Starting phenix.real_space_refine on Sat Mar 16 06:55:02 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7lil_23382/03_2024/7lil_23382_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7lil_23382/03_2024/7lil_23382.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=2.84 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7lil_23382/03_2024/7lil_23382.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7lil_23382/03_2024/7lil_23382.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7lil_23382/03_2024/7lil_23382_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7lil_23382/03_2024/7lil_23382_updated.pdb" } resolution = 2.84 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= 0.004 sd= 0.085 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 83220 2.51 5 N 21600 2.21 5 O 25080 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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 90": "OD1" <-> "OD2" Residue "A GLU 117": "OE1" <-> "OE2" Residue "A PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 136": "OE1" <-> "OE2" Residue "A PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 193": "NH1" <-> "NH2" Residue "A PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 229": "OD1" <-> "OD2" Residue "A GLU 235": "OE1" <-> "OE2" Residue "A PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ASP 90": "OD1" <-> "OD2" Residue "B GLU 117": "OE1" <-> "OE2" Residue "B PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 136": "OE1" <-> "OE2" Residue "B PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ARG 193": "NH1" <-> "NH2" Residue "B PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ASP 229": "OD1" <-> "OD2" Residue "B GLU 235": "OE1" <-> "OE2" Residue "B PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 90": "OD1" <-> "OD2" Residue "C GLU 117": "OE1" <-> "OE2" Residue "C PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 136": "OE1" <-> "OE2" Residue "C PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ARG 193": "NH1" <-> "NH2" Residue "C PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 229": "OD1" <-> "OD2" Residue "C GLU 235": "OE1" <-> "OE2" Residue "C PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 90": "OD1" <-> "OD2" Residue "D GLU 117": "OE1" <-> "OE2" Residue "D PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 136": "OE1" <-> "OE2" Residue "D PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ARG 193": "NH1" <-> "NH2" Residue "D PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 229": "OD1" <-> "OD2" Residue "D GLU 235": "OE1" <-> "OE2" Residue "D PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ASP 90": "OD1" <-> "OD2" Residue "E GLU 117": "OE1" <-> "OE2" Residue "E PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 136": "OE1" <-> "OE2" Residue "E PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ARG 193": "NH1" <-> "NH2" Residue "E PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ASP 229": "OD1" <-> "OD2" Residue "E GLU 235": "OE1" <-> "OE2" Residue "E PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ASP 90": "OD1" <-> "OD2" Residue "F GLU 117": "OE1" <-> "OE2" Residue "F PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F GLU 136": "OE1" <-> "OE2" Residue "F PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ARG 193": "NH1" <-> "NH2" Residue "F PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ASP 229": "OD1" <-> "OD2" Residue "F GLU 235": "OE1" <-> "OE2" Residue "F PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 90": "OD1" <-> "OD2" Residue "G GLU 117": "OE1" <-> "OE2" Residue "G PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 136": "OE1" <-> "OE2" Residue "G PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 193": "NH1" <-> "NH2" Residue "G PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 229": "OD1" <-> "OD2" Residue "G GLU 235": "OE1" <-> "OE2" Residue "G PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H ASP 90": "OD1" <-> "OD2" Residue "H GLU 117": "OE1" <-> "OE2" Residue "H PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H GLU 136": "OE1" <-> "OE2" Residue "H PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H ARG 193": "NH1" <-> "NH2" Residue "H PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H ASP 229": "OD1" <-> "OD2" Residue "H GLU 235": "OE1" <-> "OE2" Residue "H PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ASP 90": "OD1" <-> "OD2" Residue "I GLU 117": "OE1" <-> "OE2" Residue "I PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I GLU 136": "OE1" <-> "OE2" Residue "I PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ARG 193": "NH1" <-> "NH2" Residue "I PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ASP 229": "OD1" <-> "OD2" Residue "I GLU 235": "OE1" <-> "OE2" Residue "I PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 90": "OD1" <-> "OD2" Residue "J GLU 117": "OE1" <-> "OE2" Residue "J PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J GLU 136": "OE1" <-> "OE2" Residue "J PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ARG 193": "NH1" <-> "NH2" Residue "J PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 229": "OD1" <-> "OD2" Residue "J GLU 235": "OE1" <-> "OE2" Residue "J PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ASP 90": "OD1" <-> "OD2" Residue "K GLU 117": "OE1" <-> "OE2" Residue "K PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K GLU 136": "OE1" <-> "OE2" Residue "K PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ARG 193": "NH1" <-> "NH2" Residue "K PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ASP 229": "OD1" <-> "OD2" Residue "K GLU 235": "OE1" <-> "OE2" Residue "K PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ASP 90": "OD1" <-> "OD2" Residue "L GLU 117": "OE1" <-> "OE2" Residue "L PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L GLU 136": "OE1" <-> "OE2" Residue "L PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ARG 193": "NH1" <-> "NH2" Residue "L PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ASP 229": "OD1" <-> "OD2" Residue "L GLU 235": "OE1" <-> "OE2" Residue "L PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ASP 90": "OD1" <-> "OD2" Residue "M GLU 117": "OE1" <-> "OE2" Residue "M PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M GLU 136": "OE1" <-> "OE2" Residue "M PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ARG 193": "NH1" <-> "NH2" Residue "M PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ASP 229": "OD1" <-> "OD2" Residue "M GLU 235": "OE1" <-> "OE2" Residue "M PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ASP 90": "OD1" <-> "OD2" Residue "N GLU 117": "OE1" <-> "OE2" Residue "N PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N GLU 136": "OE1" <-> "OE2" Residue "N PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ARG 193": "NH1" <-> "NH2" Residue "N PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ASP 229": "OD1" <-> "OD2" Residue "N GLU 235": "OE1" <-> "OE2" Residue "N PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ASP 90": "OD1" <-> "OD2" Residue "O GLU 117": "OE1" <-> "OE2" Residue "O PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O GLU 136": "OE1" <-> "OE2" Residue "O PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ARG 193": "NH1" <-> "NH2" Residue "O PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ASP 229": "OD1" <-> "OD2" Residue "O GLU 235": "OE1" <-> "OE2" Residue "O PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ASP 90": "OD1" <-> "OD2" Residue "P GLU 117": "OE1" <-> "OE2" Residue "P PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P GLU 136": "OE1" <-> "OE2" Residue "P PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ARG 193": "NH1" <-> "NH2" Residue "P PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ASP 229": "OD1" <-> "OD2" Residue "P GLU 235": "OE1" <-> "OE2" Residue "P PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q ASP 90": "OD1" <-> "OD2" Residue "Q GLU 117": "OE1" <-> "OE2" Residue "Q PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q GLU 136": "OE1" <-> "OE2" Residue "Q PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q ARG 193": "NH1" <-> "NH2" Residue "Q PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q ASP 229": "OD1" <-> "OD2" Residue "Q GLU 235": "OE1" <-> "OE2" Residue "Q PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R ASP 90": "OD1" <-> "OD2" Residue "R GLU 117": "OE1" <-> "OE2" Residue "R PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R GLU 136": "OE1" <-> "OE2" Residue "R PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R ARG 193": "NH1" <-> "NH2" Residue "R PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R ASP 229": "OD1" <-> "OD2" Residue "R GLU 235": "OE1" <-> "OE2" Residue "R PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S ASP 90": "OD1" <-> "OD2" Residue "S GLU 117": "OE1" <-> "OE2" Residue "S PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S GLU 136": "OE1" <-> "OE2" Residue "S PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S ARG 193": "NH1" <-> "NH2" Residue "S PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S ASP 229": "OD1" <-> "OD2" Residue "S GLU 235": "OE1" <-> "OE2" Residue "S PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T ASP 90": "OD1" <-> "OD2" Residue "T GLU 117": "OE1" <-> "OE2" Residue "T PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T GLU 136": "OE1" <-> "OE2" Residue "T PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T ARG 193": "NH1" <-> "NH2" Residue "T PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T ASP 229": "OD1" <-> "OD2" Residue "T GLU 235": "OE1" <-> "OE2" Residue "T PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U ASP 90": "OD1" <-> "OD2" Residue "U GLU 117": "OE1" <-> "OE2" Residue "U PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U GLU 136": "OE1" <-> "OE2" Residue "U PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U ARG 193": "NH1" <-> "NH2" Residue "U PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U ASP 229": "OD1" <-> "OD2" Residue "U GLU 235": "OE1" <-> "OE2" Residue "U PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V ASP 90": "OD1" <-> "OD2" Residue "V GLU 117": "OE1" <-> "OE2" Residue "V PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V GLU 136": "OE1" <-> "OE2" Residue "V PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V ARG 193": "NH1" <-> "NH2" Residue "V PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V ASP 229": "OD1" <-> "OD2" Residue "V GLU 235": "OE1" <-> "OE2" Residue "V PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W ASP 90": "OD1" <-> "OD2" Residue "W GLU 117": "OE1" <-> "OE2" Residue "W PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W GLU 136": "OE1" <-> "OE2" Residue "W PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W ARG 193": "NH1" <-> "NH2" Residue "W PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W ASP 229": "OD1" <-> "OD2" Residue "W GLU 235": "OE1" <-> "OE2" Residue "W PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X ASP 90": "OD1" <-> "OD2" Residue "X GLU 117": "OE1" <-> "OE2" Residue "X PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X GLU 136": "OE1" <-> "OE2" Residue "X PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X ARG 193": "NH1" <-> "NH2" Residue "X PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X ASP 229": "OD1" <-> "OD2" Residue "X GLU 235": "OE1" <-> "OE2" Residue "X PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y ASP 90": "OD1" <-> "OD2" Residue "Y GLU 117": "OE1" <-> "OE2" Residue "Y PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y GLU 136": "OE1" <-> "OE2" Residue "Y PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y ARG 193": "NH1" <-> "NH2" Residue "Y PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y ASP 229": "OD1" <-> "OD2" Residue "Y GLU 235": "OE1" <-> "OE2" Residue "Y PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z ASP 90": "OD1" <-> "OD2" Residue "Z GLU 117": "OE1" <-> "OE2" Residue "Z PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z GLU 136": "OE1" <-> "OE2" Residue "Z PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z ARG 193": "NH1" <-> "NH2" Residue "Z PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z ASP 229": "OD1" <-> "OD2" Residue "Z GLU 235": "OE1" <-> "OE2" Residue "Z PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 ASP 90": "OD1" <-> "OD2" Residue "0 GLU 117": "OE1" <-> "OE2" Residue "0 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 GLU 136": "OE1" <-> "OE2" Residue "0 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 ARG 193": "NH1" <-> "NH2" Residue "0 PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 ASP 229": "OD1" <-> "OD2" Residue "0 GLU 235": "OE1" <-> "OE2" Residue "0 PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ASP 90": "OD1" <-> "OD2" Residue "1 GLU 117": "OE1" <-> "OE2" Residue "1 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 GLU 136": "OE1" <-> "OE2" Residue "1 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ARG 193": "NH1" <-> "NH2" Residue "1 PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ASP 229": "OD1" <-> "OD2" Residue "1 GLU 235": "OE1" <-> "OE2" Residue "1 PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 ASP 90": "OD1" <-> "OD2" Residue "2 GLU 117": "OE1" <-> "OE2" Residue "2 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 GLU 136": "OE1" <-> "OE2" Residue "2 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 ARG 193": "NH1" <-> "NH2" Residue "2 PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 ASP 229": "OD1" <-> "OD2" Residue "2 GLU 235": "OE1" <-> "OE2" Residue "2 PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ASP 90": "OD1" <-> "OD2" Residue "3 GLU 117": "OE1" <-> "OE2" Residue "3 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 GLU 136": "OE1" <-> "OE2" Residue "3 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ARG 193": "NH1" <-> "NH2" Residue "3 PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ASP 229": "OD1" <-> "OD2" Residue "3 GLU 235": "OE1" <-> "OE2" Residue "3 PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 ASP 90": "OD1" <-> "OD2" Residue "4 GLU 117": "OE1" <-> "OE2" Residue "4 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 GLU 136": "OE1" <-> "OE2" Residue "4 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 ARG 193": "NH1" <-> "NH2" Residue "4 PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 ASP 229": "OD1" <-> "OD2" Residue "4 GLU 235": "OE1" <-> "OE2" Residue "4 PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 ASP 90": "OD1" <-> "OD2" Residue "5 GLU 117": "OE1" <-> "OE2" Residue "5 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 GLU 136": "OE1" <-> "OE2" Residue "5 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 ARG 193": "NH1" <-> "NH2" Residue "5 PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 ASP 229": "OD1" <-> "OD2" Residue "5 GLU 235": "OE1" <-> "OE2" Residue "5 PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 ASP 90": "OD1" <-> "OD2" Residue "6 GLU 117": "OE1" <-> "OE2" Residue "6 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 GLU 136": "OE1" <-> "OE2" Residue "6 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 ARG 193": "NH1" <-> "NH2" Residue "6 PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 ASP 229": "OD1" <-> "OD2" Residue "6 GLU 235": "OE1" <-> "OE2" Residue "6 PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 ASP 90": "OD1" <-> "OD2" Residue "7 GLU 117": "OE1" <-> "OE2" Residue "7 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 GLU 136": "OE1" <-> "OE2" Residue "7 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 ARG 193": "NH1" <-> "NH2" Residue "7 PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 ASP 229": "OD1" <-> "OD2" Residue "7 GLU 235": "OE1" <-> "OE2" Residue "7 PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 ASP 90": "OD1" <-> "OD2" Residue "8 GLU 117": "OE1" <-> "OE2" Residue "8 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 GLU 136": "OE1" <-> "OE2" Residue "8 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 ARG 193": "NH1" <-> "NH2" Residue "8 PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 ASP 229": "OD1" <-> "OD2" Residue "8 GLU 235": "OE1" <-> "OE2" Residue "8 PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 ASP 90": "OD1" <-> "OD2" Residue "9 GLU 117": "OE1" <-> "OE2" Residue "9 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 GLU 136": "OE1" <-> "OE2" Residue "9 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 ARG 193": "NH1" <-> "NH2" Residue "9 PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 ASP 229": "OD1" <-> "OD2" Residue "9 GLU 235": "OE1" <-> "OE2" Residue "9 PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a ASP 90": "OD1" <-> "OD2" Residue "a GLU 117": "OE1" <-> "OE2" Residue "a PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a GLU 136": "OE1" <-> "OE2" Residue "a PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a ARG 193": "NH1" <-> "NH2" Residue "a PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a ASP 229": "OD1" <-> "OD2" Residue "a GLU 235": "OE1" <-> "OE2" Residue "a PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b ASP 90": "OD1" <-> "OD2" Residue "b GLU 117": "OE1" <-> "OE2" Residue "b PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b GLU 136": "OE1" <-> "OE2" Residue "b PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b ARG 193": "NH1" <-> "NH2" Residue "b PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b ASP 229": "OD1" <-> "OD2" Residue "b GLU 235": "OE1" <-> "OE2" Residue "b PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c ASP 90": "OD1" <-> "OD2" Residue "c GLU 117": "OE1" <-> "OE2" Residue "c PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c GLU 136": "OE1" <-> "OE2" Residue "c PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c ARG 193": "NH1" <-> "NH2" Residue "c PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c ASP 229": "OD1" <-> "OD2" Residue "c GLU 235": "OE1" <-> "OE2" Residue "c PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d ASP 90": "OD1" <-> "OD2" Residue "d GLU 117": "OE1" <-> "OE2" Residue "d PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d GLU 136": "OE1" <-> "OE2" Residue "d PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d ARG 193": "NH1" <-> "NH2" Residue "d PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d ASP 229": "OD1" <-> "OD2" Residue "d GLU 235": "OE1" <-> "OE2" Residue "d PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e ASP 90": "OD1" <-> "OD2" Residue "e GLU 117": "OE1" <-> "OE2" Residue "e PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e GLU 136": "OE1" <-> "OE2" Residue "e PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e ARG 193": "NH1" <-> "NH2" Residue "e PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e ASP 229": "OD1" <-> "OD2" Residue "e GLU 235": "OE1" <-> "OE2" Residue "e PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f ASP 90": "OD1" <-> "OD2" Residue "f GLU 117": "OE1" <-> "OE2" Residue "f PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f GLU 136": "OE1" <-> "OE2" Residue "f PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f ARG 193": "NH1" <-> "NH2" Residue "f PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f ASP 229": "OD1" <-> "OD2" Residue "f GLU 235": "OE1" <-> "OE2" Residue "f PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g ASP 90": "OD1" <-> "OD2" Residue "g GLU 117": "OE1" <-> "OE2" Residue "g PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g GLU 136": "OE1" <-> "OE2" Residue "g PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g ARG 193": "NH1" <-> "NH2" Residue "g PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g ASP 229": "OD1" <-> "OD2" Residue "g GLU 235": "OE1" <-> "OE2" Residue "g PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h ASP 90": "OD1" <-> "OD2" Residue "h GLU 117": "OE1" <-> "OE2" Residue "h PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h GLU 136": "OE1" <-> "OE2" Residue "h PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h ARG 193": "NH1" <-> "NH2" Residue "h PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h ASP 229": "OD1" <-> "OD2" Residue "h GLU 235": "OE1" <-> "OE2" Residue "h PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i ASP 90": "OD1" <-> "OD2" Residue "i GLU 117": "OE1" <-> "OE2" Residue "i PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i GLU 136": "OE1" <-> "OE2" Residue "i PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i ARG 193": "NH1" <-> "NH2" Residue "i PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i ASP 229": "OD1" <-> "OD2" Residue "i GLU 235": "OE1" <-> "OE2" Residue "i PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j ASP 90": "OD1" <-> "OD2" Residue "j GLU 117": "OE1" <-> "OE2" Residue "j PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j GLU 136": "OE1" <-> "OE2" Residue "j PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j ARG 193": "NH1" <-> "NH2" Residue "j PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j ASP 229": "OD1" <-> "OD2" Residue "j GLU 235": "OE1" <-> "OE2" Residue "j PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k ASP 90": "OD1" <-> "OD2" Residue "k GLU 117": "OE1" <-> "OE2" Residue "k PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k GLU 136": "OE1" <-> "OE2" Residue "k PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k ARG 193": "NH1" <-> "NH2" Residue "k PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k ASP 229": "OD1" <-> "OD2" Residue "k GLU 235": "OE1" <-> "OE2" Residue "k PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l ASP 90": "OD1" <-> "OD2" Residue "l GLU 117": "OE1" <-> "OE2" Residue "l PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l GLU 136": "OE1" <-> "OE2" Residue "l PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l ARG 193": "NH1" <-> "NH2" Residue "l PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l ASP 229": "OD1" <-> "OD2" Residue "l GLU 235": "OE1" <-> "OE2" Residue "l PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m ASP 90": "OD1" <-> "OD2" Residue "m GLU 117": "OE1" <-> "OE2" Residue "m PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m GLU 136": "OE1" <-> "OE2" Residue "m PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m ARG 193": "NH1" <-> "NH2" Residue "m PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m ASP 229": "OD1" <-> "OD2" Residue "m GLU 235": "OE1" <-> "OE2" Residue "m PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n ASP 90": "OD1" <-> "OD2" Residue "n GLU 117": "OE1" <-> "OE2" Residue "n PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n GLU 136": "OE1" <-> "OE2" Residue "n PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n ARG 193": "NH1" <-> "NH2" Residue "n PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n ASP 229": "OD1" <-> "OD2" Residue "n GLU 235": "OE1" <-> "OE2" Residue "n PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o ASP 90": "OD1" <-> "OD2" Residue "o GLU 117": "OE1" <-> "OE2" Residue "o PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o GLU 136": "OE1" <-> "OE2" Residue "o PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o ARG 193": "NH1" <-> "NH2" Residue "o PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o ASP 229": "OD1" <-> "OD2" Residue "o GLU 235": "OE1" <-> "OE2" Residue "o PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p ASP 90": "OD1" <-> "OD2" Residue "p GLU 117": "OE1" <-> "OE2" Residue "p PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p GLU 136": "OE1" <-> "OE2" Residue "p PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p ARG 193": "NH1" <-> "NH2" Residue "p PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p ASP 229": "OD1" <-> "OD2" Residue "p GLU 235": "OE1" <-> "OE2" Residue "p PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q ASP 90": "OD1" <-> "OD2" Residue "q GLU 117": "OE1" <-> "OE2" Residue "q PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q GLU 136": "OE1" <-> "OE2" Residue "q PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q ARG 193": "NH1" <-> "NH2" Residue "q PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q ASP 229": "OD1" <-> "OD2" Residue "q GLU 235": "OE1" <-> "OE2" Residue "q PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r ASP 90": "OD1" <-> "OD2" Residue "r GLU 117": "OE1" <-> "OE2" Residue "r PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r GLU 136": "OE1" <-> "OE2" Residue "r PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r ARG 193": "NH1" <-> "NH2" Residue "r PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r ASP 229": "OD1" <-> "OD2" Residue "r GLU 235": "OE1" <-> "OE2" Residue "r PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s ASP 90": "OD1" <-> "OD2" Residue "s GLU 117": "OE1" <-> "OE2" Residue "s PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s GLU 136": "OE1" <-> "OE2" Residue "s PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s ARG 193": "NH1" <-> "NH2" Residue "s PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s ASP 229": "OD1" <-> "OD2" Residue "s GLU 235": "OE1" <-> "OE2" Residue "s PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t ASP 90": "OD1" <-> "OD2" Residue "t GLU 117": "OE1" <-> "OE2" Residue "t PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t GLU 136": "OE1" <-> "OE2" Residue "t PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t ARG 193": "NH1" <-> "NH2" Residue "t PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t ASP 229": "OD1" <-> "OD2" Residue "t GLU 235": "OE1" <-> "OE2" Residue "t PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u ASP 90": "OD1" <-> "OD2" Residue "u GLU 117": "OE1" <-> "OE2" Residue "u PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u GLU 136": "OE1" <-> "OE2" Residue "u PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u ARG 193": "NH1" <-> "NH2" Residue "u PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u ASP 229": "OD1" <-> "OD2" Residue "u GLU 235": "OE1" <-> "OE2" Residue "u PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v ASP 90": "OD1" <-> "OD2" Residue "v GLU 117": "OE1" <-> "OE2" Residue "v PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v GLU 136": "OE1" <-> "OE2" Residue "v PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v ARG 193": "NH1" <-> "NH2" Residue "v PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v ASP 229": "OD1" <-> "OD2" Residue "v GLU 235": "OE1" <-> "OE2" Residue "v PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w ASP 90": "OD1" <-> "OD2" Residue "w GLU 117": "OE1" <-> "OE2" Residue "w PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w GLU 136": "OE1" <-> "OE2" Residue "w PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w ARG 193": "NH1" <-> "NH2" Residue "w PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w ASP 229": "OD1" <-> "OD2" Residue "w GLU 235": "OE1" <-> "OE2" Residue "w PHE 250": "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 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x ASP 90": "OD1" <-> "OD2" Residue "x GLU 117": "OE1" <-> "OE2" Residue "x PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x GLU 136": "OE1" <-> "OE2" Residue "x PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x ARG 193": "NH1" <-> "NH2" Residue "x PHE 222": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x ASP 229": "OD1" <-> "OD2" Residue "x GLU 235": "OE1" <-> "OE2" Residue "x PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Time to flip residues: 0.37s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/chem_data/mon_lib" Total number of atoms: 130140 Number of models: 1 Model: "" Number of chains: 60 Chain: "A" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS A 264 " pdbres="RBF A 301 " Chain: "B" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS B 264 " pdbres="RBF B 301 " Chain: "C" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS C 264 " pdbres="RBF C 301 " Chain: "D" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS D 264 " pdbres="RBF D 301 " Chain: "E" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS E 264 " pdbres="RBF E 301 " Chain: "F" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS F 264 " pdbres="RBF F 301 " Chain: "G" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS G 264 " pdbres="RBF G 301 " Chain: "H" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS H 264 " pdbres="RBF H 301 " Chain: "I" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS I 264 " pdbres="RBF I 301 " Chain: "J" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS J 264 " pdbres="RBF J 301 " Chain: "K" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS K 264 " pdbres="RBF K 301 " Chain: "L" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS L 264 " pdbres="RBF L 301 " Chain: "M" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS M 264 " pdbres="RBF M 301 " Chain: "N" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS N 264 " pdbres="RBF N 301 " Chain: "O" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS O 264 " pdbres="RBF O 301 " Chain: "P" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS P 264 " pdbres="RBF P 301 " Chain: "Q" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS Q 264 " pdbres="RBF Q 301 " Chain: "R" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS R 264 " pdbres="RBF R 301 " Chain: "S" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS S 264 " pdbres="RBF S 301 " Chain: "T" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS T 264 " pdbres="RBF T 301 " Chain: "U" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS U 264 " pdbres="RBF U 301 " Chain: "V" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS V 264 " pdbres="RBF V 301 " Chain: "W" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS W 264 " pdbres="RBF W 301 " Chain: "X" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS X 264 " pdbres="RBF X 301 " Chain: "Y" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS Y 264 " pdbres="RBF Y 301 " Chain: "Z" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS Z 264 " pdbres="RBF Z 301 " Chain: "0" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS 0 264 " pdbres="RBF 0 301 " Chain: "1" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS 1 264 " pdbres="RBF 1 301 " Chain: "2" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS 2 264 " pdbres="RBF 2 301 " Chain: "3" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS 3 264 " pdbres="RBF 3 301 " Chain: "4" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS 4 264 " pdbres="RBF 4 301 " Chain: "5" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS 5 264 " pdbres="RBF 5 301 " Chain: "6" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS 6 264 " pdbres="RBF 6 301 " Chain: "7" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS 7 264 " pdbres="RBF 7 301 " Chain: "8" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS 8 264 " pdbres="RBF 8 301 " Chain: "9" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS 9 264 " pdbres="RBF 9 301 " Chain: "a" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS a 264 " pdbres="RBF a 301 " Chain: "b" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS b 264 " pdbres="RBF b 301 " Chain: "c" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS c 264 " pdbres="RBF c 301 " Chain: "d" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS d 264 " pdbres="RBF d 301 " Chain: "e" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS e 264 " pdbres="RBF e 301 " Chain: "f" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS f 264 " pdbres="RBF f 301 " Chain: "g" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS g 264 " pdbres="RBF g 301 " Chain: "h" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS h 264 " pdbres="RBF h 301 " Chain: "i" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS i 264 " pdbres="RBF i 301 " Chain: "j" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS j 264 " pdbres="RBF j 301 " Chain: "k" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS k 264 " pdbres="RBF k 301 " Chain: "l" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS l 264 " pdbres="RBF l 301 " Chain: "m" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS m 264 " pdbres="RBF m 301 " Chain: "n" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS n 264 " pdbres="RBF n 301 " Chain: "o" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS o 264 " pdbres="RBF o 301 " Chain: "p" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS p 264 " pdbres="RBF p 301 " Chain: "q" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS q 264 " pdbres="RBF q 301 " Chain: "r" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS r 264 " pdbres="RBF r 301 " Chain: "s" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS s 264 " pdbres="RBF s 301 " Chain: "t" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS t 264 " pdbres="RBF t 301 " Chain: "u" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS u 264 " pdbres="RBF u 301 " Chain: "v" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS v 264 " pdbres="RBF v 301 " Chain: "w" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS w 264 " pdbres="RBF w 301 " Chain: "x" Number of atoms: 2169 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2169 Unusual residues: {'RBF': 1} Classifications: {'peptide': 264, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 253, None: 1} Not linked: pdbres="LYS x 264 " pdbres="RBF x 301 " Time building chain proxies: 46.18, per 1000 atoms: 0.35 Number of scatterers: 130140 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 25080 8.00 N 21600 7.00 C 83220 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: 29.84 Conformation dependent library (CDL) restraints added in 14.8 seconds 31440 Ramachandran restraints generated. 15720 Oldfield, 0 Emsley, 15720 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 29520 Finding SS restraints... Warning!!! ksdssp method is not applicable for structures that cannot fit in PDB format. Switching to from_ca. running find_ss_from_ca liberal... Secondary structure from input PDB file: 420 helices and 120 sheets defined 38.3% alpha, 21.6% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 25.66 Creating SS restraints... Processing helix chain 'A' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE A 19 " --> pdb=" O GLN A 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA A 23 " --> pdb=" O ILE A 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE A 26 " --> pdb=" O ARG A 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR A 29 " --> pdb=" O GLU A 25 " (cutoff:3.500A) Processing helix chain 'A' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE A 36 " --> pdb=" O TYR A 32 " (cutoff:3.500A) Processing helix chain 'A' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU A 89 " --> pdb=" O ASP A 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN A 91 " --> pdb=" O TRP A 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU A 92 " --> pdb=" O GLU A 88 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N GLU A 93 " --> pdb=" O LEU A 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG A 94 " --> pdb=" O ASP A 90 " (cutoff:3.500A) Processing helix chain 'A' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU A 105 " --> pdb=" O LEU A 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL A 118 " --> pdb=" O PHE A 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE A 119 " --> pdb=" O GLU A 115 " (cutoff:3.500A) Processing helix chain 'A' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU A 148 " --> pdb=" O THR A 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU A 149 " --> pdb=" O PRO A 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER A 157 " --> pdb=" O VAL A 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE A 158 " --> pdb=" O ARG A 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP A 162 " --> pdb=" O ILE A 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY A 163 " --> pdb=" O PHE A 159 " (cutoff:3.500A) Processing helix chain 'A' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU A 184 " --> pdb=" O PHE A 180 " (cutoff:3.500A) Processing helix chain 'A' and resid 189 through 199 removed outlier: 3.795A pdb=" N ARG A 193 " --> pdb=" O PRO A 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG A 199 " --> pdb=" O GLU A 195 " (cutoff:3.500A) Processing helix chain 'B' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE B 19 " --> pdb=" O GLN B 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA B 23 " --> pdb=" O ILE B 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE B 26 " --> pdb=" O ARG B 22 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N THR B 29 " --> pdb=" O GLU B 25 " (cutoff:3.500A) Processing helix chain 'B' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE B 36 " --> pdb=" O TYR B 32 " (cutoff:3.500A) Processing helix chain 'B' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU B 89 " --> pdb=" O ASP B 85 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N ASN B 91 " --> pdb=" O TRP B 87 " (cutoff:3.500A) removed outlier: 4.771A pdb=" N LEU B 92 " --> pdb=" O GLU B 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU