: 0.6952 (mt-10) REVERT: 0 40 GLU cc_start: 0.7215 (OUTLIER) cc_final: 0.6802 (mt-10) REVERT: 0 106 GLU cc_start: 0.6862 (OUTLIER) cc_final: 0.6244 (mm-30) REVERT: 0 179 ASN cc_start: 0.8158 (m-40) cc_final: 0.7918 (m110) REVERT: 0 257 LYS cc_start: 0.8045 (OUTLIER) cc_final: 0.7765 (tptp) REVERT: 1 24 ARG cc_start: 0.8073 (ttm110) cc_final: 0.7777 (ttp-110) REVERT: 1 253 LEU cc_start: 0.8176 (OUTLIER) cc_final: 0.7796 (tp) REVERT: 2 62 ASN cc_start: 0.7965 (OUTLIER) cc_final: 0.7647 (p0) REVERT: 2 124 GLU cc_start: 0.7015 (tm-30) cc_final: 0.6806 (tm-30) REVERT: 2 257 LYS cc_start: 0.7883 (tppt) cc_final: 0.7578 (tptp) REVERT: 3 136 GLU cc_start: 0.6616 (OUTLIER) cc_final: 0.5973 (pm20) REVERT: 3 179 ASN cc_start: 0.8048 (OUTLIER) cc_final: 0.7809 (m110) REVERT: 4 24 ARG cc_start: 0.8069 (ttm110) cc_final: 0.7683 (ttp-170) REVERT: 4 253 LEU cc_start: 0.8174 (OUTLIER) cc_final: 0.7796 (tp) REVERT: 5 62 ASN cc_start: 0.7960 (OUTLIER) cc_final: 0.7636 (p0) REVERT: 5 124 GLU cc_start: 0.7008 (tm-30) cc_final: 0.6802 (tm-30) REVERT: 5 257 LYS cc_start: 0.7885 (tppt) cc_final: 0.7582 (tptp) REVERT: 6 136 GLU cc_start: 0.6613 (OUTLIER) cc_final: 0.5970 (pm20) REVERT: 6 179 ASN cc_start: 0.8048 (OUTLIER) cc_final: 0.7806 (m110) REVERT: 8 40 GLU cc_start: 0.7219 (OUTLIER) cc_final: 0.6808 (mt-10) REVERT: 8 179 ASN cc_start: 0.8138 (m-40) cc_final: 0.7892 (m110) REVERT: 8 257 LYS cc_start: 0.8055 (OUTLIER) cc_final: 0.7780 (tptp) REVERT: 9 62 ASN cc_start: 0.7953 (OUTLIER) cc_final: 0.7634 (p0) REVERT: 9 257 LYS cc_start: 0.7889 (tppt) cc_final: 0.7582 (tptp) REVERT: a 136 GLU cc_start: 0.6622 (OUTLIER) cc_final: 0.5975 (pm20) REVERT: a 179 ASN cc_start: 0.8042 (OUTLIER) cc_final: 0.7801 (m110) REVERT: b 62 ASN cc_start: 0.7980 (OUTLIER) cc_final: 0.7668 (p0) REVERT: c 40 GLU cc_start: 0.7219 (OUTLIER) cc_final: 0.6806 (mt-10) REVERT: c 179 ASN cc_start: 0.8154 (m-40) cc_final: 0.7912 (m110) REVERT: c 257 LYS cc_start: 0.8058 (OUTLIER) cc_final: 0.7782 (tptp) REVERT: d 24 ARG cc_start: 0.8067 (ttm110) cc_final: 0.7766 (ttp-110) REVERT: d 253 LEU cc_start: 0.8181 (OUTLIER) cc_final: 0.7800 (tp) REVERT: e 24 ARG cc_start: 0.8065 (ttm110) cc_final: 0.7768 (ttp-110) REVERT: e 253 LEU cc_start: 0.8183 (OUTLIER) cc_final: 0.7801 (tp) REVERT: f 62 ASN cc_start: 0.7954 (OUTLIER) cc_final: 0.7643 (p0) REVERT: f 124 GLU cc_start: 0.7016 (tm-30) cc_final: 0.6808 (tm-30) REVERT: f 257 LYS cc_start: 0.7886 (tppt) cc_final: 0.7579 (tptp) REVERT: g 136 GLU cc_start: 0.6624 (OUTLIER) cc_final: 0.5977 (pm20) REVERT: g 179 ASN cc_start: 0.8042 (OUTLIER) cc_final: 0.7799 (m110) REVERT: i 40 GLU cc_start: 0.7217 (OUTLIER) cc_final: 0.6804 (mt-10) REVERT: i 179 ASN cc_start: 0.8141 (m-40) cc_final: 0.7894 (m110) REVERT: i 188 GLU cc_start: 0.7216 (OUTLIER) cc_final: 0.6779 (mt-10) REVERT: i 257 LYS cc_start: 0.8047 (OUTLIER) cc_final: 0.7769 (tptp) REVERT: j 62 ASN cc_start: 0.7966 (OUTLIER) cc_final: 0.7649 (p0) REVERT: j 124 GLU cc_start: 0.7018 (tm-30) cc_final: 0.6807 (tm-30) REVERT: j 257 LYS cc_start: 0.7884 (tppt) cc_final: 0.7581 (tptp) REVERT: k 136 GLU cc_start: 0.6615 (OUTLIER) cc_final: 0.5971 (pm20) REVERT: k 179 ASN cc_start: 0.8050 (OUTLIER) cc_final: 0.7807 (m110) REVERT: m 188 GLU cc_start: 0.7234 (OUTLIER) cc_final: 0.6798 (mt-10) REVERT: m 257 LYS cc_start: 0.8053 (OUTLIER) cc_final: 0.7779 (tptp) REVERT: n 24 ARG cc_start: 0.8066 (ttm110) cc_final: 0.7769 (ttp-110) REVERT: n 253 LEU cc_start: 0.8176 (OUTLIER) cc_final: 0.7795 (tp) REVERT: o 136 GLU cc_start: 0.6623 (OUTLIER) cc_final: 0.5982 (pm20) REVERT: o 179 ASN cc_start: 0.8043 (OUTLIER) cc_final: 0.7804 (m110) REVERT: q 40 GLU cc_start: 0.7218 (OUTLIER) cc_final: 0.6805 (mt-10) REVERT: q 179 ASN cc_start: 0.8159 (m-40) cc_final: 0.7917 (m110) REVERT: q 257 LYS cc_start: 0.8059 (OUTLIER) cc_final: 0.7786 (tptp) REVERT: r 24 ARG cc_start: 0.8076 (ttm110) cc_final: 0.7778 (ttp-110) REVERT: r 253 LEU cc_start: 0.8181 (OUTLIER) cc_final: 0.7800 (tp) REVERT: s 62 ASN cc_start: 0.7977 (OUTLIER) cc_final: 0.7655 (p0) REVERT: s 257 LYS cc_start: 0.7897 (OUTLIER) cc_final: 0.7688 (tppt) REVERT: u 13 GLU cc_start: 0.7163 (OUTLIER) cc_final: 0.6932 (mt-10) REVERT: u 40 GLU cc_start: 0.7219 (OUTLIER) cc_final: 0.6803 (mt-10) REVERT: u 257 LYS cc_start: 0.8042 (OUTLIER) cc_final: 0.7765 (tptp) REVERT: v 24 ARG cc_start: 0.8067 (ttm110) cc_final: 0.7767 (ttp-110) REVERT: v 253 LEU cc_start: 0.8176 (OUTLIER) cc_final: 0.7796 (tp) REVERT: w 62 ASN cc_start: 0.7966 (OUTLIER) cc_final: 0.7642 (p0) REVERT: w 124 GLU cc_start: 0.7019 (tm-30) cc_final: 0.6811 (tm-30) REVERT: w 257 LYS cc_start: 0.7888 (tppt) cc_final: 0.7583 (tptp) REVERT: x 136 GLU cc_start: 0.6612 (OUTLIER) cc_final: 0.5969 (pm20) REVERT: x 179 ASN cc_start: 0.8046 (OUTLIER) cc_final: 0.7803 (m110) outliers start: 361 outliers final: 222 residues processed: 1261 average time/residue: 2.1527 time to fit residues: 3637.3164 Evaluate side-chains 1235 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 306 poor density : 929 time to evaluate : 10.863 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 160 SER Chi-restraints excluded: chain B residue 40 GLU Chi-restraints excluded: chain B residue 72 SER Chi-restraints excluded: chain B residue 92 LEU Chi-restraints excluded: chain B residue 106 GLU Chi-restraints excluded: chain B residue 162 ASP Chi-restraints excluded: chain B residue 175 ASP Chi-restraints excluded: chain B residue 182 LYS Chi-restraints excluded: chain B residue 233 ASP Chi-restraints excluded: chain B residue 253 LEU Chi-restraints excluded: chain B residue 257 LYS Chi-restraints excluded: chain C residue 162 ASP Chi-restraints excluded: chain C residue 182 LYS Chi-restraints excluded: chain C residue 253 LEU Chi-restraints excluded: chain D residue 62 ASN Chi-restraints excluded: chain D residue 72 SER Chi-restraints excluded: chain D residue 162 ASP Chi-restraints excluded: chain D residue 233 ASP Chi-restraints excluded: chain D residue 253 LEU Chi-restraints excluded: chain E residue 72 SER Chi-restraints excluded: chain E residue 136 GLU Chi-restraints excluded: chain E residue 182 LYS Chi-restraints excluded: chain E residue 233 ASP Chi-restraints excluded: chain F residue 72 SER Chi-restraints excluded: chain F residue 126 SER Chi-restraints excluded: chain F residue 136 GLU Chi-restraints excluded: chain F residue 162 ASP Chi-restraints excluded: chain F residue 179 ASN Chi-restraints excluded: chain F residue 182 LYS Chi-restraints excluded: chain F residue 233 ASP Chi-restraints excluded: chain G residue 13 GLU Chi-restraints excluded: chain G residue 62 ASN Chi-restraints excluded: chain G residue 160 SER Chi-restraints excluded: chain H residue 40 GLU Chi-restraints excluded: chain H residue 72 SER Chi-restraints excluded: chain H residue 92 LEU Chi-restraints excluded: chain H residue 106 GLU Chi-restraints excluded: chain H residue 162 ASP Chi-restraints excluded: chain H residue 175 ASP Chi-restraints excluded: chain H residue 182 LYS Chi-restraints excluded: chain H residue 233 ASP Chi-restraints excluded: chain H residue 253 LEU Chi-restraints excluded: chain H residue 257 LYS Chi-restraints excluded: chain I residue 162 ASP Chi-restraints excluded: chain I residue 182 LYS Chi-restraints excluded: chain I residue 253 LEU Chi-restraints excluded: chain J residue 62 ASN Chi-restraints excluded: chain J residue 72 SER Chi-restraints excluded: chain J residue 162 ASP Chi-restraints excluded: chain J residue 233 ASP Chi-restraints excluded: chain J residue 253 LEU Chi-restraints excluded: chain K residue 62 ASN Chi-restraints excluded: chain K residue 72 SER Chi-restraints excluded: chain K residue 162 ASP Chi-restraints excluded: chain K residue 233 ASP Chi-restraints excluded: chain K residue 253 LEU Chi-restraints excluded: chain L residue 72 SER Chi-restraints excluded: chain L residue 136 GLU Chi-restraints excluded: chain L residue 179 ASN Chi-restraints excluded: chain L residue 182 LYS Chi-restraints excluded: chain L residue 233 ASP Chi-restraints excluded: chain M residue 160 SER Chi-restraints excluded: chain N residue 13 GLU Chi-restraints excluded: chain N residue 72 SER Chi-restraints excluded: chain N residue 92 LEU Chi-restraints excluded: chain N residue 106 GLU Chi-restraints excluded: chain N residue 162 ASP Chi-restraints excluded: chain N residue 175 ASP Chi-restraints excluded: chain N residue 182 LYS Chi-restraints excluded: chain N residue 188 GLU Chi-restraints excluded: chain N residue 233 ASP Chi-restraints excluded: chain N residue 253 LEU Chi-restraints excluded: chain N residue 257 LYS Chi-restraints excluded: chain O residue 162 ASP Chi-restraints excluded: chain O residue 182 LYS Chi-restraints excluded: chain O residue 253 LEU Chi-restraints excluded: chain P residue 162 ASP Chi-restraints excluded: chain P residue 182 LYS Chi-restraints excluded: chain P residue 253 LEU Chi-restraints excluded: chain Q residue 62 ASN Chi-restraints excluded: chain Q residue 72 SER Chi-restraints excluded: chain Q residue 162 ASP Chi-restraints excluded: chain Q residue 233 ASP Chi-restraints excluded: chain Q residue 253 LEU Chi-restraints excluded: chain R residue 72 SER Chi-restraints excluded: chain R residue 136 GLU Chi-restraints excluded: chain R residue 179 ASN Chi-restraints excluded: chain R residue 182 LYS Chi-restraints excluded: chain R residue 233 ASP Chi-restraints excluded: chain S residue 160 SER Chi-restraints excluded: chain T residue 13 GLU Chi-restraints excluded: chain T residue 72 SER Chi-restraints excluded: chain T residue 92 LEU Chi-restraints excluded: chain T residue 106 GLU Chi-restraints excluded: chain T residue 162 ASP Chi-restraints excluded: chain T residue 175 ASP Chi-restraints excluded: chain T residue 182 LYS Chi-restraints excluded: chain T residue 188 GLU Chi-restraints excluded: chain T residue 233 ASP Chi-restraints excluded: chain T residue 253 LEU Chi-restraints excluded: chain T residue 257 LYS Chi-restraints excluded: chain U residue 72 SER Chi-restraints excluded: chain U residue 136 GLU Chi-restraints excluded: chain U residue 144 THR Chi-restraints excluded: chain U residue 179 ASN Chi-restraints excluded: chain U residue 182 LYS Chi-restraints excluded: chain U residue 233 ASP Chi-restraints excluded: chain V residue 160 SER Chi-restraints excluded: chain W residue 13 GLU Chi-restraints excluded: chain W residue 40 GLU Chi-restraints excluded: chain W residue 72 SER Chi-restraints excluded: chain W residue 92 LEU Chi-restraints excluded: chain W residue 106 GLU Chi-restraints excluded: chain W residue 162 ASP Chi-restraints excluded: chain W residue 175 ASP Chi-restraints excluded: chain W residue 182 LYS Chi-restraints excluded: chain W residue 233 ASP Chi-restraints excluded: chain W residue 253 LEU Chi-restraints excluded: chain W residue 257 LYS Chi-restraints excluded: chain X residue 162 ASP Chi-restraints excluded: chain X residue 182 LYS Chi-restraints excluded: chain X residue 253 LEU Chi-restraints excluded: chain Y residue 62 ASN Chi-restraints excluded: chain Y residue 72 SER Chi-restraints excluded: chain Y residue 162 ASP Chi-restraints excluded: chain Y residue 233 ASP Chi-restraints excluded: chain Y residue 253 LEU Chi-restraints excluded: chain Z residue 62 ASN Chi-restraints excluded: chain Z residue 160 SER Chi-restraints excluded: chain 0 residue 13 GLU Chi-restraints excluded: chain 0 residue 40 GLU Chi-restraints excluded: chain 0 residue 72 SER Chi-restraints excluded: chain 0 residue 92 LEU Chi-restraints excluded: chain 0 residue 106 GLU Chi-restraints excluded: chain 0 residue 162 ASP Chi-restraints excluded: chain 0 residue 175 ASP Chi-restraints excluded: chain 0 residue 182 LYS Chi-restraints excluded: chain 0 residue 233 ASP Chi-restraints excluded: chain 0 residue 253 LEU Chi-restraints excluded: chain 0 residue 257 LYS Chi-restraints excluded: chain 1 residue 162 ASP Chi-restraints excluded: chain 1 residue 182 LYS Chi-restraints excluded: chain 1 residue 253 LEU Chi-restraints excluded: chain 2 residue 62 ASN Chi-restraints excluded: chain 2 residue 72 SER Chi-restraints excluded: chain 2 residue 162 ASP Chi-restraints excluded: chain 2 residue 233 ASP Chi-restraints excluded: chain 2 residue 253 LEU Chi-restraints excluded: chain 3 residue 72 SER Chi-restraints excluded: chain 3 residue 136 GLU Chi-restraints excluded: chain 3 residue 179 ASN Chi-restraints excluded: chain 3 residue 182 LYS Chi-restraints excluded: chain 3 residue 233 ASP Chi-restraints excluded: chain 4 residue 162 ASP Chi-restraints excluded: chain 4 residue 182 LYS Chi-restraints excluded: chain 4 residue 253 LEU Chi-restraints excluded: chain 5 residue 62 ASN Chi-restraints excluded: chain 5 residue 72 SER Chi-restraints excluded: chain 5 residue 162 ASP Chi-restraints excluded: chain 5 residue 233 ASP Chi-restraints excluded: chain 5 residue 253 LEU Chi-restraints excluded: chain 6 residue 72 SER Chi-restraints excluded: chain 6 residue 136 GLU Chi-restraints excluded: chain 6 residue 144 THR Chi-restraints excluded: chain 6 residue 179 ASN Chi-restraints excluded: chain 6 residue 182 LYS Chi-restraints excluded: chain 6 residue 233 ASP Chi-restraints excluded: chain 7 residue 160 SER Chi-restraints excluded: chain 8 residue 40 GLU Chi-restraints excluded: chain 8 residue 72 SER Chi-restraints excluded: chain 8 residue 92 LEU Chi-restraints excluded: chain 8 residue 106 GLU Chi-restraints excluded: chain 8 residue 162 ASP Chi-restraints excluded: chain 8 residue 175 ASP Chi-restraints excluded: chain 8 residue 182 LYS Chi-restraints excluded: chain 8 residue 233 ASP Chi-restraints excluded: chain 8 residue 253 LEU Chi-restraints excluded: chain 8 residue 257 LYS Chi-restraints excluded: chain 9 residue 62 ASN Chi-restraints excluded: chain 9 residue 72 SER Chi-restraints excluded: chain 9 residue 162 ASP Chi-restraints excluded: chain 9 residue 233 ASP Chi-restraints excluded: chain 9 residue 253 LEU Chi-restraints excluded: chain a residue 72 SER Chi-restraints excluded: chain a residue 136 GLU Chi-restraints excluded: chain a residue 179 ASN Chi-restraints excluded: chain a residue 182 LYS Chi-restraints excluded: chain a residue 233 ASP Chi-restraints excluded: chain b residue 62 ASN Chi-restraints excluded: chain b residue 160 SER Chi-restraints excluded: chain c residue 40 GLU Chi-restraints excluded: chain c residue 72 SER Chi-restraints excluded: chain c residue 92 LEU Chi-restraints excluded: chain c residue 106 GLU Chi-restraints excluded: chain c residue 162 ASP Chi-restraints excluded: chain c residue 175 ASP Chi-restraints excluded: chain c residue 182 LYS Chi-restraints excluded: chain c residue 233 ASP Chi-restraints excluded: chain c residue 253 LEU Chi-restraints excluded: chain c residue 257 LYS Chi-restraints excluded: chain d residue 162 ASP Chi-restraints excluded: chain d residue 182 LYS Chi-restraints excluded: chain d residue 253 LEU Chi-restraints excluded: chain e residue 162 ASP Chi-restraints excluded: chain e residue 182 LYS Chi-restraints excluded: chain e residue 253 LEU Chi-restraints excluded: chain f residue 62 ASN Chi-restraints excluded: chain f residue 72 SER Chi-restraints excluded: chain f residue 162 ASP Chi-restraints excluded: chain f residue 233 ASP Chi-restraints excluded: chain f residue 253 LEU Chi-restraints excluded: chain g residue 72 SER Chi-restraints excluded: chain g residue 136 GLU Chi-restraints excluded: chain g residue 144 THR Chi-restraints excluded: chain g residue 179 ASN Chi-restraints excluded: chain g residue 182 LYS Chi-restraints excluded: chain g residue 233 ASP Chi-restraints excluded: chain h residue 160 SER Chi-restraints excluded: chain i residue 40 GLU Chi-restraints excluded: chain i residue 72 SER Chi-restraints excluded: chain i residue 92 LEU Chi-restraints excluded: chain i residue 106 GLU Chi-restraints excluded: chain i residue 162 ASP Chi-restraints excluded: chain i residue 175 ASP Chi-restraints excluded: chain i residue 182 LYS Chi-restraints excluded: chain i residue 188 GLU Chi-restraints excluded: chain i residue 233 ASP Chi-restraints excluded: chain i residue 