B 93 " --> pdb=" O LEU B 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG B 94 " --> pdb=" O ASP B 90 " (cutoff:3.500A) Processing helix chain 'B' and resid 101 through 121 removed outlier: 3.778A pdb=" N GLU B 105 " --> pdb=" O LEU B 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL B 118 " --> pdb=" O PHE B 114 " (cutoff:3.500A) removed outlier: 3.818A pdb=" N ILE B 119 " --> pdb=" O GLU B 115 " (cutoff:3.500A) Processing helix chain 'B' and resid 144 through 163 removed outlier: 3.959A pdb=" N LEU B 148 " --> pdb=" O THR B 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU B 149 " --> pdb=" O PRO B 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER B 157 " --> pdb=" O VAL B 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE B 158 " --> pdb=" O ARG B 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP B 162 " --> pdb=" O ILE B 158 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N GLY B 163 " --> pdb=" O PHE B 159 " (cutoff:3.500A) Processing helix chain 'B' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU B 184 " --> pdb=" O PHE B 180 " (cutoff:3.500A) Processing helix chain 'B' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG B 193 " --> pdb=" O PRO B 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG B 199 " --> pdb=" O GLU B 195 " (cutoff:3.500A) Processing helix chain 'C' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE C 19 " --> pdb=" O GLN C 15 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N ALA C 23 " --> pdb=" O ILE C 19 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N ILE C 26 " --> pdb=" O ARG C 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR C 29 " --> pdb=" O GLU C 25 " (cutoff:3.500A) Processing helix chain 'C' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE C 36 " --> pdb=" O TYR C 32 " (cutoff:3.500A) Processing helix chain 'C' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU C 89 " --> pdb=" O ASP C 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN C 91 " --> pdb=" O TRP C 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU C 92 " --> pdb=" O GLU C 88 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N GLU C 93 " --> pdb=" O LEU C 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG C 94 " --> pdb=" O ASP C 90 " (cutoff:3.500A) Processing helix chain 'C' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU C 105 " --> pdb=" O LEU C 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL C 118 " --> pdb=" O PHE C 114 " (cutoff:3.500A) removed outlier: 3.818A pdb=" N ILE C 119 " --> pdb=" O GLU C 115 " (cutoff:3.500A) Processing helix chain 'C' and resid 144 through 163 removed outlier: 3.959A pdb=" N LEU C 148 " --> pdb=" O THR C 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU C 149 " --> pdb=" O PRO C 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER C 157 " --> pdb=" O VAL C 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE C 158 " --> pdb=" O ARG C 154 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N ASP C 162 " --> pdb=" O ILE C 158 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N GLY C 163 " --> pdb=" O PHE C 159 " (cutoff:3.500A) Processing helix chain 'C' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU C 184 " --> pdb=" O PHE C 180 " (cutoff:3.500A) Processing helix chain 'C' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG C 193 " --> pdb=" O PRO C 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG C 199 " --> pdb=" O GLU C 195 " (cutoff:3.500A) Processing helix chain 'D' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE D 19 " --> pdb=" O GLN D 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA D 23 " --> pdb=" O ILE D 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE D 26 " --> pdb=" O ARG D 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR D 29 " --> pdb=" O GLU D 25 " (cutoff:3.500A) Processing helix chain 'D' and resid 32 through 37 removed outlier: 4.546A pdb=" N PHE D 36 " --> pdb=" O TYR D 32 " (cutoff:3.500A) Processing helix chain 'D' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU D 89 " --> pdb=" O ASP D 85 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N ASN D 91 " --> pdb=" O TRP D 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU D 92 " --> pdb=" O GLU D 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU D 93 " --> pdb=" O LEU D 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG D 94 " --> pdb=" O ASP D 90 " (cutoff:3.500A) Processing helix chain 'D' and resid 101 through 121 removed outlier: 3.778A pdb=" N GLU D 105 " --> pdb=" O LEU D 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL D 118 " --> pdb=" O PHE D 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE D 119 " --> pdb=" O GLU D 115 " (cutoff:3.500A) Processing helix chain 'D' and resid 144 through 163 removed outlier: 3.959A pdb=" N LEU D 148 " --> pdb=" O THR D 144 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N LEU D 149 " --> pdb=" O PRO D 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER D 157 " --> pdb=" O VAL D 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE D 158 " --> pdb=" O ARG D 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP D 162 " --> pdb=" O ILE D 158 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N GLY D 163 " --> pdb=" O PHE D 159 " (cutoff:3.500A) Processing helix chain 'D' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU D 184 " --> pdb=" O PHE D 180 " (cutoff:3.500A) Processing helix chain 'D' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG D 193 " --> pdb=" O PRO D 189 " (cutoff:3.500A) removed outlier: 4.712A pdb=" N ARG D 199 " --> pdb=" O GLU D 195 " (cutoff:3.500A) Processing helix chain 'E' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE E 19 " --> pdb=" O GLN E 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA E 23 " --> pdb=" O ILE E 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE E 26 " --> pdb=" O ARG E 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR E 29 " --> pdb=" O GLU E 25 " (cutoff:3.500A) Processing helix chain 'E' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE E 36 " --> pdb=" O TYR E 32 " (cutoff:3.500A) Processing helix chain 'E' and resid 85 through 95 removed outlier: 3.555A pdb=" N LEU E 89 " --> pdb=" O ASP E 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN E 91 " --> pdb=" O TRP E 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU E 92 " --> pdb=" O GLU E 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU E 93 " --> pdb=" O LEU E 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG E 94 " --> pdb=" O ASP E 90 " (cutoff:3.500A) Processing helix chain 'E' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU E 105 " --> pdb=" O LEU E 101 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N VAL E 118 " --> pdb=" O PHE E 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE E 119 " --> pdb=" O GLU E 115 " (cutoff:3.500A) Processing helix chain 'E' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU E 148 " --> pdb=" O THR E 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU E 149 " --> pdb=" O PRO E 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER E 157 " --> pdb=" O VAL E 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE E 158 " --> pdb=" O ARG E 154 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N ASP E 162 " --> pdb=" O ILE E 158 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N GLY E 163 " --> pdb=" O PHE E 159 " (cutoff:3.500A) Processing helix chain 'E' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU E 184 " --> pdb=" O PHE E 180 " (cutoff:3.500A) Processing helix chain 'E' and resid 189 through 199 removed outlier: 3.795A pdb=" N ARG E 193 " --> pdb=" O PRO E 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG E 199 " --> pdb=" O GLU E 195 " (cutoff:3.500A) Processing helix chain 'F' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE F 19 " --> pdb=" O GLN F 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA F 23 " --> pdb=" O ILE F 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE F 26 " --> pdb=" O ARG F 22 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N THR F 29 " --> pdb=" O GLU F 25 " (cutoff:3.500A) Processing helix chain 'F' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE F 36 " --> pdb=" O TYR F 32 " (cutoff:3.500A) Processing helix chain 'F' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU F 89 " --> pdb=" O ASP F 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN F 91 " --> pdb=" O TRP F 87 " (cutoff:3.500A) removed outlier: 4.771A pdb=" N LEU F 92 " --> pdb=" O GLU F 88 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N GLU F 93 " --> pdb=" O LEU F 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG F 94 " --> pdb=" O ASP F 90 " (cutoff:3.500A) Processing helix chain 'F' and resid 101 through 121 removed outlier: 3.780A pdb=" N GLU F 105 " --> pdb=" O LEU F 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL F 118 " --> pdb=" O PHE F 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE F 119 " --> pdb=" O GLU F 115 " (cutoff:3.500A) Processing helix chain 'F' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU F 148 " --> pdb=" O THR F 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU F 149 " --> pdb=" O PRO F 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER F 157 " --> pdb=" O VAL F 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE F 158 " --> pdb=" O ARG F 154 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N ASP F 162 " --> pdb=" O ILE F 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY F 163 " --> pdb=" O PHE F 159 " (cutoff:3.500A) Processing helix chain 'F' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU F 184 " --> pdb=" O PHE F 180 " (cutoff:3.500A) Processing helix chain 'F' and resid 189 through 199 removed outlier: 3.795A pdb=" N ARG F 193 " --> pdb=" O PRO F 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG F 199 " --> pdb=" O GLU F 195 " (cutoff:3.500A) Processing helix chain 'G' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE G 19 " --> pdb=" O GLN G 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA G 23 " --> pdb=" O ILE G 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE G 26 " --> pdb=" O ARG G 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR G 29 " --> pdb=" O GLU G 25 " (cutoff:3.500A) Processing helix chain 'G' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE G 36 " --> pdb=" O TYR G 32 " (cutoff:3.500A) Processing helix chain 'G' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU G 89 " --> pdb=" O ASP G 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN G 91 " --> pdb=" O TRP G 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU G 92 " --> pdb=" O GLU G 88 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N GLU G 93 " --> pdb=" O LEU G 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG G 94 " --> pdb=" O ASP G 90 " (cutoff:3.500A) Processing helix chain 'G' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU G 105 " --> pdb=" O LEU G 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL G 118 " --> pdb=" O PHE G 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE G 119 " --> pdb=" O GLU G 115 " (cutoff:3.500A) Processing helix chain 'G' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU G 148 " --> pdb=" O THR G 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU G 149 " --> pdb=" O PRO G 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER G 157 " --> pdb=" O VAL G 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE G 158 " --> pdb=" O ARG G 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP G 162 " --> pdb=" O ILE G 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY G 163 " --> pdb=" O PHE G 159 " (cutoff:3.500A) Processing helix chain 'G' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU G 184 " --> pdb=" O PHE G 180 " (cutoff:3.500A) Processing helix chain 'G' and resid 189 through 199 removed outlier: 3.795A pdb=" N ARG G 193 " --> pdb=" O PRO G 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG G 199 " --> pdb=" O GLU G 195 " (cutoff:3.500A) Processing helix chain 'H' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE H 19 " --> pdb=" O GLN H 15 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N ALA H 23 " --> pdb=" O ILE H 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE H 26 " --> pdb=" O ARG H 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR H 29 " --> pdb=" O GLU H 25 " (cutoff:3.500A) Processing helix chain 'H' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE H 36 " --> pdb=" O TYR H 32 " (cutoff:3.500A) Processing helix chain 'H' and resid 85 through 95 removed outlier: 3.555A pdb=" N LEU H 89 " --> pdb=" O ASP H 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN H 91 " --> pdb=" O TRP H 87 " (cutoff:3.500A) removed outlier: 4.771A pdb=" N LEU H 92 " --> pdb=" O GLU H 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU H 93 " --> pdb=" O LEU H 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG H 94 " --> pdb=" O ASP H 90 " (cutoff:3.500A) Processing helix chain 'H' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU H 105 " --> pdb=" O LEU H 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL H 118 " --> pdb=" O PHE H 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE H 119 " --> pdb=" O GLU H 115 " (cutoff:3.500A) Processing helix chain 'H' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU H 148 " --> pdb=" O THR H 144 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N LEU H 149 " --> pdb=" O PRO H 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER H 157 " --> pdb=" O VAL H 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE H 158 " --> pdb=" O ARG H 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP H 162 " --> pdb=" O ILE H 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY H 163 " --> pdb=" O PHE H 159 " (cutoff:3.500A) Processing helix chain 'H' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU H 184 " --> pdb=" O PHE H 180 " (cutoff:3.500A) Processing helix chain 'H' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG H 193 " --> pdb=" O PRO H 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG H 199 " --> pdb=" O GLU H 195 " (cutoff:3.500A) Processing helix chain 'I' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE I 19 " --> pdb=" O GLN I 15 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N ALA I 23 " --> pdb=" O ILE I 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE I 26 " --> pdb=" O ARG I 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR I 29 " --> pdb=" O GLU I 25 " (cutoff:3.500A) Processing helix chain 'I' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE I 36 " --> pdb=" O TYR I 32 " (cutoff:3.500A) Processing helix chain 'I' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU I 89 " --> pdb=" O ASP I 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN I 91 " --> pdb=" O TRP I 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU I 92 " --> pdb=" O GLU I 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU I 93 " --> pdb=" O LEU I 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG I 94 " --> pdb=" O ASP I 90 " (cutoff:3.500A) Processing helix chain 'I' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU I 105 " --> pdb=" O LEU I 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL I 118 " --> pdb=" O PHE I 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE I 119 " --> pdb=" O GLU I 115 " (cutoff:3.500A) Processing helix chain 'I' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU I 148 " --> pdb=" O THR I 144 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N LEU I 149 " --> pdb=" O PRO I 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER I 157 " --> pdb=" O VAL I 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ILE I 158 " --> pdb=" O ARG I 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP I 162 " --> pdb=" O ILE I 158 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N GLY I 163 " --> pdb=" O PHE I 159 " (cutoff:3.500A) Processing helix chain 'I' and resid 173 through 184 removed outlier: 4.442A pdb=" N GLU I 184 " --> pdb=" O PHE I 180 " (cutoff:3.500A) Processing helix chain 'I' and resid 189 through 199 removed outlier: 3.795A pdb=" N ARG I 193 " --> pdb=" O PRO I 189 " (cutoff:3.500A) removed outlier: 4.712A pdb=" N ARG I 199 " --> pdb=" O GLU I 195 " (cutoff:3.500A) Processing helix chain 'J' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE J 19 " --> pdb=" O GLN J 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA J 23 " --> pdb=" O ILE J 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE J 26 " --> pdb=" O ARG J 22 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N THR J 29 " --> pdb=" O GLU J 25 " (cutoff:3.500A) Processing helix chain 'J' and resid 32 through 37 removed outlier: 4.548A pdb=" N PHE J 36 " --> pdb=" O TYR J 32 " (cutoff:3.500A) Processing helix chain 'J' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU J 89 " --> pdb=" O ASP J 85 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N ASN J 91 " --> pdb=" O TRP J 87 " (cutoff:3.500A) removed outlier: 4.771A pdb=" N LEU J 92 " --> pdb=" O GLU J 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU J 93 " --> pdb=" O LEU J 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG J 94 " --> pdb=" O ASP J 90 " (cutoff:3.500A) Processing helix chain 'J' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU J 105 " --> pdb=" O LEU J 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL J 118 " --> pdb=" O PHE J 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE J 119 " --> pdb=" O GLU J 115 " (cutoff:3.500A) Processing helix chain 'J' and resid 144 through 163 removed outlier: 3.959A pdb=" N LEU J 148 " --> pdb=" O THR J 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU J 149 " --> pdb=" O PRO J 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER J 157 " --> pdb=" O VAL J 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE J 158 " --> pdb=" O ARG J 154 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N ASP J 162 " --> pdb=" O ILE J 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY J 163 " --> pdb=" O PHE J 159 " (cutoff:3.500A) Processing helix chain 'J' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU J 184 " --> pdb=" O PHE J 180 " (cutoff:3.500A) Processing helix chain 'J' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG J 193 " --> pdb=" O PRO J 189 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N ARG J 199 " --> pdb=" O GLU J 195 " (cutoff:3.500A) Processing helix chain 'K' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE K 19 " --> pdb=" O GLN K 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA K 23 " --> pdb=" O ILE K 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE K 26 " --> pdb=" O ARG K 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR K 29 " --> pdb=" O GLU K 25 " (cutoff:3.500A) Processing helix chain 'K' and resid 32 through 37 removed outlier: 4.546A pdb=" N PHE K 36 " --> pdb=" O TYR K 32 " (cutoff:3.500A) Processing helix chain 'K' and resid 85 through 95 removed outlier: 3.555A pdb=" N LEU K 89 " --> pdb=" O ASP K 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN K 91 " --> pdb=" O TRP K 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU K 92 " --> pdb=" O GLU K 88 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N GLU K 93 " --> pdb=" O LEU K 89 " (cutoff:3.500A) removed outlier: 4.122A pdb=" N ARG K 94 " --> pdb=" O ASP K 90 " (cutoff:3.500A) Processing helix chain 'K' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU K 105 " --> pdb=" O LEU K 101 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N VAL K 118 " --> pdb=" O PHE K 114 " (cutoff:3.500A) removed outlier: 3.818A pdb=" N ILE K 119 " --> pdb=" O GLU K 115 " (cutoff:3.500A) Processing helix chain 'K' and resid 144 through 163 removed outlier: 3.959A pdb=" N LEU K 148 " --> pdb=" O THR K 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU K 149 " --> pdb=" O PRO K 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER K 157 " --> pdb=" O VAL K 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE K 158 " --> pdb=" O ARG K 154 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N ASP K 162 " --> pdb=" O ILE K 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY K 163 " --> pdb=" O PHE K 159 " (cutoff:3.500A) Processing helix chain 'K' and resid 173 through 184 removed outlier: 4.444A pdb=" N GLU K 184 " --> pdb=" O PHE K 180 " (cutoff:3.500A) Processing helix chain 'K' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG K 193 " --> pdb=" O PRO K 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG K 199 " --> pdb=" O GLU K 195 " (cutoff:3.500A) Processing helix chain 'L' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE L 19 " --> pdb=" O GLN L 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA L 23 " --> pdb=" O ILE L 19 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N ILE L 26 " --> pdb=" O ARG L 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR L 29 " --> pdb=" O GLU L 25 " (cutoff:3.500A) Processing helix chain 'L' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE L 36 " --> pdb=" O TYR L 32 " (cutoff:3.500A) Processing helix chain 'L' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU L 89 " --> pdb=" O ASP L 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN L 91 " --> pdb=" O TRP L 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU L 92 " --> pdb=" O GLU L 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU L 93 " --> pdb=" O LEU L 89 " (cutoff:3.500A) removed outlier: 4.122A pdb=" N ARG L 94 " --> pdb=" O ASP L 90 " (cutoff:3.500A) Processing helix chain 'L' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU L 105 " --> pdb=" O LEU L 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL L 118 " --> pdb=" O PHE L 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE L 119 " --> pdb=" O GLU L 115 " (cutoff:3.500A) Processing helix chain 'L' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU L 148 " --> pdb=" O THR L 144 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N LEU L 149 " --> pdb=" O PRO L 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER L 157 " --> pdb=" O VAL L 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE L 158 " --> pdb=" O ARG L 154 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N ASP L 162 " --> pdb=" O ILE L 158 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N GLY L 163 " --> pdb=" O PHE L 159 " (cutoff:3.500A) Processing helix chain 'L' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU L 184 " --> pdb=" O PHE L 180 " (cutoff:3.500A) Processing helix chain 'L' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG L 193 " --> pdb=" O PRO L 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG L 199 " --> pdb=" O GLU L 195 " (cutoff:3.500A) Processing helix chain 'M' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE M 19 " --> pdb=" O GLN M 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA M 23 " --> pdb=" O ILE M 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE M 26 " --> pdb=" O ARG M 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR M 29 " --> pdb=" O GLU M 25 " (cutoff:3.500A) Processing helix chain 'M' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE M 36 " --> pdb=" O TYR M 32 " (cutoff:3.500A) Processing helix chain 'M' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU M 89 " --> pdb=" O ASP M 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN M 91 " --> pdb=" O TRP M 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU M 92 " --> pdb=" O GLU M 88 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N GLU M 93 " --> pdb=" O LEU M 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG M 94 " --> pdb=" O ASP M 90 " (cutoff:3.500A) Processing helix chain 'M' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU M 105 " --> pdb=" O LEU M 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL M 118 " --> pdb=" O PHE M 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE M 119 " --> pdb=" O GLU M 115 " (cutoff:3.500A) Processing helix chain 'M' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU M 148 " --> pdb=" O THR M 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU M 149 " --> pdb=" O PRO M 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER M 157 " --> pdb=" O VAL M 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE M 158 " --> pdb=" O ARG M 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP M 162 " --> pdb=" O ILE M 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY M 163 " --> pdb=" O PHE M 159 " (cutoff:3.500A) Processing helix chain 'M' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU M 184 " --> pdb=" O PHE M 180 " (cutoff:3.500A) Processing helix chain 'M' and resid 189 through 199 removed outlier: 3.795A pdb=" N ARG M 193 " --> pdb=" O PRO M 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG M 199 " --> pdb=" O GLU M 195 " (cutoff:3.500A) Processing helix chain 'N' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE N 19 " --> pdb=" O GLN N 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA N 23 " --> pdb=" O ILE N 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE N 26 " --> pdb=" O ARG N 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR N 29 " --> pdb=" O GLU N 25 " (cutoff:3.500A) Processing helix chain 'N' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE N 36 " --> pdb=" O TYR N 32 " (cutoff:3.500A) Processing helix chain 'N' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU N 89 " --> pdb=" O ASP N 85 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N ASN N 91 " --> pdb=" O TRP N 87 " (cutoff:3.500A) removed outlier: 4.771A pdb=" N LEU N 92 " --> pdb=" O GLU N 88 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N GLU N 93 " --> pdb=" O LEU N 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG N 94 " --> pdb=" O ASP N 90 " (cutoff:3.500A) Processing helix chain 'N' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU N 105 " --> pdb=" O LEU N 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL N 118 " --> pdb=" O PHE N 114 " (cutoff:3.500A) removed outlier: 3.818A pdb=" N ILE N 119 " --> pdb=" O GLU N 115 " (cutoff:3.500A) Processing helix chain 'N' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU N 148 " --> pdb=" O THR N 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU N 149 " --> pdb=" O PRO N 145 " (cutoff:3.500A) removed outlier: 3.827A pdb=" N SER N 157 " --> pdb=" O VAL N 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE N 158 " --> pdb=" O ARG N 154 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N ASP N 162 " --> pdb=" O ILE N 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY N 163 " --> pdb=" O PHE N 159 " (cutoff:3.500A) Processing helix chain 'N' and resid 173 through 184 removed outlier: 4.442A pdb=" N GLU N 184 " --> pdb=" O PHE N 180 " (cutoff:3.500A) Processing helix chain 'N' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG N 193 " --> pdb=" O PRO N 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG N 199 " --> pdb=" O GLU N 195 " (cutoff:3.500A) Processing helix chain 'O' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE O 19 " --> pdb=" O GLN O 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA O 23 " --> pdb=" O ILE O 19 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N ILE O 26 " --> pdb=" O ARG O 22 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N THR O 29 " --> pdb=" O GLU O 25 " (cutoff:3.500A) Processing helix chain 'O' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE O 36 " --> pdb=" O TYR O 32 " (cutoff:3.500A) Processing helix chain 'O' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU O 89 " --> pdb=" O ASP O 85 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N ASN O 91 " --> pdb=" O TRP O 87 " (cutoff:3.500A) removed outlier: 4.771A pdb=" N LEU O 92 " --> pdb=" O GLU O 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU O 93 " --> pdb=" O LEU O 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG O 94 " --> pdb=" O ASP O 90 " (cutoff:3.500A) Processing helix chain 'O' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU O 105 " --> pdb=" O LEU O 101 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N VAL O 118 " --> pdb=" O PHE O 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE O 119 " --> pdb=" O GLU O 115 " (cutoff:3.500A) Processing helix chain 'O' and resid 144 through 163 removed outlier: 3.959A pdb=" N LEU O 148 " --> pdb=" O THR O 144 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N LEU O 149 " --> pdb=" O PRO O 145 " (cutoff:3.500A) removed outlier: 3.827A pdb=" N SER O 157 " --> pdb=" O VAL O 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE O 158 " --> pdb=" O ARG O 154 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N ASP O 162 " --> pdb=" O ILE O 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY O 163 " --> pdb=" O PHE O 159 " (cutoff:3.500A) Processing helix chain 'O' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU O 184 " --> pdb=" O PHE O 180 " (cutoff:3.500A) Processing helix chain 'O' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG O 193 " --> pdb=" O PRO O 189 " (cutoff:3.500A) removed outlier: 4.712A pdb=" N ARG O 199 " --> pdb=" O GLU O 195 " (cutoff:3.500A) Processing helix chain 'P' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE P 19 " --> pdb=" O GLN P 15 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N ALA P 23 " --> pdb=" O ILE P 19 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N ILE P 26 " --> pdb=" O ARG P 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR P 29 " --> pdb=" O GLU P 25 " (cutoff:3.500A) Processing helix chain 'P' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE P 36 " --> pdb=" O TYR P 32 " (cutoff:3.500A) Processing helix chain 'P' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU P 89 " --> pdb=" O ASP P 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN P 91 " --> pdb=" O TRP P 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU P 92 " --> pdb=" O GLU P 88 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N GLU P 93 " --> pdb=" O LEU P 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG P 94 " --> pdb=" O ASP P 90 " (cutoff:3.500A) Processing helix chain 'P' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU P 105 " --> pdb=" O LEU P 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL P 118 " --> pdb=" O PHE P 114 " (cutoff:3.500A) removed outlier: 3.818A pdb=" N ILE P 119 " --> pdb=" O GLU P 115 " (cutoff:3.500A) Processing helix chain 'P' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU P 148 " --> pdb=" O THR P 144 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N LEU P 149 " --> pdb=" O PRO P 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER P 157 " --> pdb=" O VAL P 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ILE P 158 " --> pdb=" O ARG P 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP P 162 " --> pdb=" O ILE P 158 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N GLY P 163 " --> pdb=" O PHE P 159 " (cutoff:3.500A) Processing helix chain 'P' and resid 173 through 184 removed outlier: 4.442A pdb=" N GLU P 184 " --> pdb=" O PHE P 180 " (cutoff:3.500A) Processing helix chain 'P' and resid 189 through 199 removed outlier: 3.795A pdb=" N ARG P 193 " --> pdb=" O PRO P 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG P 199 " --> pdb=" O GLU P 195 " (cutoff:3.500A) Processing helix chain 'Q' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE Q 19 " --> pdb=" O GLN Q 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA Q 23 " --> pdb=" O ILE Q 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE Q 26 " --> pdb=" O ARG Q 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR Q 29 " --> pdb=" O GLU Q 25 " (cutoff:3.500A) Processing helix chain 'Q' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE Q 36 " --> pdb=" O TYR Q 32 " (cutoff:3.500A) Processing helix chain 'Q' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU Q 89 " --> pdb=" O ASP Q 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN Q 91 " --> pdb=" O TRP Q 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU Q 92 " --> pdb=" O GLU Q 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU Q 93 " --> pdb=" O LEU Q 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG Q 94 " --> pdb=" O ASP Q 90 " (cutoff:3.500A) Processing helix chain 'Q' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU Q 105 " --> pdb=" O LEU Q 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL Q 118 " --> pdb=" O PHE Q 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE Q 119 " --> pdb=" O GLU Q 115 " (cutoff:3.500A) Processing helix chain 'Q' and resid 144 through 163 removed outlier: 3.959A pdb=" N LEU Q 148 " --> pdb=" O THR Q 144 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N LEU Q 149 " --> pdb=" O PRO Q 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER Q 157 " --> pdb=" O VAL Q 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE Q 158 " --> pdb=" O ARG Q 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP Q 162 " --> pdb=" O ILE Q 158 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N GLY Q 163 " --> pdb=" O PHE Q 159 " (cutoff:3.500A) Processing helix chain 'Q' and resid 173 through 184 removed outlier: 4.442A pdb=" N GLU Q 184 " --> pdb=" O PHE Q 180 " (cutoff:3.500A) Processing helix chain 'Q' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG Q 193 " --> pdb=" O PRO Q 189 " (cutoff:3.500A) removed outlier: 4.712A pdb=" N ARG Q 199 " --> pdb=" O GLU Q 195 " (cutoff:3.500A) Processing helix chain 'R' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE R 19 " --> pdb=" O GLN R 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA R 23 " --> pdb=" O ILE R 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE R 26 " --> pdb=" O ARG R 22 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N THR R 29 " --> pdb=" O GLU R 25 " (cutoff:3.500A) Processing helix chain 'R' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE R 36 " --> pdb=" O TYR R 32 " (cutoff:3.500A) Processing helix chain 'R' and resid 85 through 95 removed outlier: 3.555A pdb=" N LEU R 89 " --> pdb=" O ASP R 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN R 91 " --> pdb=" O TRP R 87 " (cutoff:3.500A) removed outlier: 4.771A pdb=" N LEU R 92 " --> pdb=" O GLU R 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU R 93 " --> pdb=" O LEU R 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG R 94 " --> pdb=" O ASP R 90 " (cutoff:3.500A) Processing helix chain 'R' and resid 101 through 121 removed outlier: 3.780A pdb=" N GLU R 105 " --> pdb=" O LEU R 101 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N VAL R 118 " --> pdb=" O PHE R 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE R 119 " --> pdb=" O GLU R 115 " (cutoff:3.500A) Processing helix chain 'R' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU R 148 " --> pdb=" O THR R 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU R 149 " --> pdb=" O PRO R 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER R 157 " --> pdb=" O VAL R 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ILE R 158 " --> pdb=" O ARG R 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP R 162 " --> pdb=" O ILE R 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY R 163 " --> pdb=" O PHE R 159 " (cutoff:3.500A) Processing helix chain 'R' and resid 173 through 184 removed outlier: 4.442A pdb=" N GLU R 184 " --> pdb=" O PHE R 180 " (cutoff:3.500A) Processing helix chain 'R' and resid 189 through 199 removed outlier: 3.795A pdb=" N ARG R 193 " --> pdb=" O PRO R 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG R 199 " --> pdb=" O GLU R 195 " (cutoff:3.500A) Processing helix chain 'S' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE S 19 " --> pdb=" O GLN S 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA S 23 " --> pdb=" O ILE S 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE S 26 " --> pdb=" O ARG S 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR S 29 " --> pdb=" O GLU S 25 " (cutoff:3.500A) Processing helix chain 'S' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE S 36 " --> pdb=" O TYR S 32 " (cutoff:3.500A) Processing helix chain 'S' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU S 89 " --> pdb=" O ASP S 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN S 91 " --> pdb=" O TRP S 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU S 92 " --> pdb=" O GLU S 88 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N GLU S 93 " --> pdb=" O LEU S 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG S 94 " --> pdb=" O ASP S 90 " (cutoff:3.500A) Processing helix chain 'S' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU S 105 " --> pdb=" O LEU S 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL S 118 " --> pdb=" O PHE S 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE S 119 " --> pdb=" O GLU S 115 " (cutoff:3.500A) Processing helix chain 'S' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU S 148 " --> pdb=" O THR S 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU S 149 " --> pdb=" O PRO S 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER S 157 " --> pdb=" O VAL S 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE S 158 " --> pdb=" O ARG S 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP S 162 " --> pdb=" O ILE S 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY S 163 " --> pdb=" O PHE S 159 " (cutoff:3.500A) Processing helix chain 'S' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU S 184 " --> pdb=" O PHE S 180 " (cutoff:3.500A) Processing helix chain 'S' and resid 189 through 199 removed outlier: 3.795A pdb=" N ARG S 193 " --> pdb=" O PRO S 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG S 199 " --> pdb=" O GLU S 195 " (cutoff:3.500A) Processing helix chain 'T' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE T 19 " --> pdb=" O GLN T 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA T 23 " --> pdb=" O ILE T 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE T 26 " --> pdb=" O ARG T 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR T 29 " --> pdb=" O GLU T 25 " (cutoff:3.500A) Processing helix chain 'T' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE T 36 " --> pdb=" O TYR T 32 " (cutoff:3.500A) Processing helix chain 'T' and resid 85 through 95 removed outlier: 3.555A pdb=" N LEU T 89 " --> pdb=" O ASP T 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN T 91 " --> pdb=" O TRP T 87 " (cutoff:3.500A) removed outlier: 4.771A pdb=" N LEU T 92 " --> pdb=" O GLU T 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU T 93 " --> pdb=" O LEU T 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG T 94 " --> pdb=" O ASP T 90 " (cutoff:3.500A) Processing helix chain 'T' and resid 101 through 121 removed outlier: 3.778A pdb=" N GLU T 105 " --> pdb=" O LEU T 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL T 118 " --> pdb=" O PHE T 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE T 119 " --> pdb=" O GLU T 115 " (cutoff:3.500A) Processing helix chain 'T' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU T 148 " --> pdb=" O THR T 144 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N LEU T 149 " --> pdb=" O PRO T 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER T 157 " --> pdb=" O VAL T 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE T 158 " --> pdb=" O ARG T 154 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N ASP T 162 " --> pdb=" O ILE T 158 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N GLY T 163 " --> pdb=" O PHE T 159 " (cutoff:3.500A) Processing helix chain 'T' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU T 184 " --> pdb=" O PHE T 180 " (cutoff:3.500A) Processing helix chain 'T' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG T 193 " --> pdb=" O PRO T 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG T 199 " --> pdb=" O GLU T 195 " (cutoff:3.500A) Processing helix chain 'U' and resid 12 through 31 removed outlier: 3.956A pdb=" N ILE U 19 " --> pdb=" O GLN U 15 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N ALA U 23 " --> pdb=" O ILE U 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE U 26 " --> pdb=" O ARG U 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR U 29 " --> pdb=" O GLU U 25 " (cutoff:3.500A) Processing helix chain 'U' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE U 36 " --> pdb=" O TYR U 32 " (cutoff:3.500A) Processing helix chain 'U' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU U 89 " --> pdb=" O ASP U 85 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N ASN U 91 " --> pdb=" O TRP U 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU U 92 " --> pdb=" O GLU U 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU U 93 " --> pdb=" O LEU U 89 " (cutoff:3.500A) removed outlier: 4.122A pdb=" N ARG U 94 " --> pdb=" O ASP U 90 " (cutoff:3.500A) Processing helix chain 'U' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU U 105 " --> pdb=" O LEU U 101 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N VAL U 118 " --> pdb=" O PHE U 114 " (cutoff:3.500A) removed outlier: 3.818A pdb=" N ILE U 119 " --> pdb=" O GLU U 115 " (cutoff:3.500A) Processing helix chain 'U' and resid 144 through 163 removed outlier: 3.959A pdb=" N LEU U 148 " --> pdb=" O THR U 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU U 149 " --> pdb=" O PRO U 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER U 157 " --> pdb=" O VAL U 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE U 158 " --> pdb=" O ARG U 154 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N ASP U 162 " --> pdb=" O ILE U 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY U 163 " --> pdb=" O PHE U 159 " (cutoff:3.500A) Processing helix chain 'U' and resid 173 through 184 removed outlier: 4.444A pdb=" N GLU U 184 " --> pdb=" O PHE U 180 " (cutoff:3.500A) Processing helix chain 'U' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG U 193 " --> pdb=" O PRO U 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG U 199 " --> pdb=" O GLU U 195 " (cutoff:3.500A) Processing helix chain 'V' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE V 19 " --> pdb=" O GLN V 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA V 23 " --> pdb=" O ILE V 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE V 26 " --> pdb=" O ARG V 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR V 29 " --> pdb=" O GLU V 25 " (cutoff:3.500A) Processing helix chain 'V' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE V 36 " --> pdb=" O TYR V 32 " (cutoff:3.500A) Processing helix chain 'V' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU V 89 " --> pdb=" O ASP V 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN V 91 " --> pdb=" O TRP V 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU V 92 " --> pdb=" O GLU V 88 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N GLU V 93 " --> pdb=" O LEU V 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG V 94 " --> pdb=" O ASP V 90 " (cutoff:3.500A) Processing helix chain 'V' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU V 105 " --> pdb=" O LEU V 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL V 118 " --> pdb=" O PHE V 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE V 119 " --> pdb=" O GLU V 115 " (cutoff:3.500A) Processing helix chain 'V' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU V 148 " --> pdb=" O THR V 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU V 149 " --> pdb=" O PRO V 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER V 157 " --> pdb=" O VAL V 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE V 158 " --> pdb=" O ARG V 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP V 162 " --> pdb=" O ILE V 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY V 163 " --> pdb=" O PHE V 159 " (cutoff:3.500A) Processing helix chain 'V' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU V 184 " --> pdb=" O PHE V 180 " (cutoff:3.500A) Processing helix chain 'V' and resid 189 through 199 removed outlier: 3.795A pdb=" N ARG V 193 " --> pdb=" O PRO V 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG V 199 " --> pdb=" O GLU V 195 " (cutoff:3.500A) Processing helix chain 'W' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE W 19 " --> pdb=" O GLN W 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA W 23 " --> pdb=" O ILE W 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE W 26 " --> pdb=" O ARG W 22 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N THR W 29 " --> pdb=" O GLU W 25 " (cutoff:3.500A) Processing helix chain 'W' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE W 36 " --> pdb=" O TYR W 32 " (cutoff:3.500A) Processing helix chain 'W' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU W 89 " --> pdb=" O ASP W 85 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N ASN W 91 " --> pdb=" O TRP W 87 " (cutoff:3.500A) removed outlier: 4.771A pdb=" N LEU W 92 " --> pdb=" O GLU W 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU W 93 " --> pdb=" O LEU W 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG W 94 " --> pdb=" O ASP W 90 " (cutoff:3.500A) Processing helix chain 'W' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU W 105 " --> pdb=" O LEU W 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL W 118 " --> pdb=" O PHE W 114 " (cutoff:3.500A) removed outlier: 3.818A pdb=" N ILE W 119 " --> pdb=" O GLU W 115 " (cutoff:3.500A) Processing helix chain 'W' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU W 148 " --> pdb=" O THR W 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU W 149 " --> pdb=" O PRO W 145 " (cutoff:3.500A) removed outlier: 3.827A pdb=" N SER W 157 " --> pdb=" O VAL W 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ILE W 158 " --> pdb=" O ARG W 154 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N ASP W 162 " --> pdb=" O ILE W 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY W 163 " --> pdb=" O PHE W 159 " (cutoff:3.500A) Processing helix chain 'W' and resid 173 through 184 removed outlier: 4.442A pdb=" N GLU W 184 " --> pdb=" O PHE W 180 " (cutoff:3.500A) Processing helix chain 'W' and resid 189 through 199 removed outlier: 3.795A pdb=" N ARG W 193 " --> pdb=" O PRO W 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG W 199 " --> pdb=" O GLU W 195 " (cutoff:3.500A) Processing helix chain 'X' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE X 19 " --> pdb=" O GLN X 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA X 23 " --> pdb=" O ILE X 19 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N ILE X 26 " --> pdb=" O ARG X 22 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N THR X 29 " --> pdb=" O GLU X 25 " (cutoff:3.500A) Processing helix chain 'X' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE X 36 " --> pdb=" O TYR X 32 " (cutoff:3.500A) Processing helix chain 'X' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU X 89 " --> pdb=" O ASP X 85 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N ASN X 91 " --> pdb=" O TRP X 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU X 92 " --> pdb=" O GLU X 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU X 93 " --> pdb=" O LEU X 89 " (cutoff:3.500A) removed outlier: 4.122A pdb=" N ARG X 94 " --> pdb=" O ASP X 90 " (cutoff:3.500A) Processing helix chain 'X' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU X 105 " --> pdb=" O LEU X 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL X 118 " --> pdb=" O PHE X 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE X 119 " --> pdb=" O GLU X 115 " (cutoff:3.500A) Processing helix chain 'X' and resid 144 through 163 removed outlier: 3.959A pdb=" N LEU X 148 " --> pdb=" O THR X 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU X 149 " --> pdb=" O PRO X 145 " (cutoff:3.500A) removed outlier: 3.827A pdb=" N SER X 157 " --> pdb=" O VAL X 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE X 158 " --> pdb=" O ARG X 154 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N ASP X 162 " --> pdb=" O ILE X 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY X 163 " --> pdb=" O PHE X 159 " (cutoff:3.500A) Processing helix chain 'X' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU X 184 " --> pdb=" O PHE X 180 " (cutoff:3.500A) Processing helix chain 'X' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG X 193 " --> pdb=" O PRO X 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG X 199 " --> pdb=" O GLU X 195 " (cutoff:3.500A) Processing helix chain 'Y' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE Y 19 " --> pdb=" O GLN Y 15 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N ALA Y 23 " --> pdb=" O ILE Y 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE Y 26 " --> pdb=" O ARG Y 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR Y 29 " --> pdb=" O GLU Y 25 " (cutoff:3.500A) Processing helix chain 'Y' and resid 32 through 37 removed outlier: 4.546A pdb=" N PHE Y 36 " --> pdb=" O TYR Y 32 " (cutoff:3.500A) Processing helix chain 'Y' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU Y 89 " --> pdb=" O ASP Y 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN Y 91 " --> pdb=" O TRP Y 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU Y 92 " --> pdb=" O GLU Y 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU Y 93 " --> pdb=" O LEU Y 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG Y 94 " --> pdb=" O ASP Y 90 " (cutoff:3.500A) Processing helix chain 'Y' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU Y 105 " --> pdb=" O LEU Y 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL Y 118 " --> pdb=" O PHE Y 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE Y 119 " --> pdb=" O GLU Y 115 " (cutoff:3.500A) Processing helix chain 'Y' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU Y 148 " --> pdb=" O THR Y 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU Y 149 " --> pdb=" O PRO Y 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER Y 157 " --> pdb=" O VAL Y 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE Y 158 " --> pdb=" O ARG Y 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP Y 162 " --> pdb=" O ILE Y 158 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N GLY Y 163 " --> pdb=" O PHE Y 159 " (cutoff:3.500A) Processing helix chain 'Y' and resid 173 through 184 removed outlier: 4.442A pdb=" N GLU Y 184 " --> pdb=" O PHE Y 180 " (cutoff:3.500A) Processing helix chain 'Y' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG Y 193 " --> pdb=" O PRO Y 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG Y 199 " --> pdb=" O GLU Y 195 " (cutoff:3.500A) Processing helix chain 'Z' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE Z 19 " --> pdb=" O GLN Z 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA Z 23 " --> pdb=" O ILE Z 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE Z 26 " --> pdb=" O ARG Z 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR Z 29 " --> pdb=" O GLU Z 25 " (cutoff:3.500A) Processing helix chain 'Z' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE Z 36 " --> pdb=" O TYR Z 32 " (cutoff:3.500A) Processing helix chain 'Z' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU Z 89 " --> pdb=" O ASP Z 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN Z 91 " --> pdb=" O TRP Z 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU Z 92 " --> pdb=" O GLU Z 88 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N GLU Z 93 " --> pdb=" O LEU Z 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG Z 94 " --> pdb=" O ASP Z 90 " (cutoff:3.500A) Processing helix chain 'Z' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU Z 105 " --> pdb=" O LEU Z 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL Z 118 " --> pdb=" O PHE Z 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE Z 119 " --> pdb=" O GLU Z 115 " (cutoff:3.500A) Processing helix chain 'Z' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU Z 148 " --> pdb=" O THR Z 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU Z 149 " --> pdb=" O PRO Z 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER Z 157 " --> pdb=" O VAL Z 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE Z 158 " --> pdb=" O ARG Z 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP Z 162 " --> pdb=" O ILE Z 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY Z 163 " --> pdb=" O PHE Z 159 " (cutoff:3.500A) Processing helix chain 'Z' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU Z 184 " --> pdb=" O PHE Z 180 " (cutoff:3.500A) Processing helix chain 'Z' and resid 189 through 199 removed outlier: 3.795A pdb=" N ARG Z 193 " --> pdb=" O PRO Z 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG Z 199 " --> pdb=" O GLU Z 195 " (cutoff:3.500A) Processing helix chain '0' and resid 12 through 31 removed outlier: 3.956A pdb=" N ILE 0 19 " --> pdb=" O GLN 0 15 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N ALA 0 23 " --> pdb=" O ILE 0 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE 0 26 " --> pdb=" O ARG 0 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR 0 29 " --> pdb=" O GLU 0 25 " (cutoff:3.500A) Processing helix chain '0' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE 0 36 " --> pdb=" O TYR 0 32 " (cutoff:3.500A) Processing helix chain '0' and resid 85 through 95 removed outlier: 3.555A pdb=" N LEU 0 89 " --> pdb=" O ASP 0 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN 0 91 " --> pdb=" O TRP 0 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU 0 92 " --> pdb=" O GLU 0 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU 0 93 " --> pdb=" O LEU 0 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG 0 94 " --> pdb=" O ASP 0 90 " (cutoff:3.500A) Processing helix chain '0' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU 0 105 " --> pdb=" O LEU 0 101 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N VAL 0 118 " --> pdb=" O PHE 0 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE 0 119 " --> pdb=" O GLU 0 115 " (cutoff:3.500A) Processing helix chain '0' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU 0 148 " --> pdb=" O THR 0 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU 0 149 " --> pdb=" O PRO 0 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER 0 157 " --> pdb=" O VAL 0 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE 0 158 " --> pdb=" O ARG 0 154 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N ASP 0 162 " --> pdb=" O ILE 0 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY 0 163 " --> pdb=" O PHE 0 159 " (cutoff:3.500A) Processing helix chain '0' and resid 173 through 184 removed outlier: 4.444A pdb=" N GLU 0 184 " --> pdb=" O PHE 0 180 " (cutoff:3.500A) Processing helix chain '0' and resid 189 through 199 removed outlier: 3.795A pdb=" N ARG 0 193 " --> pdb=" O PRO 0 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG 0 199 " --> pdb=" O GLU 0 195 " (cutoff:3.500A) Processing helix chain '1' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE 1 19 " --> pdb=" O GLN 1 15 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N ALA 1 23 " --> pdb=" O ILE 1 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE 1 26 " --> pdb=" O ARG 1 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR 1 29 " --> pdb=" O GLU 1 25 " (cutoff:3.500A) Processing helix chain '1' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE 1 36 " --> pdb=" O TYR 1 32 " (cutoff:3.500A) Processing helix chain '1' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU 1 89 " --> pdb=" O ASP 1 85 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N ASN 1 91 " --> pdb=" O TRP 1 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU 1 92 " --> pdb=" O GLU 1 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU 1 93 " --> pdb=" O LEU 1 89 " (cutoff:3.500A) removed outlier: 4.122A pdb=" N ARG 1 94 " --> pdb=" O ASP 1 90 " (cutoff:3.500A) Processing helix chain '1' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU 1 105 " --> pdb=" O LEU 1 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL 1 118 " --> pdb=" O PHE 1 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE 1 119 " --> pdb=" O GLU 1 115 " (cutoff:3.500A) Processing helix chain '1' and resid 144 through 163 removed outlier: 3.959A pdb=" N LEU 1 148 " --> pdb=" O THR 1 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU 1 149 " --> pdb=" O PRO 1 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER 1 157 " --> pdb=" O VAL 1 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE 1 158 " --> pdb=" O ARG 1 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP 1 162 " --> pdb=" O ILE 1 158 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N GLY 1 163 " --> pdb=" O PHE 1 159 " (cutoff:3.500A) Processing helix chain '1' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU 1 184 " --> pdb=" O PHE 1 180 " (cutoff:3.500A) Processing helix chain '1' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG 1 193 " --> pdb=" O PRO 1 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG 1 199 " --> pdb=" O GLU 1 195 " (cutoff:3.500A) Processing helix chain '2' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE 2 19 " --> pdb=" O GLN 2 15 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N ALA 2 23 " --> pdb=" O ILE 2 19 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N ILE 2 26 " --> pdb=" O ARG 2 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR 2 29 " --> pdb=" O GLU 2 25 " (cutoff:3.500A) Processing helix chain '2' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE 2 36 " --> pdb=" O TYR 2 32 " (cutoff:3.500A) Processing helix chain '2' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU 2 89 " --> pdb=" O ASP 2 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN 2 91 " --> pdb=" O TRP 2 87 " (cutoff:3.500A) removed outlier: 4.771A pdb=" N LEU 2 92 " --> pdb=" O GLU 2 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU 2 93 " --> pdb=" O LEU 2 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG 2 94 " --> pdb=" O ASP 2 90 " (cutoff:3.500A) Processing helix chain '2' and resid 101 through 121 removed outlier: 3.780A pdb=" N GLU 2 105 " --> pdb=" O LEU 2 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL 2 118 " --> pdb=" O PHE 2 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE 2 119 " --> pdb=" O GLU 2 115 " (cutoff:3.500A) Processing helix chain '2' and resid 144 through 163 removed outlier: 3.959A pdb=" N LEU 2 148 " --> pdb=" O THR 2 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU 2 149 " --> pdb=" O PRO 2 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER 2 157 " --> pdb=" O VAL 2 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE 2 158 " --> pdb=" O ARG 2 154 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N ASP 2 162 " --> pdb=" O ILE 2 158 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N GLY 2 163 " --> pdb=" O PHE 2 159 " (cutoff:3.500A) Processing helix chain '2' and resid 173 through 184 removed outlier: 4.444A pdb=" N GLU 2 184 " --> pdb=" O PHE 2 180 " (cutoff:3.500A) Processing helix chain '2' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG 2 193 " --> pdb=" O PRO 2 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG 2 199 " --> pdb=" O GLU 2 195 " (cutoff:3.500A) Processing helix chain '3' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE 3 19 " --> pdb=" O GLN 3 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA 3 23 " --> pdb=" O ILE 3 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE 3 26 " --> pdb=" O ARG 3 22 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N THR 3 29 " --> pdb=" O GLU 3 25 " (cutoff:3.500A) Processing helix chain '3' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE 3 36 " --> pdb=" O TYR 3 32 " (cutoff:3.500A) Processing helix chain '3' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU 3 89 " --> pdb=" O ASP 3 85 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N ASN 3 91 " --> pdb=" O TRP 3 87 " (cutoff:3.500A) removed outlier: 4.771A pdb=" N LEU 3 92 " --> pdb=" O GLU 3 88 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N GLU 3 93 " --> pdb=" O LEU 3 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG 3 94 " --> pdb=" O ASP 3 90 " (cutoff:3.500A) Processing helix chain '3' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU 3 105 " --> pdb=" O LEU 3 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL 3 118 " --> pdb=" O PHE 3 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE 3 119 " --> pdb=" O GLU 3 115 " (cutoff:3.500A) Processing helix chain '3' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU 3 148 " --> pdb=" O THR 3 144 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N LEU 3 149 " --> pdb=" O PRO 3 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER 3 157 " --> pdb=" O VAL 3 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE 3 158 " --> pdb=" O ARG 3 154 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N ASP 3 162 " --> pdb=" O ILE 3 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY 3 163 " --> pdb=" O PHE 3 159 " (cutoff:3.500A) Processing helix chain '3' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU 3 184 " --> pdb=" O PHE 3 180 " (cutoff:3.500A) Processing helix chain '3' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG 3 193 " --> pdb=" O PRO 3 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG 3 199 " --> pdb=" O GLU 3 195 " (cutoff:3.500A) Processing helix chain '4' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE 4 19 " --> pdb=" O GLN 4 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA 4 23 " --> pdb=" O ILE 4 19 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N ILE 4 26 " --> pdb=" O ARG 4 22 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N THR 4 29 " --> pdb=" O GLU 4 25 " (cutoff:3.500A) Processing helix chain '4' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE 4 36 " --> pdb=" O TYR 4 32 " (cutoff:3.500A) Processing helix chain '4' and resid 85 through 95 removed outlier: 3.555A pdb=" N LEU 4 89 " --> pdb=" O ASP 4 85 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N ASN 4 91 " --> pdb=" O TRP 4 87 " (cutoff:3.500A) removed outlier: 4.771A pdb=" N LEU 4 92 " --> pdb=" O GLU 4 88 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N GLU 4 93 " --> pdb=" O LEU 4 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG 4 94 " --> pdb=" O ASP 4 90 " (cutoff:3.500A) Processing helix chain '4' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU 4 105 " --> pdb=" O LEU 4 101 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N VAL 4 118 " --> pdb=" O PHE 4 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE 4 119 " --> pdb=" O GLU 4 115 " (cutoff:3.500A) Processing helix chain '4' and resid 144 through 163 removed outlier: 3.959A pdb=" N LEU 4 148 " --> pdb=" O THR 4 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU 4 149 " --> pdb=" O PRO 4 145 " (cutoff:3.500A) removed outlier: 3.827A pdb=" N SER 4 157 " --> pdb=" O VAL 4 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ILE 4 158 " --> pdb=" O ARG 4 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP 4 162 " --> pdb=" O ILE 4 158 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N GLY 4 163 " --> pdb=" O PHE 4 159 " (cutoff:3.500A) Processing helix chain '4' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU 4 184 " --> pdb=" O PHE 4 180 " (cutoff:3.500A) Processing helix chain '4' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG 4 193 " --> pdb=" O PRO 4 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG 4 199 " --> pdb=" O GLU 4 195 " (cutoff:3.500A) Processing helix chain '5' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE 5 19 " --> pdb=" O GLN 5 15 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N ALA 5 23 " --> pdb=" O ILE 5 19 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N ILE 5 26 " --> pdb=" O ARG 5 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR 5 29 " --> pdb=" O GLU 5 25 " (cutoff:3.500A) Processing helix chain '5' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE 5 36 " --> pdb=" O TYR 5 32 " (cutoff:3.500A) Processing helix chain '5' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU 5 89 " --> pdb=" O ASP 5 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN 5 91 " --> pdb=" O TRP 5 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU 5 92 " --> pdb=" O GLU 5 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU 5 93 " --> pdb=" O LEU 5 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG 5 94 " --> pdb=" O ASP 5 90 " (cutoff:3.500A) Processing helix chain '5' and resid 101 through 121 removed outlier: 3.780A pdb=" N GLU 5 105 " --> pdb=" O LEU 5 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL 5 118 " --> pdb=" O PHE 5 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE 5 119 " --> pdb=" O GLU 5 115 " (cutoff:3.500A) Processing helix chain '5' and resid 144 through 163 removed outlier: 3.959A pdb=" N LEU 5 148 " --> pdb=" O THR 5 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU 5 149 " --> pdb=" O PRO 5 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER 5 157 " --> pdb=" O VAL 5 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE 5 158 " --> pdb=" O ARG 5 154 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N ASP 5 162 " --> pdb=" O ILE 5 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY 5 163 " --> pdb=" O PHE 5 159 " (cutoff:3.500A) Processing helix chain '5' and resid 173 through 184 removed outlier: 4.444A pdb=" N GLU 5 184 " --> pdb=" O PHE 5 180 " (cutoff:3.500A) Processing helix chain '5' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG 5 193 " --> pdb=" O PRO 5 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG 5 199 " --> pdb=" O GLU 5 195 " (cutoff:3.500A) Processing helix chain '6' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE 6 19 " --> pdb=" O GLN 6 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA 6 23 " --> pdb=" O ILE 6 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE 6 26 " --> pdb=" O ARG 6 22 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N THR 6 29 " --> pdb=" O GLU 6 25 " (cutoff:3.500A) Processing helix chain '6' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE 6 36 " --> pdb=" O TYR 6 32 " (cutoff:3.500A) Processing helix chain '6' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU 6 89 " --> pdb=" O ASP 6 85 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N ASN 6 91 " --> pdb=" O TRP 6 87 " (cutoff:3.500A) removed outlier: 4.771A pdb=" N LEU 6 92 " --> pdb=" O GLU 6 88 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N GLU 6 93 " --> pdb=" O LEU 6 89 " (cutoff:3.500A) removed outlier: 4.122A pdb=" N ARG 6 94 " --> pdb=" O ASP 6 90 " (cutoff:3.500A) Processing helix chain '6' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU 6 105 " --> pdb=" O LEU 6 101 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N VAL 6 118 " --> pdb=" O PHE 6 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE 6 119 " --> pdb=" O GLU 6 115 " (cutoff:3.500A) Processing helix chain '6' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU 6 148 " --> pdb=" O THR 6 144 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N LEU 6 149 " --> pdb=" O PRO 6 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER 6 157 " --> pdb=" O VAL 6 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE 6 158 " --> pdb=" O ARG 6 154 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N ASP 6 162 " --> pdb=" O ILE 6 158 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N GLY 6 163 " --> pdb=" O PHE 6 159 " (cutoff:3.500A) Processing helix chain '6' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU 6 184 " --> pdb=" O PHE 6 180 " (cutoff:3.500A) Processing helix chain '6' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG 6 193 " --> pdb=" O PRO 6 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG 6 199 " --> pdb=" O GLU 6 195 " (cutoff:3.500A) Processing helix chain '7' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE 7 19 " --> pdb=" O GLN 7 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA 7 23 " --> pdb=" O ILE 7 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE 7 26 " --> pdb=" O ARG 7 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR 7 29 " --> pdb=" O GLU 7 25 " (cutoff:3.500A) Processing helix chain '7' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE 7 36 " --> pdb=" O TYR 7 32 " (cutoff:3.500A) Processing helix chain '7' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU 7 89 " --> pdb=" O ASP 7 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN 7 91 " --> pdb=" O TRP 7 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU 7 92 " --> pdb=" O GLU 7 88 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N GLU 7 93 " --> pdb=" O LEU 7 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG 7 94 " --> pdb=" O ASP 7 90 " (cutoff:3.500A) Processing helix chain '7' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU 7 105 " --> pdb=" O LEU 7 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL 7 118 " --> pdb=" O PHE 7 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE 7 119 " --> pdb=" O GLU 7 115 " (cutoff:3.500A) Processing helix chain '7' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU 7 148 " --> pdb=" O THR 7 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU 7 149 " --> pdb=" O PRO 7 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER 7 157 " --> pdb=" O VAL 7 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE 7 158 " --> pdb=" O ARG 7 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP 7 162 " --> pdb=" O ILE 7 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY 7 163 " --> pdb=" O PHE 7 159 " (cutoff:3.500A) Processing helix chain '7' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU 7 184 " --> pdb=" O PHE 7 180 " (cutoff:3.500A) Processing helix chain '7' and resid 189 through 199 removed outlier: 3.795A pdb=" N ARG 7 193 " --> pdb=" O PRO 7 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG 7 199 " --> pdb=" O GLU 7 195 " (cutoff:3.500A) Processing helix chain '8' and resid 12 through 31 removed outlier: 3.956A pdb=" N ILE 8 19 " --> pdb=" O GLN 8 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA 8 23 " --> pdb=" O ILE 8 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE 8 26 " --> pdb=" O ARG 8 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR 8 29 " --> pdb=" O GLU 8 25 " (cutoff:3.500A) Processing helix chain '8' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE 8 36 " --> pdb=" O TYR 8 32 " (cutoff:3.500A) Processing helix chain '8' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU 8 89 " --> pdb=" O ASP 8 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN 8 91 " --> pdb=" O TRP 8 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU 8 92 " --> pdb=" O GLU 8 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU 8 93 " --> pdb=" O LEU 8 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG 8 94 " --> pdb=" O ASP 8 90 " (cutoff:3.500A) Processing helix chain '8' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU 8 105 " --> pdb=" O LEU 8 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL 8 118 " --> pdb=" O PHE 8 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE 8 119 " --> pdb=" O GLU 8 115 " (cutoff:3.500A) Processing helix chain '8' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU 8 148 " --> pdb=" O THR 8 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU 8 149 " --> pdb=" O PRO 8 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER 8 157 " --> pdb=" O VAL 8 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE 8 158 " --> pdb=" O ARG 8 154 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N ASP 8 162 " --> pdb=" O ILE 8 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY 8 163 " --> pdb=" O PHE 8 159 " (cutoff:3.500A) Processing helix chain '8' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU 8 184 " --> pdb=" O PHE 8 180 " (cutoff:3.500A) Processing helix chain '8' and resid 189 through 199 removed outlier: 3.795A pdb=" N ARG 8 193 " --> pdb=" O PRO 8 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG 8 199 " --> pdb=" O GLU 8 195 " (cutoff:3.500A) Processing helix chain '9' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE 9 19 " --> pdb=" O GLN 9 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA 9 23 " --> pdb=" O ILE 9 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE 9 26 " --> pdb=" O ARG 9 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR 9 29 " --> pdb=" O GLU 9 25 " (cutoff:3.500A) Processing helix chain '9' and resid 32 through 37 removed outlier: 4.548A pdb=" N PHE 9 36 " --> pdb=" O TYR 9 32 " (cutoff:3.500A) Processing helix chain '9' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU 9 89 " --> pdb=" O ASP 9 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN 9 91 " --> pdb=" O TRP 9 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU 9 92 " --> pdb=" O GLU 9 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU 9 93 " --> pdb=" O LEU 9 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG 9 94 " --> pdb=" O ASP 9 90 " (cutoff:3.500A) Processing helix chain '9' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU 9 105 " --> pdb=" O LEU 9 101 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N VAL 9 118 " --> pdb=" O PHE 9 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE 9 119 " --> pdb=" O GLU 9 115 " (cutoff:3.500A) Processing helix chain '9' and resid 144 through 163 removed outlier: 3.959A pdb=" N LEU 9 148 " --> pdb=" O THR 9 144 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N LEU 9 149 " --> pdb=" O PRO 9 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER 9 157 " --> pdb=" O VAL 9 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE 9 158 " --> pdb=" O ARG 9 154 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N ASP 9 162 " --> pdb=" O ILE 9 158 " (cutoff:3.500A) removed outlier: 4.616A pdb=" N GLY 9 163 " --> pdb=" O PHE 9 159 " (cutoff:3.500A) Processing helix chain '9' and resid 173 through 184 removed outlier: 4.444A pdb=" N GLU 9 184 " --> pdb=" O PHE 9 180 " (cutoff:3.500A) Processing helix chain '9' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG 9 193 " --> pdb=" O PRO 9 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG 9 199 " --> pdb=" O GLU 9 195 " (cutoff:3.500A) Processing