253 LEU Chi-restraints excluded: chain i residue 257 LYS Chi-restraints excluded: chain j residue 62 ASN Chi-restraints excluded: chain j residue 72 SER Chi-restraints excluded: chain j residue 162 ASP Chi-restraints excluded: chain j residue 233 ASP Chi-restraints excluded: chain j residue 253 LEU Chi-restraints excluded: chain k residue 72 SER Chi-restraints excluded: chain k residue 136 GLU Chi-restraints excluded: chain k residue 144 THR Chi-restraints excluded: chain k residue 179 ASN Chi-restraints excluded: chain k residue 182 LYS Chi-restraints excluded: chain k residue 233 ASP Chi-restraints excluded: chain l residue 160 SER Chi-restraints excluded: chain m residue 72 SER Chi-restraints excluded: chain m residue 92 LEU Chi-restraints excluded: chain m residue 106 GLU Chi-restraints excluded: chain m residue 162 ASP Chi-restraints excluded: chain m residue 175 ASP Chi-restraints excluded: chain m residue 182 LYS Chi-restraints excluded: chain m residue 188 GLU Chi-restraints excluded: chain m residue 233 ASP Chi-restraints excluded: chain m residue 253 LEU Chi-restraints excluded: chain m residue 257 LYS Chi-restraints excluded: chain n residue 162 ASP Chi-restraints excluded: chain n residue 182 LYS Chi-restraints excluded: chain n residue 253 LEU Chi-restraints excluded: chain o residue 72 SER Chi-restraints excluded: chain o residue 136 GLU Chi-restraints excluded: chain o residue 179 ASN Chi-restraints excluded: chain o residue 182 LYS Chi-restraints excluded: chain o residue 233 ASP Chi-restraints excluded: chain p residue 13 GLU Chi-restraints excluded: chain p residue 160 SER Chi-restraints excluded: chain q residue 40 GLU Chi-restraints excluded: chain q residue 72 SER Chi-restraints excluded: chain q residue 92 LEU Chi-restraints excluded: chain q residue 106 GLU Chi-restraints excluded: chain q residue 162 ASP Chi-restraints excluded: chain q residue 175 ASP Chi-restraints excluded: chain q residue 182 LYS Chi-restraints excluded: chain q residue 233 ASP Chi-restraints excluded: chain q residue 253 LEU Chi-restraints excluded: chain q residue 257 LYS Chi-restraints excluded: chain r residue 162 ASP Chi-restraints excluded: chain r residue 182 LYS Chi-restraints excluded: chain r residue 253 LEU Chi-restraints excluded: chain s residue 62 ASN Chi-restraints excluded: chain s residue 72 SER Chi-restraints excluded: chain s residue 162 ASP Chi-restraints excluded: chain s residue 233 ASP Chi-restraints excluded: chain s residue 253 LEU Chi-restraints excluded: chain s residue 257 LYS Chi-restraints excluded: chain t residue 160 SER Chi-restraints excluded: chain u residue 13 GLU Chi-restraints excluded: chain u residue 40 GLU Chi-restraints excluded: chain u residue 72 SER Chi-restraints excluded: chain u residue 92 LEU Chi-restraints excluded: chain u residue 106 GLU Chi-restraints excluded: chain u residue 162 ASP Chi-restraints excluded: chain u residue 175 ASP Chi-restraints excluded: chain u residue 182 LYS Chi-restraints excluded: chain u residue 233 ASP Chi-restraints excluded: chain u residue 253 LEU Chi-restraints excluded: chain u residue 257 LYS Chi-restraints excluded: chain v residue 162 ASP Chi-restraints excluded: chain v residue 182 LYS Chi-restraints excluded: chain v residue 253 LEU Chi-restraints excluded: chain w residue 62 ASN Chi-restraints excluded: chain w residue 72 SER Chi-restraints excluded: chain w residue 162 ASP Chi-restraints excluded: chain w residue 233 ASP Chi-restraints excluded: chain w residue 253 LEU Chi-restraints excluded: chain x residue 72 SER Chi-restraints excluded: chain x residue 136 GLU Chi-restraints excluded: chain x residue 144 THR Chi-restraints excluded: chain x residue 179 ASN Chi-restraints excluded: chain x residue 182 LYS Chi-restraints excluded: chain x residue 233 ASP Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1500 random chunks: chunk 1315 optimal weight: 7.9990 chunk 1385 optimal weight: 0.6980 chunk 1263 optimal weight: 0.0010 chunk 1347 optimal weight: 6.9990 chunk 1384 optimal weight: 3.9990 chunk 810 optimal weight: 10.0000 chunk 586 optimal weight: 0.5980 chunk 1057 optimal weight: 5.9990 chunk 413 optimal weight: 2.9990 chunk 1217 optimal weight: 0.9980 chunk 1274 optimal weight: 3.9990 overall best weight: 1.0588 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: W 21 ASN m 21 ASN q 21 ASN u 21 ASN Total number of N/Q/H flips: 4 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8045 moved from start: 0.1847 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.026 129900 Z= 0.141 Angle : 0.518 5.572 175440 Z= 0.283 Chirality : 0.043 0.141 19380 Planarity : 0.004 0.039 22320 Dihedral : 6.753 58.790 17868 Min Nonbonded Distance : 2.224 Molprobity Statistics. All-atom Clashscore : 3.54 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.81 % Favored : 97.19 % Rotamer: Outliers : 2.38 % Allowed : 19.57 % Favored : 78.05 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.03 (0.06), residues: 15360 helix: -0.51 (0.08), residues: 4080 sheet: 0.26 (0.12), residues: 1680 loop : -2.15 (0.05), residues: 9600 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.001 TRP E 45 HIS 0.002 0.001 HIS o 50 PHE 0.014 0.001 PHE p 3 TYR 0.007 0.001 TYR m 47 ARG 0.001 0.000 ARG d 6 *********************** 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 1310 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 327 poor density : 983 time to evaluate : 10.064 Fit side-chains REVERT: A 2 GLU cc_start: 0.7542 (OUTLIER) cc_final: 0.7010 (mt-10) REVERT: A 62 ASN cc_start: 0.7836 (OUTLIER) cc_final: 0.7550 (p0) REVERT: B 106 GLU cc_start: 0.6823 (OUTLIER) cc_final: 0.6215 (mm-30) REVERT: B 182 LYS cc_start: 0.6849 (OUTLIER) cc_final: 0.6479 (mptp) REVERT: B 257 LYS cc_start: 0.8034 (OUTLIER) cc_final: 0.7719 (tptp) REVERT: C 24 ARG cc_start: 0.8073 (ttm110) cc_final: 0.7781 (ttp-110) REVERT: D 62 ASN cc_start: 0.7843 (OUTLIER) cc_final: 0.7529 (p0) REVERT: D 257 LYS cc_start: 0.7871 (tppt) cc_final: 0.7568 (tptp) REVERT: E 136 GLU cc_start: 0.6720 (OUTLIER) cc_final: 0.6171 (pm20) REVERT: E 179 ASN cc_start: 0.7983 (OUTLIER) cc_final: 0.7773 (m110) REVERT: F 136 GLU cc_start: 0.6719 (OUTLIER) cc_final: 0.6169 (pm20) REVERT: F 179 ASN cc_start: 0.7992 (m-40) cc_final: 0.7782 (m110) REVERT: G 2 GLU cc_start: 0.7543 (OUTLIER) cc_final: 0.7010 (mt-10) REVERT: G 62 ASN cc_start: 0.7834 (OUTLIER) cc_final: 0.7554 (p0) REVERT: H 106 GLU cc_start: 0.6824 (OUTLIER) cc_final: 0.6216 (mm-30) REVERT: H 182 LYS cc_start: 0.6855 (OUTLIER) cc_final: 0.6485 (mptp) REVERT: H 257 LYS cc_start: 0.8033 (OUTLIER) cc_final: 0.7720 (tptp) REVERT: I 24 ARG cc_start: 0.8072 (ttm110) cc_final: 0.7780 (ttp-110) REVERT: J 62 ASN cc_start: 0.7869 (OUTLIER) cc_final: 0.7553 (p0) REVERT: J 257 LYS cc_start: 0.7854 (tppt) cc_final: 0.7555 (tptp) REVERT: K 62 ASN cc_start: 0.7836 (OUTLIER) cc_final: 0.7520 (p0) REVERT: K 257 LYS cc_start: 0.7855 (tppt) cc_final: 0.7556 (tptp) REVERT: L 136 GLU cc_start: 0.6730 (OUTLIER) cc_final: 0.6175 (pm20) REVERT: L 179 ASN cc_start: 0.7979 (OUTLIER) cc_final: 0.7769 (m110) REVERT: M 2 GLU cc_start: 0.7544 (OUTLIER) cc_final: 0.7007 (mt-10) REVERT: M 62 ASN cc_start: 0.7851 (OUTLIER) cc_final: 0.7556 (p0) REVERT: N 106 GLU cc_start: 0.6825 (OUTLIER) cc_final: 0.6217 (mm-30) REVERT: N 182 LYS cc_start: 0.6842 (OUTLIER) cc_final: 0.6476 (mptp) REVERT: N 188 GLU cc_start: 0.7129 (OUTLIER) cc_final: 0.6683 (mt-10) REVERT: N 257 LYS cc_start: 0.8030 (OUTLIER) cc_final: 0.7716 (tptp) REVERT: O 24 ARG cc_start: 0.8114 (ttm110) cc_final: 0.7827 (ttp-110) REVERT: P 24 ARG cc_start: 0.8115 (ttm110) cc_final: 0.7828 (ttp-110) REVERT: Q 62 ASN cc_start: 0.7843 (OUTLIER) cc_final: 0.7525 (p0) REVERT: Q 257 LYS cc_start: 0.7864 (tppt) cc_final: 0.7563 (tptp) REVERT: R 136 GLU cc_start: 0.6751 (OUTLIER) cc_final: 0.6184 (pm20) REVERT: R 179 ASN cc_start: 0.7976 (m-40) cc_final: 0.7763 (m110) REVERT: S 2 GLU cc_start: 0.7547 (OUTLIER) cc_final: 0.7009 (mt-10) REVERT: S 62 ASN cc_start: 0.7835 (OUTLIER) cc_final: 0.7550 (p0) REVERT: T 106 GLU cc_start: 