helix chain 'a' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE a 19 " --> pdb=" O GLN a 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA a 23 " --> pdb=" O ILE a 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE a 26 " --> pdb=" O ARG a 22 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N THR a 29 " --> pdb=" O GLU a 25 " (cutoff:3.500A) Processing helix chain 'a' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE a 36 " --> pdb=" O TYR a 32 " (cutoff:3.500A) Processing helix chain 'a' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU a 89 " --> pdb=" O ASP a 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN a 91 " --> pdb=" O TRP a 87 " (cutoff:3.500A) removed outlier: 4.771A pdb=" N LEU a 92 " --> pdb=" O GLU a 88 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N GLU a 93 " --> pdb=" O LEU a 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG a 94 " --> pdb=" O ASP a 90 " (cutoff:3.500A) Processing helix chain 'a' and resid 101 through 121 removed outlier: 3.780A pdb=" N GLU a 105 " --> pdb=" O LEU a 101 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N VAL a 118 " --> pdb=" O PHE a 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE a 119 " --> pdb=" O GLU a 115 " (cutoff:3.500A) Processing helix chain 'a' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU a 148 " --> pdb=" O THR a 144 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N LEU a 149 " --> pdb=" O PRO a 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER a 157 " --> pdb=" O VAL a 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE a 158 " --> pdb=" O ARG a 154 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N ASP a 162 " --> pdb=" O ILE a 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY a 163 " --> pdb=" O PHE a 159 " (cutoff:3.500A) Processing helix chain 'a' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU a 184 " --> pdb=" O PHE a 180 " (cutoff:3.500A) Processing helix chain 'a' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG a 193 " --> pdb=" O PRO a 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG a 199 " --> pdb=" O GLU a 195 " (cutoff:3.500A) Processing helix chain 'b' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE b 19 " --> pdb=" O GLN b 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA b 23 " --> pdb=" O ILE b 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE b 26 " --> pdb=" O ARG b 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR b 29 " --> pdb=" O GLU b 25 " (cutoff:3.500A) Processing helix chain 'b' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE b 36 " --> pdb=" O TYR b 32 " (cutoff:3.500A) Processing helix chain 'b' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU b 89 " --> pdb=" O ASP b 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN b 91 " --> pdb=" O TRP b 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU b 92 " --> pdb=" O GLU b 88 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N GLU b 93 " --> pdb=" O LEU b 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG b 94 " --> pdb=" O ASP b 90 " (cutoff:3.500A) Processing helix chain 'b' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU b 105 " --> pdb=" O LEU b 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL b 118 " --> pdb=" O PHE b 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE b 119 " --> pdb=" O GLU b 115 " (cutoff:3.500A) Processing helix chain 'b' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU b 148 " --> pdb=" O THR b 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU b 149 " --> pdb=" O PRO b 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER b 157 " --> pdb=" O VAL b 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE b 158 " --> pdb=" O ARG b 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP b 162 " --> pdb=" O ILE b 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY b 163 " --> pdb=" O PHE b 159 " (cutoff:3.500A) Processing helix chain 'b' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU b 184 " --> pdb=" O PHE b 180 " (cutoff:3.500A) Processing helix chain 'b' and resid 189 through 199 removed outlier: 3.795A pdb=" N ARG b 193 " --> pdb=" O PRO b 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG b 199 " --> pdb=" O GLU b 195 " (cutoff:3.500A) Processing helix chain 'c' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE c 19 " --> pdb=" O GLN c 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA c 23 " --> pdb=" O ILE c 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE c 26 " --> pdb=" O ARG c 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR c 29 " --> pdb=" O GLU c 25 " (cutoff:3.500A) Processing helix chain 'c' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE c 36 " --> pdb=" O TYR c 32 " (cutoff:3.500A) Processing helix chain 'c' and resid 85 through 95 removed outlier: 3.555A pdb=" N LEU c 89 " --> pdb=" O ASP c 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN c 91 " --> pdb=" O TRP c 87 " (cutoff:3.500A) removed outlier: 4.771A pdb=" N LEU c 92 " --> pdb=" O GLU c 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU c 93 " --> pdb=" O LEU c 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG c 94 " --> pdb=" O ASP c 90 " (cutoff:3.500A) Processing helix chain 'c' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU c 105 " --> pdb=" O LEU c 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL c 118 " --> pdb=" O PHE c 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE c 119 " --> pdb=" O GLU c 115 " (cutoff:3.500A) Processing helix chain 'c' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU c 148 " --> pdb=" O THR c 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU c 149 " --> pdb=" O PRO c 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER c 157 " --> pdb=" O VAL c 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE c 158 " --> pdb=" O ARG c 154 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N ASP c 162 " --> pdb=" O ILE c 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY c 163 " --> pdb=" O PHE c 159 " (cutoff:3.500A) Processing helix chain 'c' and resid 173 through 184 removed outlier: 4.442A pdb=" N GLU c 184 " --> pdb=" O PHE c 180 " (cutoff:3.500A) Processing helix chain 'c' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG c 193 " --> pdb=" O PRO c 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG c 199 " --> pdb=" O GLU c 195 " (cutoff:3.500A) Processing helix chain 'd' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE d 19 " --> pdb=" O GLN d 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA d 23 " --> pdb=" O ILE d 19 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N ILE d 26 " --> pdb=" O ARG d 22 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N THR d 29 " --> pdb=" O GLU d 25 " (cutoff:3.500A) Processing helix chain 'd' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE d 36 " --> pdb=" O TYR d 32 " (cutoff:3.500A) Processing helix chain 'd' and resid 85 through 95 removed outlier: 3.555A pdb=" N LEU d 89 " --> pdb=" O ASP d 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN d 91 " --> pdb=" O TRP d 87 " (cutoff:3.500A) removed outlier: 4.771A pdb=" N LEU d 92 " --> pdb=" O GLU d 88 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N GLU d 93 " --> pdb=" O LEU d 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG d 94 " --> pdb=" O ASP d 90 " (cutoff:3.500A) Processing helix chain 'd' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU d 105 " --> pdb=" O LEU d 101 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N VAL d 118 " --> pdb=" O PHE d 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE d 119 " --> pdb=" O GLU d 115 " (cutoff:3.500A) Processing helix chain 'd' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU d 148 " --> pdb=" O THR d 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU d 149 " --> pdb=" O PRO d 145 " (cutoff:3.500A) removed outlier: 3.827A pdb=" N SER d 157 " --> pdb=" O VAL d 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ILE d 158 " --> pdb=" O ARG d 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP d 162 " --> pdb=" O ILE d 158 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N GLY d 163 " --> pdb=" O PHE d 159 " (cutoff:3.500A) Processing helix chain 'd' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU d 184 " --> pdb=" O PHE d 180 " (cutoff:3.500A) Processing helix chain 'd' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG d 193 " --> pdb=" O PRO d 189 " (cutoff:3.500A) removed outlier: 4.712A pdb=" N ARG d 199 " --> pdb=" O GLU d 195 " (cutoff:3.500A) Processing helix chain 'e' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE e 19 " --> pdb=" O GLN e 15 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N ALA e 23 " --> pdb=" O ILE e 19 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N ILE e 26 " --> pdb=" O ARG e 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR e 29 " --> pdb=" O GLU e 25 " (cutoff:3.500A) Processing helix chain 'e' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE e 36 " --> pdb=" O TYR e 32 " (cutoff:3.500A) Processing helix chain 'e' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU e 89 " --> pdb=" O ASP e 85 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N ASN e 91 " --> pdb=" O TRP e 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU e 92 " --> pdb=" O GLU e 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU e 93 " --> pdb=" O LEU e 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG e 94 " --> pdb=" O ASP e 90 " (cutoff:3.500A) Processing helix chain 'e' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU e 105 " --> pdb=" O LEU e 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL e 118 " --> pdb=" O PHE e 114 " (cutoff:3.500A) removed outlier: 3.818A pdb=" N ILE e 119 " --> pdb=" O GLU e 115 " (cutoff:3.500A) Processing helix chain 'e' and resid 144 through 163 removed outlier: 3.959A pdb=" N LEU e 148 " --> pdb=" O THR e 144 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N LEU e 149 " --> pdb=" O PRO e 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER e 157 " --> pdb=" O VAL e 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE e 158 " --> pdb=" O ARG e 154 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N ASP e 162 " --> pdb=" O ILE e 158 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N GLY e 163 " --> pdb=" O PHE e 159 " (cutoff:3.500A) Processing helix chain 'e' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU e 184 " --> pdb=" O PHE e 180 " (cutoff:3.500A) Processing helix chain 'e' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG e 193 " --> pdb=" O PRO e 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG e 199 " --> pdb=" O GLU e 195 " (cutoff:3.500A) Processing helix chain 'f' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE f 19 " --> pdb=" O GLN f 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA f 23 " --> pdb=" O ILE f 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE f 26 " --> pdb=" O ARG f 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR f 29 " --> pdb=" O GLU f 25 " (cutoff:3.500A) Processing helix chain 'f' and resid 32 through 37 removed outlier: 4.546A pdb=" N PHE f 36 " --> pdb=" O TYR f 32 " (cutoff:3.500A) Processing helix chain 'f' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU f 89 " --> pdb=" O ASP f 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN f 91 " --> pdb=" O TRP f 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU f 92 " --> pdb=" O GLU f 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU f 93 " --> pdb=" O LEU f 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG f 94 " --> pdb=" O ASP f 90 " (cutoff:3.500A) Processing helix chain 'f' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU f 105 " --> pdb=" O LEU f 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL f 118 " --> pdb=" O PHE f 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE f 119 " --> pdb=" O GLU f 115 " (cutoff:3.500A) Processing helix chain 'f' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU f 148 " --> pdb=" O THR f 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU f 149 " --> pdb=" O PRO f 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER f 157 " --> pdb=" O VAL f 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE f 158 " --> pdb=" O ARG f 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP f 162 " --> pdb=" O ILE f 158 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N GLY f 163 " --> pdb=" O PHE f 159 " (cutoff:3.500A) Processing helix chain 'f' and resid 173 through 184 removed outlier: 4.442A pdb=" N GLU f 184 " --> pdb=" O PHE f 180 " (cutoff:3.500A) Processing helix chain 'f' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG f 193 " --> pdb=" O PRO f 189 " (cutoff:3.500A) removed outlier: 4.712A pdb=" N ARG f 199 " --> pdb=" O GLU f 195 " (cutoff:3.500A) Processing helix chain 'g' and resid 12 through 31 removed outlier: 3.956A pdb=" N ILE g 19 " --> pdb=" O GLN g 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA g 23 " --> pdb=" O ILE g 19 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N ILE g 26 " --> pdb=" O ARG g 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR g 29 " --> pdb=" O GLU g 25 " (cutoff:3.500A) Processing helix chain 'g' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE g 36 " --> pdb=" O TYR g 32 " (cutoff:3.500A) Processing helix chain 'g' and resid 85 through 95 removed outlier: 3.555A pdb=" N LEU g 89 " --> pdb=" O ASP g 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN g 91 " --> pdb=" O TRP g 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU g 92 " --> pdb=" O GLU g 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU g 93 " --> pdb=" O LEU g 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG g 94 " --> pdb=" O ASP g 90 " (cutoff:3.500A) Processing helix chain 'g' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU g 105 " --> pdb=" O LEU g 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL g 118 " --> pdb=" O PHE g 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE g 119 " --> pdb=" O GLU g 115 " (cutoff:3.500A) Processing helix chain 'g' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU g 148 " --> pdb=" O THR g 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU g 149 " --> pdb=" O PRO g 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER g 157 " --> pdb=" O VAL g 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE g 158 " --> pdb=" O ARG g 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP g 162 " --> pdb=" O ILE g 158 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N GLY g 163 " --> pdb=" O PHE g 159 " (cutoff:3.500A) Processing helix chain 'g' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU g 184 " --> pdb=" O PHE g 180 " (cutoff:3.500A) Processing helix chain 'g' and resid 189 through 199 removed outlier: 3.795A pdb=" N ARG g 193 " --> pdb=" O PRO g 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG g 199 " --> pdb=" O GLU g 195 " (cutoff:3.500A) Processing helix chain 'h' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE h 19 " --> pdb=" O GLN h 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA h 23 " --> pdb=" O ILE h 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE h 26 " --> pdb=" O ARG h 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR h 29 " --> pdb=" O GLU h 25 " (cutoff:3.500A) Processing helix chain 'h' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE h 36 " --> pdb=" O TYR h 32 " (cutoff:3.500A) Processing helix chain 'h' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU h 89 " --> pdb=" O ASP h 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN h 91 " --> pdb=" O TRP h 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU h 92 " --> pdb=" O GLU h 88 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N GLU h 93 " --> pdb=" O LEU h 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG h 94 " --> pdb=" O ASP h 90 " (cutoff:3.500A) Processing helix chain 'h' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU h 105 " --> pdb=" O LEU h 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL h 118 " --> pdb=" O PHE h 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE h 119 " --> pdb=" O GLU h 115 " (cutoff:3.500A) Processing helix chain 'h' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU h 148 " --> pdb=" O THR h 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU h 149 " --> pdb=" O PRO h 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER h 157 " --> pdb=" O VAL h 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE h 158 " --> pdb=" O ARG h 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP h 162 " --> pdb=" O ILE h 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY h 163 " --> pdb=" O PHE h 159 " (cutoff:3.500A) Processing helix chain 'h' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU h 184 " --> pdb=" O PHE h 180 " (cutoff:3.500A) Processing helix chain 'h' and resid 189 through 199 removed outlier: 3.795A pdb=" N ARG h 193 " --> pdb=" O PRO h 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG h 199 " --> pdb=" O GLU h 195 " (cutoff:3.500A) Processing helix chain 'i' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE i 19 " --> pdb=" O GLN i 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA i 23 " --> pdb=" O ILE i 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE i 26 " --> pdb=" O ARG i 22 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N THR i 29 " --> pdb=" O GLU i 25 " (cutoff:3.500A) Processing helix chain 'i' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE i 36 " --> pdb=" O TYR i 32 " (cutoff:3.500A) Processing helix chain 'i' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU i 89 " --> pdb=" O ASP i 85 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N ASN i 91 " --> pdb=" O TRP i 87 " (cutoff:3.500A) removed outlier: 4.771A pdb=" N LEU i 92 " --> pdb=" O GLU i 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU i 93 " --> pdb=" O LEU i 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG i 94 " --> pdb=" O ASP i 90 " (cutoff:3.500A) Processing helix chain 'i' and resid 101 through 121 removed outlier: 3.778A pdb=" N GLU i 105 " --> pdb=" O LEU i 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL i 118 " --> pdb=" O PHE i 114 " (cutoff:3.500A) removed outlier: 3.818A pdb=" N ILE i 119 " --> pdb=" O GLU i 115 " (cutoff:3.500A) Processing helix chain 'i' and resid 144 through 163 removed outlier: 3.959A pdb=" N LEU i 148 " --> pdb=" O THR i 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU i 149 " --> pdb=" O PRO