0.6824 (OUTLIER) cc_final: 0.6216 (mm-30) REVERT: T 182 LYS cc_start: 0.6848 (OUTLIER) cc_final: 0.6481 (mptp) REVERT: T 188 GLU cc_start: 0.7131 (OUTLIER) cc_final: 0.6685 (mt-10) REVERT: T 257 LYS cc_start: 0.8028 (OUTLIER) cc_final: 0.7715 (tptp) REVERT: U 136 GLU cc_start: 0.6722 (OUTLIER) cc_final: 0.6168 (pm20) REVERT: U 179 ASN cc_start: 0.7970 (OUTLIER) cc_final: 0.7761 (m110) REVERT: V 62 ASN cc_start: 0.7833 (OUTLIER) cc_final: 0.7550 (p0) REVERT: W 106 GLU cc_start: 0.6830 (OUTLIER) cc_final: 0.6217 (mm-30) REVERT: W 182 LYS cc_start: 0.6846 (OUTLIER) cc_final: 0.6482 (mptp) REVERT: W 185 LYS cc_start: 0.7475 (mtpt) cc_final: 0.6898 (mttm) REVERT: W 257 LYS cc_start: 0.8032 (OUTLIER) cc_final: 0.7720 (tptp) REVERT: X 24 ARG cc_start: 0.8076 (ttm110) cc_final: 0.7785 (ttp-110) REVERT: Y 62 ASN cc_start: 0.7851 (OUTLIER) cc_final: 0.7550 (p0) REVERT: Y 257 LYS cc_start: 0.7860 (tppt) cc_final: 0.7558 (tptp) REVERT: Z 62 ASN cc_start: 0.7845 (OUTLIER) cc_final: 0.7557 (p0) REVERT: 0 106 GLU cc_start: 0.6823 (OUTLIER) cc_final: 0.6216 (mm-30) REVERT: 0 182 LYS cc_start: 0.6844 (OUTLIER) cc_final: 0.6481 (mptp) REVERT: 0 185 LYS cc_start: 0.7472 (mtpt) cc_final: 0.6899 (mttm) REVERT: 0 257 LYS cc_start: 0.8032 (OUTLIER) cc_final: 0.7716 (tptp) REVERT: 1 24 ARG cc_start: 0.8074 (ttm110) cc_final: 0.7782 (ttp-110) REVERT: 2 62 ASN cc_start: 0.7851 (OUTLIER) cc_final: 0.7548 (p0) REVERT: 2 257 LYS cc_start: 0.7851 (tppt) cc_final: 0.7552 (tptp) REVERT: 3 136 GLU cc_start: 0.6727 (OUTLIER) cc_final: 0.6170 (pm20) REVERT: 3 179 ASN cc_start: 0.7981 (m-40) cc_final: 0.7767 (m110) REVERT: 4 24 ARG cc_start: 0.8110 (ttm110) cc_final: 0.7823 (ttp-110) REVERT: 5 62 ASN cc_start: 0.7846 (OUTLIER) cc_final: 0.7534 (p0) REVERT: 5 257 LYS cc_start: 0.7856 (tppt) cc_final: 0.7556 (tptp) REVERT: 6 136 GLU cc_start: 0.6718 (OUTLIER) cc_final: 0.6164 (pm20) REVERT: 6 179 ASN cc_start: 0.7990 (m-40) cc_final: 0.7777 (m110) REVERT: 7 2 GLU cc_start: 0.7542 (OUTLIER) cc_final: 0.7010 (mt-10) REVERT: 7 62 ASN cc_start: 0.7844 (OUTLIER) cc_final: 0.7555 (p0) REVERT: 8 106 GLU cc_start: 0.6824 (OUTLIER) cc_final: 0.6215 (mm-30) REVERT: 8 182 LYS cc_start: 0.6848 (OUTLIER) cc_final: 0.6479 (mptp) REVERT: 8 257 LYS cc_start: 0.8033 (OUTLIER) cc_final: 0.7720 (tptp) REVERT: 9 62 ASN cc_start: 0.7842 (OUTLIER) cc_final: 0.7530 (p0) REVERT: 9 257 LYS cc_start: 0.7855 (tppt) cc_final: 0.7554 (tptp) REVERT: a 136 GLU cc_start: 0.6724 (OUTLIER) cc_final: 0.6171 (pm20) REVERT: a 179 ASN cc_start: 0.7983 (OUTLIER) cc_final: 0.7773 (m110) REVERT: b 62 ASN cc_start: 0.7846 (OUTLIER) cc_final: 0.7556 (p0) REVERT: c 106 GLU cc_start: 0.6834 (OUTLIER) cc_final: 0.6224 (mm-30) REVERT: c 182 LYS cc_start: 0.6849 (OUTLIER) cc_final: 0.6481 (mptp) REVERT: c 257 LYS cc_start: 0.8033 (OUTLIER) cc_final: 0.7722 (tptp) REVERT: d 24 ARG cc_start: 0.8077 (ttm110) cc_final: 0.7786 (ttp-110) REVERT: e 24 ARG cc_start: 0.8074 (ttm110) cc_final: 0.7785 (ttp-110) REVERT: f 62 ASN cc_start: 0.7839 (OUTLIER) cc_final: 0.7531 (p0) REVERT: f 257 LYS cc_start: 0.7853 (tppt) cc_final: 0.7551 (tptp) REVERT: g 136 GLU cc_start: 0.6726 (OUTLIER) cc_final: 0.6175 (pm20) REVERT: g 179 ASN cc_start: 0.7972 (m-40) cc_final: 0.7762 (m110) REVERT: h 2 GLU cc_start: 0.7543 (OUTLIER) cc_final: 0.7013 (mt-10) REVERT: h 62 ASN cc_start: 0.7840 (OUTLIER) cc_final: 0.7543 (p0) REVERT: i 182 LYS cc_start: 0.6848 (OUTLIER) cc_final: 0.6480 (mptp) REVERT: i 188 GLU cc_start: 0.7135 (OUTLIER) cc_final: 0.6691 (mt-10) REVERT: i 257 LYS cc_start: 0.8037 (OUTLIER) cc_final: 0.7720 (tptp) REVERT: j 62 ASN cc_start: 0.7859 (OUTLIER) cc_final: 0.7556 (p0) REVERT: j 257 LYS cc_start: 0.7855 (tppt) cc_final: 0.7555 (tptp) REVERT: k 136 GLU cc_start: 0.6723 (OUTLIER) cc_final: 0.6170 (pm20) REVERT: k 179 ASN cc_start: 0.7991 (m-40) cc_final: 0.7777 (m110) REVERT: l 2 GLU cc_start: 0.7541 (OUTLIER) cc_final: 0.7011 (mt-10) REVERT: l 62 ASN cc_start: 0.7830 (OUTLIER) cc_final: 0.7549 (p0) REVERT: m 106 GLU cc_start: 0.6831 (OUTLIER) cc_final: 0.6219 (mm-30) REVERT: m 182 LYS cc_start: 0.6848 (OUTLIER) cc_final: 0.6482 (mptp) REVERT: m 257 LYS cc_start: 0.8030 (OUTLIER) cc_final: 0.7718 (tptp) REVERT: n 24 ARG cc_start: 0.8074 (ttm110) cc_final: 0.7783 (ttp-110) REVERT: o 136 GLU cc_start: 0.6727 (OUTLIER) cc_final: 0.6179 (pm20) REVERT: o 179 ASN cc_start: 0.7986 (OUTLIER) cc_final: 0.7776 (m110) REVERT: p 2 GLU cc_start: 0.7545 (OUTLIER) cc_final: 0.7012 (mt-10) REVERT: p 62 ASN cc_start: 0.7846 (OUTLIER) cc_final: 0.7553 (p0) REVERT: q 106 GLU cc_start: 0.6831 (OUTLIER) cc_final: 0.6220 (mm-30) REVERT: q 182 LYS cc_start: 0.6851 (OUTLIER) cc_final: 0.6484 (mptp) REVERT: q 257 LYS cc_start: 0.8035 (OUTLIER) cc_final: 0.7727 (tptp) REVERT: r 24 ARG cc_start: 0.8076 (ttm110) cc_final: 0.7786 (ttp-110) REVERT: s 62 ASN cc_start: 0.7860 (OUTLIER) cc_final: 0.7550 (p0) REVERT: s 257 LYS cc_start: 0.7828 (OUTLIER) cc_final: 0.7622 (tppt) REVERT: t 2 GLU cc_start: 0.7541 (OUTLIER) cc_final: 0.7012 (mt-10) REVERT: t 62 ASN cc_start: 0.7829 (OUTLIER) cc_final: 0.7545 (p0) REVERT: u 106 GLU cc_start: 0.6831 (OUTLIER) cc_final: 0.6217 (mm-30) REVERT: u 182 LYS cc_start: 0.6851 (OUTLIER) cc_final: 0.6480 (mptp) REVERT: u 257 LYS cc_start: 0.8030 (OUTLIER) cc_final: 0.7718 (tptp) REVERT: v 24 ARG cc_start: 0.8117 (ttm110) cc_final: 0.7833 (ttp-110) REVERT: w 62 ASN cc_start: 0.7856 (OUTLIER) cc_final: 0.7540 (p0) REVERT: w 257 LYS cc_start: 0.7859 (tppt) cc_final: 0.7558 (tptp) REVERT: x 136 GLU cc_start: 0.6723 (OUTLIER) cc_final: 0.6165 (pm20) REVERT: x 179 ASN cc_start: 0.7989 (m-40) cc_final: 0.7777 (m110) outliers start: 327 outliers final: 136 residues processed: 1272 average time/residue: 2.2070 time to fit residues: 3766.5627 Evaluate side-chains 1113 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 225 poor density : 888 time to evaluate : 10.909 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 2 GLU Chi-restraints excluded: chain A residue 62 ASN Chi-restraints excluded: chain A residue 160 SER Chi-restraints excluded: chain B residue 72 SER Chi-restraints excluded: chain B residue 92 LEU Chi-restraints excluded: chain B residue 106 GLU Chi-restraints excluded: chain B residue 175 ASP Chi-restraints excluded: chain B residue 182 LYS Chi-restraints excluded: chain B residue 233 ASP Chi-restraints excluded: chain B residue 253 LEU Chi-restraints excluded: chain B residue 257 LYS Chi-restraints excluded: chain C residue 182 LYS Chi-restraints excluded: chain D residue 62 ASN Chi-restraints excluded: chain D residue 72 SER Chi-restraints excluded: chain D residue 233 ASP Chi-restraints excluded: chain D residue 253 LEU Chi-restraints excluded: chain E residue 136 GLU Chi-restraints excluded: chain E residue 144 THR Chi-restraints excluded: chain E residue 179 ASN Chi-restraints excluded: chain E residue 233 ASP Chi-restraints excluded: chain F residue 136 GLU Chi-restraints excluded: chain F residue 144 THR Chi-restraints excluded: chain F residue 233 ASP Chi-restraints excluded: chain G residue 2 GLU Chi-restraints excluded: chain G residue 62 ASN Chi-restraints excluded: chain G residue 160 SER Chi-restraints excluded: chain H residue 72 SER Chi-restraints excluded: chain H residue 106 GLU Chi-restraints excluded: chain H residue 175 ASP Chi-restraints excluded: chain H residue 182 LYS Chi-restraints excluded: chain H residue 233 ASP Chi-restraints excluded: chain H residue 253 LEU Chi-restraints excluded: chain H residue 257 LYS Chi-restraints excluded: chain I residue 182 LYS Chi-restraints excluded: chain J residue 62 ASN Chi-restraints excluded: chain J residue 72 SER Chi-restraints excluded: chain J residue 233 ASP Chi-restraints excluded: chain J residue 253 LEU Chi-restraints excluded: chain K residue 62 ASN Chi-restraints excluded: chain K residue 72 SER Chi-restraints excluded: chain K residue 233 ASP Chi-restraints excluded: chain K residue 253 LEU Chi-restraints excluded: chain L residue 136 GLU Chi-restraints excluded: chain L residue 144 THR Chi-restraints excluded: chain L residue 179 ASN Chi-restraints excluded: chain L residue 233 ASP Chi-restraints excluded: chain M residue 2 GLU Chi-restraints excluded: chain M residue 62 ASN Chi-restraints excluded: chain M residue 160 SER Chi-restraints excluded: chain N residue 72 SER Chi-restraints excluded: chain N residue 106 GLU Chi-restraints excluded: chain N residue 175 ASP Chi-restraints excluded: chain N residue 182 LYS Chi-restraints excluded: chain N residue 188 GLU Chi-restraints excluded: chain N residue 233 ASP Chi-restraints excluded: chain N residue 253 LEU Chi-restraints excluded: chain N residue 257 LYS Chi-restraints excluded: chain O residue 182 LYS Chi-restraints excluded: chain P residue 182 LYS Chi-restraints excluded: chain Q residue 62 ASN Chi-restraints excluded: chain Q residue 72 SER Chi-restraints excluded: chain Q residue 233 ASP Chi-restraints excluded: chain Q residue 253 LEU Chi-restraints excluded: chain R residue 136 GLU Chi-restraints excluded: chain R residue 144 THR Chi-restraints excluded: chain R residue 233 ASP Chi-restraints excluded: chain S residue 2 GLU Chi-restraints excluded: chain S residue 62 ASN Chi-restraints excluded: chain S residue 160 SER Chi-restraints excluded: chain T residue 72 SER Chi-restraints excluded: chain T residue 92 LEU Chi-restraints excluded: chain T residue 106 GLU Chi-restraints excluded: chain T residue 175 ASP Chi-restraints excluded: chain T residue 182 LYS Chi-restraints excluded: chain T residue 188 GLU Chi-restraints excluded: chain T residue 233 ASP Chi-restraints excluded: chain T residue 253 LEU Chi-restraints excluded: chain T residue 257 LYS Chi-restraints excluded: chain U residue 136 GLU Chi-restraints excluded: chain U residue 144 THR Chi-restraints excluded: chain U residue 179 ASN Chi-restraints excluded: chain U residue 233 ASP Chi-restraints excluded: chain V residue 62 ASN Chi-restraints excluded: chain V residue 160 SER Chi-restraints excluded: chain W residue 72 SER Chi-restraints excluded: chain W residue 106 GLU Chi-restraints excluded: chain W residue 175 ASP Chi-restraints excluded: chain W residue 182 LYS Chi-restraints excluded: chain W residue 233 ASP Chi-restraints excluded: chain W residue 253 LEU Chi-restraints excluded: chain W residue 257 LYS Chi-restraints excluded: chain X residue 182 LYS Chi-restraints excluded: chain Y residue 62 ASN Chi-restraints excluded: chain Y residue 72 SER Chi-restraints excluded: chain Y residue 162 ASP Chi-restraints excluded: chain Y residue 233 ASP Chi-restraints excluded: chain Y residue 253 LEU Chi-restraints excluded: chain Z residue 62 ASN Chi-restraints excluded: chain Z residue 160 SER Chi-restraints excluded: chain 0 residue 72 SER Chi-restraints excluded: chain 0 residue 106 GLU Chi-restraints excluded: chain 0 residue 175 ASP Chi-restraints excluded: chain 0 residue 182 LYS Chi-restraints excluded: chain 0 residue 233 ASP Chi-restraints excluded: chain 0 residue 253 LEU Chi-restraints excluded: chain 0 residue 257 LYS Chi-restraints excluded: chain 1 residue 182 LYS Chi-restraints excluded: chain 2 residue 62 ASN Chi-restraints excluded: chain 2 residue 72 SER Chi-restraints excluded: chain 2 residue 233 ASP Chi-restraints excluded: chain 2 residue 253 LEU Chi-restraints excluded: chain 3 residue 136 GLU Chi-restraints excluded: chain 3 residue 144 THR Chi-restraints excluded: chain 3 residue 233 ASP Chi-restraints excluded: chain 4 residue 182 LYS Chi-restraints excluded: chain 5 residue 62 ASN Chi-restraints excluded: chain 5 residue 72 SER Chi-restraints excluded: chain 5 residue 233 ASP Chi-restraints excluded: chain 5 residue 253 LEU Chi-restraints excluded: chain 6 residue 136 GLU Chi-restraints excluded: chain 6 residue 144 THR Chi-restraints excluded: chain 6 residue 233 ASP Chi-restraints excluded: chain 7 residue 2 GLU Chi-restraints excluded: chain 7 residue 62 ASN Chi-restraints excluded: chain 7 residue 160 SER Chi-restraints excluded: chain 8 residue 72 SER Chi-restraints excluded: chain 8 residue 92 LEU Chi-restraints excluded: chain 8 residue 106 GLU Chi-restraints excluded: chain 8 residue 175 ASP Chi-restraints excluded: chain 8 residue 182 LYS Chi-restraints excluded: chain 8 residue 233 ASP Chi-restraints excluded: chain 8 residue 253 LEU Chi-restraints excluded: chain 8 residue 257 LYS Chi-restraints excluded: chain 9 residue 62 ASN Chi-restraints excluded: chain 9 residue 72 SER Chi-restraints excluded: chain 9 residue 233 ASP Chi-restraints excluded: chain 9 residue 253 LEU Chi-restraints excluded: chain a residue 136 GLU Chi-restraints excluded: chain a residue 144 THR Chi-restraints excluded: chain a residue 179 ASN Chi-restraints excluded: chain a residue 233 ASP Chi-restraints excluded: chain b residue 62 ASN Chi-restraints excluded: chain b residue 160 SER Chi-restraints excluded: chain c residue 72 SER Chi-restraints excluded: chain c residue 106 GLU Chi-restraints excluded: chain c residue 175 ASP Chi-restraints excluded: chain c residue 182 LYS Chi-restraints excluded: chain c residue 233 ASP Chi-restraints excluded: chain c residue 253 LEU Chi-restraints excluded: chain c residue 257 LYS Chi-restraints excluded: chain e residue 182 LYS Chi-restraints excluded: chain f residue 62 ASN Chi-restraints excluded: chain f residue 72 SER Chi-restraints excluded: chain f residue 162 ASP Chi-restraints excluded: chain f residue 233 ASP Chi-restraints excluded: chain f residue 253 LEU Chi-restraints excluded: chain g residue 136 GLU Chi-restraints excluded: chain g residue 144 THR Chi-restraints excluded: chain g residue 233 ASP Chi-restraints excluded: chain h residue 2 GLU Chi-restraints excluded: chain h residue 62 ASN Chi-restraints excluded: chain h residue 160 SER Chi-restraints excluded: chain i residue 72 SER Chi-restraints excluded: chain i residue 92 LEU Chi-restraints excluded: chain i residue 175 ASP Chi-restraints excluded: chain i residue 182 LYS Chi-restraints excluded: chain i residue 188 GLU Chi-restraints excluded: chain i residue 233 ASP Chi-restraints excluded: chain i residue 253 LEU Chi-restraints excluded: chain i residue 257 LYS Chi-restraints excluded: chain j residue 62 ASN Chi-restraints excluded: chain j residue 72 SER Chi-restraints excluded: chain j residue 233 ASP Chi-restraints excluded: chain j residue 253 LEU Chi-restraints excluded: chain k residue 136 GLU Chi-restraints excluded: chain k residue 144 THR Chi-restraints excluded: chain k residue 233 ASP Chi-restraints excluded: chain l residue 2 GLU Chi-restraints excluded: chain l residue 62 ASN Chi-restraints excluded: chain l residue 160 SER Chi-restraints excluded: chain m residue 72 SER Chi-restraints excluded: chain m residue 106 GLU Chi-restraints excluded: chain m residue 175 ASP Chi-restraints excluded: chain m residue 182 LYS Chi-restraints excluded: chain m residue 233 ASP Chi-restraints excluded: chain m residue 253 LEU Chi-restraints excluded: chain m residue 257 LYS Chi-restraints excluded: chain n residue 182 LYS Chi-restraints excluded: chain o residue 136 GLU Chi-restraints excluded: chain o residue 144 THR Chi-restraints excluded: chain o residue 179 ASN Chi-restraints excluded: chain o residue 233 ASP Chi-restraints excluded: chain p residue 2 GLU Chi-restraints excluded: chain p residue 62 ASN Chi-restraints excluded: chain p residue 160 SER Chi-restraints excluded: chain q residue 72 SER Chi-restraints excluded: chain q residue 106 GLU Chi-restraints excluded: chain q residue 175 ASP Chi-restraints excluded: chain q residue 182 LYS Chi-restraints excluded: chain q residue 233 ASP Chi-restraints excluded: chain q residue 253 LEU Chi-restraints excluded: chain q residue 257 LYS Chi-restraints excluded: chain r residue 182 LYS Chi-restraints excluded: chain s residue 62 ASN Chi-restraints excluded: chain s residue 72 SER Chi-restraints excluded: chain s residue 233 ASP Chi-restraints excluded: chain s residue 253 LEU Chi-restraints excluded: chain s residue 257 LYS Chi-restraints excluded: chain t residue 2 GLU Chi-restraints excluded: chain t residue 62 ASN Chi-restraints excluded: chain t residue 160 SER Chi-restraints excluded: chain u residue 106 GLU Chi-restraints excluded: chain u residue 175 ASP Chi-restraints excluded: chain u residue 182 LYS Chi-restraints excluded: chain u residue 233 ASP Chi-restraints excluded: chain u residue 253 LEU Chi-restraints excluded: chain u residue 257 LYS Chi-restraints excluded: chain v residue 182 LYS Chi-restraints excluded: chain w residue 62 ASN Chi-restraints excluded: chain w residue 72 SER Chi-restraints excluded: chain w residue 233 ASP Chi-restraints excluded: chain w residue 253 LEU Chi-restraints excluded: chain x residue 136 GLU Chi-restraints excluded: chain x residue 144 THR Chi-restraints excluded: chain x residue 233 ASP Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1500 random chunks: chunk 1342 optimal weight: 10.0000 chunk 884 optimal weight: 4.9990 chunk 1424 optimal weight: 2.9990 chunk 869 optimal weight: 10.0000 chunk 675 optimal weight: 10.0000 chunk 990 optimal weight: 9.9990 chunk 1494 optimal weight: 7.9990 chunk 1375 optimal weight: 8.9990 chunk 1189 optimal weight: 10.0000 chunk 123 optimal weight: 10.0000 chunk 919 optimal weight: 8.9990 overall best weight: 6.7990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 21 ASN F 173 ASN H 21 ASN N 21 ASN R 173 ASN T 21 ASN W 21 ASN 0 21 ASN 3 173 ASN 8 21 ASN a 173 ASN c 21 ASN g 173 ASN i 21 ASN k 173 ASN m 21 ASN o 173 ASN q 21 ASN u 21 ASN Total number of N/Q/H flips: 19 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8241 moved from start: 0.1379 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.007 0.035 129900 Z= 0.419 Angle : 0.959 8.431 175440 Z= 0.508 Chirality : 0.054 0.175 19380 Planarity : 0.006 0.050 22320 Dihedral : 7.656 58.272 17824 Min Nonbonded Distance : 2.254 Molprobity Statistics. All-atom Clashscore : 3.54 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.74 % Favored : 94.26 % Rotamer: Outliers : 2.37 % Allowed : 20.30 % Favored : 77.34 % 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: -2.42 (0.06), residues: 15360 helix: -1.07 (0.08), residues: 4020 sheet: -0.33 (0.14), residues: 1380 loop : -2.15 (0.05), residues: 9960 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.009 0.002 TRP o 45 HIS 0.006 0.003 HIS n 50 PHE 0.013 0.003 PHE D 238 TYR 0.011 0.002 TYR A 227 ARG 0.005 0.001 ARG f 79 ********************** 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 1249 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 325 poor density : 924 time to evaluate : 10.861 Fit side-chains REVERT: A 2 GLU cc_start: 0.7649 (OUTLIER) cc_final: 0.7121 (mt-10) REVERT: A 62 ASN cc_start: 0.8059 (OUTLIER) cc_final: 0.7691 (p0) REVERT: B 179 ASN cc_start: 0.8209 (m-40) cc_final: 0.7959 (m110) REVERT: B 257 LYS cc_start: 0.7960 (OUTLIER) cc_final: 0.7687 (tptp) REVERT: C 24 ARG cc_start: 0.8127 (ttm110) cc_final: 0.7833 (ttp-110) REVERT: D 62 ASN cc_start: 0.8082 (OUTLIER) cc_final: 0.7732 (p0) REVERT: E 136 GLU cc_start: 0.6858 (OUTLIER) cc_final: 0.6192 (pm20) REVERT: E 179 ASN cc_start: 0.8129 (OUTLIER) cc_final: 0.7861 (m-40) REVERT: F 136 GLU cc_start: 0.6861 (OUTLIER) cc_final: 0.6193 (pm20) REVERT: F 179 ASN cc_start: 0.8134 (OUTLIER) cc_final: 0.7863 (m-40) REVERT: G 2 GLU cc_start: 0.7653 (OUTLIER) cc_final: 0.7125 (mt-10) REVERT: G 62 ASN cc_start: 0.8056 (OUTLIER) cc_final: 0.7701 (p0) REVERT: G 182 LYS cc_start: 0.7151 (OUTLIER) cc_final: 0.6825 (ptpt) REVERT: H 179 ASN cc_start: 0.8209 (m-40) cc_final: 0.7959 (m110) REVERT: H 257 LYS cc_start: 0.7961 (OUTLIER) cc_final: 0.7687 (tptp) REVERT: I 24 ARG cc_start: 0.8125 (ttm110) cc_final: 0.7833 (ttp-110) REVERT: J 62 ASN cc_start: 0.8103 (OUTLIER) cc_final: 0.7759 (p0) REVERT: K 62 ASN cc_start: 0.8047 (OUTLIER) cc_final: 0.7710 (p0) REVERT: L 106 GLU cc_start: 0.6967 (OUTLIER) cc_final: 0.6729 (mm-30) REVERT: L 136 GLU cc_start: 0.6868 (OUTLIER) cc_final: 0.6198 (pm20) REVERT: L 179 ASN cc_start: 0.8126 (OUTLIER) cc_final: 0.7865 (m-40) REVERT: M 2 GLU cc_start: 0.7649 (OUTLIER) cc_final: 0.7116 (mt-10) REVERT: M 62 ASN cc_start: 0.8073 (OUTLIER) cc_final: 0.7698 (p0) REVERT: M 182 LYS cc_start: 0.7159 (OUTLIER) cc_final: 0.6829 (ptpt) REVERT: N 179 ASN cc_start: 0.8195 (m-40) cc_final: 0.7949 (m110) REVERT: N 188 GLU cc_start: 0.7389 (OUTLIER) cc_final: 0.6940 (mt-10) REVERT: N 257 LYS cc_start: 0.7949 (OUTLIER) cc_final: 0.7676 (tptp) REVERT: O 24 ARG cc_start: 0.8129 (ttm110) cc_final: 0.7836 (ttp-110) REVERT: P 24 ARG cc_start: 0.8127 (ttm110) cc_final: 0.7832 (ttp-110) REVERT: Q 62 ASN cc_start: 0.8054 (OUTLIER) cc_final: 0.7713 (p0) REVERT: R 106 GLU cc_start: 0.6966 (OUTLIER) cc_final: 0.6729 (mm-30) REVERT: R 136 GLU cc_start: 0.6866 (OUTLIER) cc_final: 0.6196 (pm20) REVERT: R 179 ASN cc_start: 0.8130 (OUTLIER) cc_final: 0.7861 (m-40) REVERT: S 2 GLU cc_start: 0.7653 (OUTLIER) cc_final: 0.7120 (mt-10) REVERT: S 62 ASN cc_start: 0.8061 (OUTLIER) cc_final: 0.7698 (p0) REVERT: S 182 LYS cc_start: 0.7154 (OUTLIER) cc_final: 0.6826 (ptpt) REVERT: T 179 ASN cc_start: 0.8213 (m-40) cc_final: 0.7964 (m110) REVERT: T 188 GLU cc_start: 0.7392 (OUTLIER) cc_final: 0.6942 (mt-10) REVERT: T 257 LYS cc_start: 0.7948 (OUTLIER) cc_final: 0.7675 (tptp) REVERT: U 136 GLU cc_start: 0.6858 (OUTLIER) cc_final: 0.6193 (pm20) REVERT: U 179 ASN cc_start: 0.8125 (OUTLIER) cc_final: 0.7861 (m-40) REVERT: V 62 ASN cc_start: 0.8061 (OUTLIER) cc_final: 0.7692 (p0) REVERT: V 182 LYS cc_start: 0.7152 (OUTLIER) cc_final: 0.6828 (ptpt) REVERT: W 179 ASN cc_start: 0.8225 (m-40) cc_final: 0.7975 (m110) REVERT: W 257 LYS cc_start: 0.7951 (OUTLIER) cc_final: 0.7676 (tptp) REVERT: X 24 ARG cc_start: 0.8129 (ttm110) cc_final: 0.7837 (ttp-110) REVERT: Y 62 ASN cc_start: 0.8028 (OUTLIER) cc_final: 0.7707 (p0) REVERT: Z 62 ASN cc_start: 0.8071 (OUTLIER) cc_final: 0.7697 (p0) REVERT: Z 182 LYS cc_start: 0.7156 (OUTLIER) cc_final: 0.6831 (ptpt) REVERT: 0 179 ASN cc_start: 0.8210 (m-40) cc_final: 0.7961 (m110) REVERT: 0 257 LYS cc_start: 0.7949 (OUTLIER) cc_final: 0.7674 (tptp) REVERT: 1 24 ARG cc_start: 0.8129 (ttm110) cc_final: 0.7834 (ttp-110) REVERT: 2 62 ASN cc_start: 0.8029 (OUTLIER) cc_final: 0.7704 (p0) REVERT: 3 136 GLU cc_start: 0.6867 (OUTLIER) cc_final: 0.6196 (pm20) REVERT: 3 179 ASN cc_start: 0.8133 (OUTLIER) cc_final: 0.7862 (m-40) REVERT: 4 24 ARG cc_start: 0.8125 (ttm110) cc_final: 0.7833 (ttp-110) REVERT: 5 62 ASN cc_start: 0.8088 (OUTLIER) cc_final: 0.7745 (p0) REVERT: 6 136 GLU cc_start: 0.6860 (OUTLIER) cc_final: 0.6190 (pm20) REVERT: 6 179 ASN cc_start: 0.8129 (OUTLIER) cc_final: 0.7857 (m-40) REVERT: 7 2 GLU cc_start: 0.7649 (OUTLIER) cc_final: 0.7121 (mt-10) REVERT: 7 62 ASN cc_start: 0.8066 (OUTLIER) cc_final: 0.7692 (p0) REVERT: 7 182 LYS cc_start: 0.7150 (OUTLIER) cc_final: 0.6825 (ptpt) REVERT: 8 179 ASN cc_start: 0.8193 (m-40) cc_final: 0.7946 (m110) REVERT: 8 257 LYS cc_start: 0.7961 (OUTLIER) cc_final: 0.7688 (tptp) REVERT: 9 62 ASN cc_start: 0.8087 (OUTLIER) cc_final: 0.7744 (p0) REVERT: a 136 GLU cc_start: 0.6865 (OUTLIER) cc_final: 0.6195 (pm20) REVERT: a 179 ASN cc_start: 0.8128 (OUTLIER) cc_final: 0.7864 (m-40) REVERT: b 2 GLU cc_start: 0.7649 (OUTLIER) cc_final: 0.7121 (mt-10) REVERT: b 62 ASN cc_start: 0.8065 (OUTLIER) cc_final: 0.7695 (p0) REVERT: c 179 ASN cc_start: 0.8211 (m-40) cc_final: 0.7960 (m110) REVERT: c 257 LYS cc_start: 0.7945 (OUTLIER) cc_final: 0.7674 (tptp) REVERT: d 24 ARG cc_start: 0.8131 (ttm110) cc_final: 0.7837 (ttp-110) REVERT: e 24 ARG cc_start: 0.8128 (ttm110) cc_final: 0.7837 (ttp-110) REVERT: f 62 ASN cc_start: 0.8054 (OUTLIER) cc_final: 0.7721 (p0) REVERT: g 136 GLU cc_start: 0.6869 (OUTLIER) cc_final: 0.6197 (pm20) REVERT: g 179 ASN cc_start: 0.8130 (OUTLIER) cc_final: 0.7860 (m-40) REVERT: h 2 GLU cc_start: 0.7653 (OUTLIER) cc_final: 0.7124 (mt-10) REVERT: h 62 ASN cc_start: 0.8058 (OUTLIER) cc_final: 0.7679 (p0) REVERT: i 179 ASN cc_start: 0.8213 (m-40) cc_final: 0.7963 (m110) REVERT: i 188 GLU cc_start: 0.7395 (OUTLIER) cc_final: 0.6945 (mt-10) REVERT: i 257 LYS cc_start: 0.7948 (OUTLIER) cc_final: 0.7675 (tptp) REVERT: j 62 ASN cc_start: 0.8034 (OUTLIER) cc_final: 0.7711 (p0) REVERT: k 106 GLU cc_start: 0.6962 (OUTLIER) cc_final: 0.6721 (mm-30) REVERT: k 136 GLU cc_start: 0.6877 (OUTLIER) cc_final: 0.6211 (pm20) REVERT: k 179 ASN cc_start: 0.8133 (OUTLIER) cc_final: 0.7860 (m-40) REVERT: l 2 GLU cc_start: 0.7653 (OUTLIER) cc_final: 0.7124 (mt-10) REVERT: l 62 ASN cc_start: 0.8059 (OUTLIER) cc_final: 0.7694 (p0) REVERT: l 182 LYS cc_start: 0.7147 (OUTLIER) cc_final: 0.6826 (ptpt) REVERT: m 179 ASN cc_start: 0.8210 (m-40) cc_final: 0.7962 (m110) REVERT: m 188 GLU cc_start: 0.7390 (OUTLIER) cc_final: 0.6948 (mt-10) REVERT: m 257 LYS cc_start: 0.7946 (OUTLIER) cc_final: 0.7674 (tptp) REVERT: n 24 ARG cc_start: 0.8129 (ttm110) cc_final: 0.7834 (ttp-110) REVERT: o 136 GLU cc_start: 0.6869 (OUTLIER) cc_final: 0.6202 (pm20) REVERT: o 179 ASN cc_start: 0.8125 (OUTLIER) cc_final: 0.7863 (m-40) REVERT: p 2 GLU cc_start: 0.7647 (OUTLIER) cc_final: 0.7121 (mt-10) REVERT: p 62 ASN cc_start: 0.8066 (OUTLIER) cc_final: 0.7704 (p0) REVERT: p 182 LYS cc_start: 0.7155 (OUTLIER) cc_final: 0.6828 (ptpt) REVERT: q 179 ASN cc_start: 0.8216 (m-40) cc_final: 0.7966 (m110) REVERT: q 257 LYS cc_start: 0.7993 (OUTLIER) cc_final: 0.7739 (tptp) REVERT: r 24 ARG cc_start: 0.8132 (ttm110) cc_final: 0.7838 (ttp-110) REVERT: s 62 ASN cc_start: 0.8095 (OUTLIER) cc_final: 0.7752 (p0) REVERT: s 257 LYS cc_start: 0.8039 (OUTLIER) cc_final: 0.7712 (tptp) REVERT: t 2 GLU cc_start: 0.7651 (OUTLIER) cc_final: 0.7123 (mt-10) REVERT: t 62 ASN cc_start: 0.8059 (OUTLIER) cc_final: 0.7700 (p0) REVERT: u 179 ASN cc_start: 0.8197 (m-40) cc_final: 0.7951 (m110) REVERT: u 257 LYS cc_start: 0.7948 (OUTLIER) cc_final: 0.7675 (tptp) REVERT: v 24 ARG cc_start: 0.8130 (ttm110) cc_final: 0.7835 (ttp-110) REVERT: w 62 ASN cc_start: 0.8094 (OUTLIER) cc_final: 0.7748 (p0) REVERT: x 106 GLU cc_start: 0.6963 (OUTLIER) cc_final: 0.6723 (mm-30) REVERT: x 136 GLU cc_start: 0.6865 (OUTLIER) cc_final: 0.6197 (pm20) REVERT: x 179 ASN cc_start: 0.8133 (OUTLIER) cc_final: 0.7864 (m-40) outliers start: 325 outliers final: 150 residues processed: 1174 average time/residue: 2.3149 time to fit residues: 3652.2669 Evaluate side-chains 1139 residues out of total 13740 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 237 poor density : 902 time to evaluate : 10.993 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 2 GLU Chi-restraints excluded: chain A residue 62 ASN Chi-restraints excluded: chain A residue 160 SER Chi-restraints excluded: chain B residue 72 SER Chi-restraints excluded: chain B residue 92 LEU Chi-restraints excluded: chain B residue 106 GLU Chi-restraints excluded: chain B residue 182 LYS Chi-restraints excluded: chain B residue 253 LEU Chi-restraints excluded: chain B residue 257 LYS Chi-restraints excluded: chain C residue 162 ASP Chi-restraints excluded: chain C residue 182 LYS Chi-restraints excluded: chain C residue 185 LYS Chi-restraints excluded: chain D residue 62 ASN Chi-restraints excluded: chain D residue 72 SER Chi-restraints excluded: chain D residue 233 ASP Chi-restraints excluded: chain D residue 253 LEU Chi-restraints excluded: chain E residue 72 SER Chi-restraints excluded: chain E residue 136 GLU Chi-restraints excluded: chain E residue 179 ASN Chi-restraints excluded: chain E residue 233 ASP Chi-restraints excluded: chain F residue 72 SER Chi-restraints excluded: chain F residue 136 GLU Chi-restraints excluded: chain F residue 179 ASN Chi-restraints excluded: chain F residue 233 ASP Chi-restraints excluded: chain G residue 2 GLU Chi-restraints excluded: chain G residue 62 ASN Chi-restraints excluded: chain G residue 160 SER Chi-restraints excluded: chain G residue 182 LYS Chi-restraints excluded: chain H residue 72 SER Chi-restraints excluded: chain H residue 106 GLU Chi-restraints excluded: chain H residue 182 LYS Chi-restraints excluded: chain H residue 253 LEU Chi-restraints excluded: chain H residue 257 LYS Chi-restraints excluded: chain I residue 182 LYS Chi-restraints excluded: chain J residue 62 ASN Chi-restraints excluded: chain J residue 72 SER Chi-restraints excluded: chain J residue 233 ASP Chi-restraints excluded: chain J residue 253 LEU Chi-restraints excluded: chain K residue 62 ASN Chi-restraints excluded: chain K residue 72 SER Chi-restraints excluded: chain K residue 162 ASP Chi-restraints excluded: chain K residue 233 ASP Chi-restraints excluded: chain K residue 253 LEU Chi-restraints excluded: chain L residue 72 SER Chi-restraints excluded: chain L residue 106 GLU Chi-restraints excluded: chain L residue 136 GLU Chi-restraints excluded: chain L residue 179 ASN Chi-restraints excluded: chain L residue 233 ASP Chi-restraints excluded: chain M residue 2 GLU Chi-restraints excluded: chain M residue 62 ASN Chi-restraints excluded: chain M residue 160 SER Chi-restraints excluded: chain M residue 182 LYS Chi-restraints excluded: chain N residue 72 SER Chi-restraints excluded: chain N residue 106 GLU Chi-restraints excluded: chain N residue 182 LYS Chi-restraints excluded: chain N residue 188 GLU Chi-restraints excluded: chain N residue 253 LEU Chi-restraints excluded: chain N residue 257 LYS Chi-restraints excluded: chain O residue 162 ASP Chi-restraints excluded: chain O residue 182 LYS Chi-restraints excluded: chain P residue 182 LYS Chi-restraints excluded: chain Q residue 62 ASN Chi-restraints excluded: chain Q residue 72 SER Chi-restraints excluded: chain Q residue 233 ASP Chi-restraints excluded: chain Q residue 253 LEU Chi-restraints excluded: chain R residue 72 SER Chi-restraints excluded: chain R residue 106 GLU Chi-restraints excluded: chain R residue 136 GLU Chi-restraints excluded: chain R residue 179 ASN Chi-restraints excluded: chain R residue 233 ASP Chi-restraints excluded: chain S residue 2 GLU Chi-restraints excluded: chain S residue 62 ASN Chi-restraints excluded: chain S residue 160 SER Chi-restraints excluded: chain S residue 182 LYS Chi-restraints excluded: chain T residue 72 SER Chi-restraints excluded: chain T residue 92 LEU Chi-restraints excluded: chain T residue 106 GLU Chi-restraints excluded: chain T residue 182 LYS Chi-restraints excluded: chain T residue 188 GLU Chi-restraints excluded: chain T residue 253 LEU Chi-restraints excluded: chain T residue 257 LYS Chi-restraints excluded: chain U residue 72 SER Chi-restraints excluded: chain U residue 136 GLU Chi-restraints excluded: chain U residue 179 ASN Chi-restraints excluded: chain U residue 233 ASP Chi-restraints excluded: chain V residue 62 ASN Chi-restraints excluded: chain V residue 160 SER Chi-restraints excluded: chain V residue 182 LYS Chi-restraints excluded: chain W residue 72 SER Chi-restraints excluded: chain W residue 106 GLU Chi-restraints excluded: chain W residue 182 LYS Chi-restraints excluded: chain W residue 253 LEU Chi-restraints excluded: chain W residue 257 LYS Chi-restraints excluded: chain X residue 182 LYS Chi-restraints excluded: chain Y residue 62 ASN Chi-restraints excluded: chain Y residue 72 SER Chi-restraints excluded: chain Y residue 162 ASP Chi-restraints excluded: chain Y residue 233 ASP Chi-restraints excluded: chain Y residue 253 LEU Chi-restraints excluded: chain Z residue 62 ASN Chi-restraints excluded: chain Z residue 160 SER Chi-restraints excluded: chain Z residue 182 LYS Chi-restraints excluded: chain 0 residue 72 SER Chi-restraints excluded: chain 0 residue 106 GLU Chi-restraints excluded: chain 0 residue 182 LYS Chi-restraints excluded: chain 0 residue 253 LEU Chi-restraints excluded: chain 0 residue 257 LYS Chi-restraints excluded: chain 1 residue 162 ASP Chi-restraints excluded: chain 1 residue 182 LYS Chi-restraints excluded: chain 2 residue 62 ASN Chi-restraints excluded: chain 2 residue 72 SER Chi-restraints excluded: chain 2 residue 233 ASP Chi-restraints excluded: chain 2 residue 253 LEU Chi-restraints excluded: chain 3 residue 72 SER Chi-restraints excluded: chain 3 residue 136 GLU Chi-restraints excluded: chain 3 residue 179 ASN Chi-restraints excluded: chain 3 residue 233 ASP Chi-restraints excluded: chain 3 residue 240 THR Chi-restraints excluded: chain 4 residue 162 ASP Chi-restraints excluded: chain 4 residue 182 LYS Chi-restraints excluded: chain 5 residue 62 ASN Chi-restraints excluded: chain 5 residue 72 SER Chi-restraints excluded: chain 5 residue 233 ASP Chi-restraints excluded: chain 5 residue 253 LEU Chi-restraints excluded: chain 6 residue 136 GLU Chi-restraints excluded: chain 6 residue 179 ASN Chi-restraints excluded: chain 6 residue 233 ASP Chi-restraints excluded: chain 6 residue 240 THR Chi-restraints excluded: chain 7 residue 2 GLU Chi-restraints excluded: chain 7 residue 62 ASN Chi-restraints excluded: chain 7 residue 160 SER Chi-restraints excluded: chain 7 residue 182 LYS Chi-restraints excluded: chain 8 residue 72 SER Chi-restraints excluded: chain 8 residue 92 LEU Chi-restraints excluded: chain 8 residue 106 GLU Chi-restraints excluded: chain 8 residue 182 LYS Chi-restraints excluded: chain 8 residue 253 LEU Chi-restraints excluded: chain 8 residue 257 LYS Chi-restraints excluded: chain 9 residue 62 ASN Chi-restraints excluded: chain 9 residue 72 SER Chi-restraints excluded: chain 9 residue 233 ASP Chi-restraints excluded: chain 9 residue 253 LEU Chi-restraints excluded: chain a residue 72 SER Chi-restraints excluded: chain a residue 136 GLU Chi-restraints excluded: chain a residue 179 ASN Chi-restraints excluded: chain a residue 233 ASP Chi-restraints excluded: chain b residue 2 GLU Chi-restraints excluded: chain b residue 62 ASN Chi-restraints excluded: chain b residue 160 SER Chi-restraints excluded: chain c residue 72 SER Chi-restraints excluded: chain c residue 106 GLU Chi-restraints excluded: chain c residue 182 LYS Chi-restraints excluded: chain c residue 253 LEU Chi-restraints excluded: chain c residue 257 LYS Chi-restraints excluded: chain d residue 162 ASP Chi-restraints excluded: chain d residue 182 LYS Chi-restraints excluded: chain e residue 182 LYS Chi-restraints excluded: chain f residue 62 ASN Chi-restraints excluded: chain f residue 72 SER Chi-restraints excluded: chain f residue 162 ASP Chi-restraints excluded: chain f residue 233 ASP Chi-restraints excluded: chain f residue 253 LEU Chi-restraints excluded: chain g residue 72 SER Chi-restraints excluded: chain g residue 136 GLU Chi-restraints excluded: chain g residue 179 ASN Chi-restraints excluded: chain g residue 233 ASP Chi-restraints excluded: chain h residue 2 GLU Chi-restraints excluded: chain h residue 62 ASN Chi-restraints excluded: chain h residue 160 SER Chi-restraints excluded: chain i residue 72 SER Chi-restraints excluded: chain i residue 92 LEU Chi-restraints excluded: chain i residue 106 GLU Chi-restraints excluded: chain i residue 182 LYS Chi-restraints excluded: chain i residue 188 GLU Chi-restraints excluded: chain i residue 253 LEU Chi-restraints excluded: chain i residue 257 LYS Chi-restraints excluded: chain j residue 62 ASN Chi-restraints excluded: chain j residue 72 SER Chi-restraints excluded: chain j residue 233 ASP Chi-restraints excluded: chain j residue 253 LEU Chi-restraints excluded: chain k residue 72 SER Chi-restraints excluded: chain k residue 106 GLU Chi-restraints excluded: chain k residue 136 GLU Chi-restraints excluded: chain k residue 179 ASN Chi-restraints excluded: chain k residue 233 ASP Chi-restraints excluded: chain k residue 240 THR Chi-restraints excluded: chain l residue 2 GLU Chi-restraints excluded: chain l residue 62 ASN Chi-restraints excluded: chain l residue 160 SER Chi-restraints excluded: chain l residue 182 LYS Chi-restraints excluded: chain m residue 72 SER Chi-restraints excluded: chain m residue 106 GLU Chi-restraints excluded: chain m residue 182 LYS Chi-restraints excluded: chain m residue 188 GLU Chi-restraints excluded: chain m residue 253 LEU Chi-restraints excluded: chain m residue 257 LYS Chi-restraints excluded: chain n residue 162 ASP Chi-restraints excluded: chain n residue 182 LYS Chi-restraints excluded: chain o residue 72 SER Chi-restraints excluded: chain o residue 136 GLU Chi-restraints excluded: chain o residue 179 ASN Chi-restraints excluded: chain o residue 233 ASP Chi-restraints excluded: chain p residue 2 GLU Chi-restraints excluded: chain p residue 62 ASN Chi-restraints excluded: chain p residue 160 SER Chi-restraints excluded: chain p residue 182 LYS Chi-restraints excluded: chain q residue 72 SER Chi-restraints excluded: chain q residue 106 GLU Chi-restraints excluded: chain q residue 182 LYS Chi-restraints excluded: chain q residue 253 LEU Chi-restraints excluded: chain q residue 257 LYS Chi-restraints excluded: chain r residue 182 LYS Chi-restraints excluded: chain s residue 62 ASN Chi-restraints excluded: chain s residue 72 SER Chi-restraints excluded: chain s residue 233 ASP Chi-restraints excluded: chain s residue 253 LEU Chi-restraints excluded: chain s residue 257 LYS Chi-restraints excluded: chain t residue 2 GLU Chi-restraints excluded: chain t residue 62 ASN Chi-restraints excluded: chain t residue 160 SER Chi-restraints excluded: chain u residue 72 SER Chi-restraints excluded: chain u residue 106 GLU Chi-restraints excluded: chain u residue 182 LYS Chi-restraints excluded: chain u residue 253 LEU Chi-restraints excluded: chain u residue 257 LYS Chi-restraints excluded: chain v residue 162 ASP Chi-restraints excluded: chain v residue 182 LYS Chi-restraints excluded: chain w residue 62 ASN Chi-restraints excluded: chain w residue 72 SER Chi-restraints excluded: chain w residue 233 ASP Chi-restraints excluded: chain w residue 253 LEU Chi-restraints excluded: chain x residue 72 SER Chi-restraints excluded: chain x residue 106 GLU Chi-restraints excluded: chain x residue 136 GLU Chi-restraints excluded: chain x residue 179 ASN Chi-restraints excluded: chain x residue 233 ASP Chi-restraints excluded: chain x residue 240 THR 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: 6.9990 chunk 1267 optimal weight: 6.9990 chunk 364 optimal weight: 10.0000 chunk 1097 optimal weight: 5.9990 chunk 175 optimal weight: 9.9990 chunk 330 optimal weight: 0.9990 chunk 1191 optimal weight: 5.9990 chunk 498 optimal weight: 6.9990 chunk 1223 optimal weight: 5.9990 chunk 150 optimal weight: 9.9990 overall best weight: 5.1990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 21 ASN D 173 ASN E 21 ASN H 21 ASN J 173 ASN K 173 ASN L 21 ASN N 21 ASN O 173 ASN Q 173 ASN R 21 ASN T 21 ASN U 21 ASN W 21 ASN Y 173 ASN 0 21 ASN 2 173 ASN 3 21 ASN 5 173 ASN 6 21 ASN 8 21 ASN 9 173 ASN a 21 ASN c 21 ASN f 173 ASN g 21 ASN i 21 ASN k 21 ASN m 21 ASN q 17 GLN q 21 ASN u 21 ASN v 173 ASN w 173 ASN x 21 ASN Total number of N/Q/H flips: 35 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3560 r_free = 0.3560 target = 0.140477 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 45)----------------| | r_work = 0.3280 r_free = 0.3280 target = 0.117579 restraints weight = 148442.346| |-----------------------------------------------------------------------------| r_work (start): 0.3287 rms_B_bonded: 1.67 r_work: 0.3183 rms_B_bonded: 2.19 restraints_weight: 0.5000 r_work: 0.3074 rms_B_bonded: 3.70 restraints_weight: 0.2500 r_work (final): 0.3074 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8486 moved from start: 0.1372 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.032 129900 Z= 0.345 Angle : 0.865 8.373 175440 Z= 0.462 Chirality : 0.051 0.164 19380 Planarity : 0.006 0.046 22320 Dihedral : 7.556 57.089 17824 Min Nonbonded Distance : 2.257 Molprobity Statistics. All-atom Clashscore : 3.71 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.83 % Favored : 96.17 % Rotamer: Outliers : 2.45 % Allowed : 20.42 % Favored : 77.13 % 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: -2.51 (0.06), residues: 15360 helix: -1.14 (0.08), residues: 4020 sheet: -0.39 (0.14), residues: 1380 loop : -2.21 (0.05), residues: 9960 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.007 0.002 TRP D 45 HIS 0.005 0.003 HIS v 50 PHE 0.012 0.002 PHE r 114 TYR 0.011 0.002 TYR h 47 ARG 0.004 0.001 ARG 9 79 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 49125.08 seconds wall clock time: 843 minutes 52.22 seconds (50632.22 seconds total)