i 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER i 157 " --> pdb=" O VAL i 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE i 158 " --> pdb=" O ARG i 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP i 162 " --> pdb=" O ILE i 158 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N GLY i 163 " --> pdb=" O PHE i 159 " (cutoff:3.500A) Processing helix chain 'i' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU i 184 " --> pdb=" O PHE i 180 " (cutoff:3.500A) Processing helix chain 'i' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG i 193 " --> pdb=" O PRO i 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG i 199 " --> pdb=" O GLU i 195 " (cutoff:3.500A) Processing helix chain 'j' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE j 19 " --> pdb=" O GLN j 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA j 23 " --> pdb=" O ILE j 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE j 26 " --> pdb=" O ARG j 22 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N THR j 29 " --> pdb=" O GLU j 25 " (cutoff:3.500A) Processing helix chain 'j' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE j 36 " --> pdb=" O TYR j 32 " (cutoff:3.500A) Processing helix chain 'j' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU j 89 " --> pdb=" O ASP j 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN j 91 " --> pdb=" O TRP j 87 " (cutoff:3.500A) removed outlier: 4.771A pdb=" N LEU j 92 " --> pdb=" O GLU j 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU j 93 " --> pdb=" O LEU j 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG j 94 " --> pdb=" O ASP j 90 " (cutoff:3.500A) Processing helix chain 'j' and resid 101 through 121 removed outlier: 3.778A pdb=" N GLU j 105 " --> pdb=" O LEU j 101 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N VAL j 118 " --> pdb=" O PHE j 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE j 119 " --> pdb=" O GLU j 115 " (cutoff:3.500A) Processing helix chain 'j' and resid 144 through 163 removed outlier: 3.959A pdb=" N LEU j 148 " --> pdb=" O THR j 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU j 149 " --> pdb=" O PRO j 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER j 157 " --> pdb=" O VAL j 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE j 158 " --> pdb=" O ARG j 154 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N ASP j 162 " --> pdb=" O ILE j 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY j 163 " --> pdb=" O PHE j 159 " (cutoff:3.500A) Processing helix chain 'j' and resid 173 through 184 removed outlier: 4.444A pdb=" N GLU j 184 " --> pdb=" O PHE j 180 " (cutoff:3.500A) Processing helix chain 'j' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG j 193 " --> pdb=" O PRO j 189 " (cutoff:3.500A) removed outlier: 4.712A pdb=" N ARG j 199 " --> pdb=" O GLU j 195 " (cutoff:3.500A) Processing helix chain 'k' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE k 19 " --> pdb=" O GLN k 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA k 23 " --> pdb=" O ILE k 19 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N ILE k 26 " --> pdb=" O ARG k 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR k 29 " --> pdb=" O GLU k 25 " (cutoff:3.500A) Processing helix chain 'k' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE k 36 " --> pdb=" O TYR k 32 " (cutoff:3.500A) Processing helix chain 'k' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU k 89 " --> pdb=" O ASP k 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN k 91 " --> pdb=" O TRP k 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU k 92 " --> pdb=" O GLU k 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU k 93 " --> pdb=" O LEU k 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG k 94 " --> pdb=" O ASP k 90 " (cutoff:3.500A) Processing helix chain 'k' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU k 105 " --> pdb=" O LEU k 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL k 118 " --> pdb=" O PHE k 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE k 119 " --> pdb=" O GLU k 115 " (cutoff:3.500A) Processing helix chain 'k' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU k 148 " --> pdb=" O THR k 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU k 149 " --> pdb=" O PRO k 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER k 157 " --> pdb=" O VAL k 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE k 158 " --> pdb=" O ARG k 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP k 162 " --> pdb=" O ILE k 158 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N GLY k 163 " --> pdb=" O PHE k 159 " (cutoff:3.500A) Processing helix chain 'k' and resid 173 through 184 removed outlier: 4.442A pdb=" N GLU k 184 " --> pdb=" O PHE k 180 " (cutoff:3.500A) Processing helix chain 'k' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG k 193 " --> pdb=" O PRO k 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG k 199 " --> pdb=" O GLU k 195 " (cutoff:3.500A) Processing helix chain 'l' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE l 19 " --> pdb=" O GLN l 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA l 23 " --> pdb=" O ILE l 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE l 26 " --> pdb=" O ARG l 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR l 29 " --> pdb=" O GLU l 25 " (cutoff:3.500A) Processing helix chain 'l' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE l 36 " --> pdb=" O TYR l 32 " (cutoff:3.500A) Processing helix chain 'l' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU l 89 " --> pdb=" O ASP l 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN l 91 " --> pdb=" O TRP l 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU l 92 " --> pdb=" O GLU l 88 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N GLU l 93 " --> pdb=" O LEU l 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG l 94 " --> pdb=" O ASP l 90 " (cutoff:3.500A) Processing helix chain 'l' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU l 105 " --> pdb=" O LEU l 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL l 118 " --> pdb=" O PHE l 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE l 119 " --> pdb=" O GLU l 115 " (cutoff:3.500A) Processing helix chain 'l' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU l 148 " --> pdb=" O THR l 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU l 149 " --> pdb=" O PRO l 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER l 157 " --> pdb=" O VAL l 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE l 158 " --> pdb=" O ARG l 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP l 162 " --> pdb=" O ILE l 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY l 163 " --> pdb=" O PHE l 159 " (cutoff:3.500A) Processing helix chain 'l' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU l 184 " --> pdb=" O PHE l 180 " (cutoff:3.500A) Processing helix chain 'l' and resid 189 through 199 removed outlier: 3.795A pdb=" N ARG l 193 " --> pdb=" O PRO l 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG l 199 " --> pdb=" O GLU l 195 " (cutoff:3.500A) Processing helix chain 'm' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE m 19 " --> pdb=" O GLN m 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA m 23 " --> pdb=" O ILE m 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE m 26 " --> pdb=" O ARG m 22 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N THR m 29 " --> pdb=" O GLU m 25 " (cutoff:3.500A) Processing helix chain 'm' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE m 36 " --> pdb=" O TYR m 32 " (cutoff:3.500A) Processing helix chain 'm' and resid 85 through 95 removed outlier: 3.555A pdb=" N LEU m 89 " --> pdb=" O ASP m 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN m 91 " --> pdb=" O TRP m 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU m 92 " --> pdb=" O GLU m 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU m 93 " --> pdb=" O LEU m 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG m 94 " --> pdb=" O ASP m 90 " (cutoff:3.500A) Processing helix chain 'm' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU m 105 " --> pdb=" O LEU m 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL m 118 " --> pdb=" O PHE m 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE m 119 " --> pdb=" O GLU m 115 " (cutoff:3.500A) Processing helix chain 'm' and resid 144 through 163 removed outlier: 3.959A pdb=" N LEU m 148 " --> pdb=" O THR m 144 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N LEU m 149 " --> pdb=" O PRO m 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER m 157 " --> pdb=" O VAL m 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE m 158 " --> pdb=" O ARG m 154 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N ASP m 162 " --> pdb=" O ILE m 158 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N GLY m 163 " --> pdb=" O PHE m 159 " (cutoff:3.500A) Processing helix chain 'm' and resid 173 through 184 removed outlier: 4.444A pdb=" N GLU m 184 " --> pdb=" O PHE m 180 " (cutoff:3.500A) Processing helix chain 'm' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG m 193 " --> pdb=" O PRO m 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG m 199 " --> pdb=" O GLU m 195 " (cutoff:3.500A) Processing helix chain 'n' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE n 19 " --> pdb=" O GLN n 15 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N ALA n 23 " --> pdb=" O ILE n 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE n 26 " --> pdb=" O ARG n 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR n 29 " --> pdb=" O GLU n 25 " (cutoff:3.500A) Processing helix chain 'n' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE n 36 " --> pdb=" O TYR n 32 " (cutoff:3.500A) Processing helix chain 'n' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU n 89 " --> pdb=" O ASP n 85 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N ASN n 91 " --> pdb=" O TRP n 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU n 92 " --> pdb=" O GLU n 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU n 93 " --> pdb=" O LEU n 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG n 94 " --> pdb=" O ASP n 90 " (cutoff:3.500A) Processing helix chain 'n' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU n 105 " --> pdb=" O LEU n 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL n 118 " --> pdb=" O PHE n 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE n 119 " --> pdb=" O GLU n 115 " (cutoff:3.500A) Processing helix chain 'n' and resid 144 through 163 removed outlier: 3.959A pdb=" N LEU n 148 " --> pdb=" O THR n 144 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N LEU n 149 " --> pdb=" O PRO n 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER n 157 " --> pdb=" O VAL n 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE n 158 " --> pdb=" O ARG n 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP n 162 " --> pdb=" O ILE n 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY n 163 " --> pdb=" O PHE n 159 " (cutoff:3.500A) Processing helix chain 'n' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU n 184 " --> pdb=" O PHE n 180 " (cutoff:3.500A) Processing helix chain 'n' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG n 193 " --> pdb=" O PRO n 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG n 199 " --> pdb=" O GLU n 195 " (cutoff:3.500A) Processing helix chain 'o' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE o 19 " --> pdb=" O GLN o 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA o 23 " --> pdb=" O ILE o 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE o 26 " --> pdb=" O ARG o 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR o 29 " --> pdb=" O GLU o 25 " (cutoff:3.500A) Processing helix chain 'o' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE o 36 " --> pdb=" O TYR o 32 " (cutoff:3.500A) Processing helix chain 'o' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU o 89 " --> pdb=" O ASP o 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN o 91 " --> pdb=" O TRP o 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU o 92 " --> pdb=" O GLU o 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU o 93 " --> pdb=" O LEU o 89 " (cutoff:3.500A) removed outlier: 4.122A pdb=" N ARG o 94 " --> pdb=" O ASP o 90 " (cutoff:3.500A) Processing helix chain 'o' and resid 101 through 121 removed outlier: 3.778A pdb=" N GLU o 105 " --> pdb=" O LEU o 101 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N VAL o 118 " --> pdb=" O PHE o 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE o 119 " --> pdb=" O GLU o 115 " (cutoff:3.500A) Processing helix chain 'o' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU o 148 " --> pdb=" O THR o 144 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N LEU o 149 " --> pdb=" O PRO o 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER o 157 " --> pdb=" O VAL o 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE o 158 " --> pdb=" O ARG o 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP o 162 " --> pdb=" O ILE o 158 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N GLY o 163 " --> pdb=" O PHE o 159 " (cutoff:3.500A) Processing helix chain 'o' and resid 173 through 184 removed outlier: 4.442A pdb=" N GLU o 184 " --> pdb=" O PHE o 180 " (cutoff:3.500A) Processing helix chain 'o' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG o 193 " --> pdb=" O PRO o 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG o 199 " --> pdb=" O GLU o 195 " (cutoff:3.500A) Processing helix chain 'p' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE p 19 " --> pdb=" O GLN p 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA p 23 " --> pdb=" O ILE p 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE p 26 " --> pdb=" O ARG p 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR p 29 " --> pdb=" O GLU p 25 " (cutoff:3.500A) Processing helix chain 'p' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE p 36 " --> pdb=" O TYR p 32 " (cutoff:3.500A) Processing helix chain 'p' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU p 89 " --> pdb=" O ASP p 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN p 91 " --> pdb=" O TRP p 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU p 92 " --> pdb=" O GLU p 88 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N GLU p 93 " --> pdb=" O LEU p 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG p 94 " --> pdb=" O ASP p 90 " (cutoff:3.500A) Processing helix chain 'p' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU p 105 " --> pdb=" O LEU p 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL p 118 " --> pdb=" O PHE p 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE p 119 " --> pdb=" O GLU p 115 " (cutoff:3.500A) Processing helix chain 'p' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU p 148 " --> pdb=" O THR p 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU p 149 " --> pdb=" O PRO p 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER p 157 " --> pdb=" O VAL p 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE p 158 " --> pdb=" O ARG p 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP p 162 " --> pdb=" O ILE p 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY p 163 " --> pdb=" O PHE p 159 " (cutoff:3.500A) Processing helix chain 'p' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU p 184 " --> pdb=" O PHE p 180 " (cutoff:3.500A) Processing helix chain 'p' and resid 189 through 199 removed outlier: 3.795A pdb=" N ARG p 193 " --> pdb=" O PRO p 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG p 199 " --> pdb=" O GLU p 195 " (cutoff:3.500A) Processing helix chain 'q' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE q 19 " --> pdb=" O GLN q 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA q 23 " --> pdb=" O ILE q 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE q 26 " --> pdb=" O ARG q 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR q 29 " --> pdb=" O GLU q 25 " (cutoff:3.500A) Processing helix chain 'q' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE q 36 " --> pdb=" O TYR q 32 " (cutoff:3.500A) Processing helix chain 'q' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU q 89 " --> pdb=" O ASP q 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN q 91 " --> pdb=" O TRP q 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU q 92 " --> pdb=" O GLU q 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU q 93 " --> pdb=" O LEU q 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG q 94 " --> pdb=" O ASP q 90 " (cutoff:3.500A) Processing helix chain 'q' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU q 105 " --> pdb=" O LEU q 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL q 118 " --> pdb=" O PHE q 114 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N ILE q 119 " --> pdb=" O GLU q 115 " (cutoff:3.500A) Processing helix chain 'q' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU q 148 " --> pdb=" O THR q 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU q 149 " --> pdb=" O PRO q 145 " (cutoff:3.500A) removed outlier: 3.827A pdb=" N SER q 157 " --> pdb=" O VAL q 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE q 158 " --> pdb=" O ARG q 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP q 162 " --> pdb=" O ILE q 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY q 163 " --> pdb=" O PHE q 159 " (cutoff:3.500A) Processing helix chain 'q' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU q 184 " --> pdb=" O PHE q 180 " (cutoff:3.500A) Processing helix chain 'q' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG q 193 " --> pdb=" O PRO q 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG q 199 " --> pdb=" O GLU q 195 " (cutoff:3.500A) Processing helix chain 'r' and resid 12 through 31 removed outlier: 3.956A pdb=" N ILE r 19 " --> pdb=" O GLN r 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA r 23 " --> pdb=" O ILE r 19 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N ILE r 26 " --> pdb=" O ARG r 22 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N THR r 29 " --> pdb=" O GLU r 25 " (cutoff:3.500A) Processing helix chain 'r' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE r 36 " --> pdb=" O TYR r 32 " (cutoff:3.500A) Processing helix chain 'r' and resid 85 through 95 removed outlier: 3.555A pdb=" N LEU r 89 " --> pdb=" O ASP r 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN r 91 " --> pdb=" O TRP r 87 " (cutoff:3.500A) removed outlier: 4.771A pdb=" N LEU r 92 " --> pdb=" O GLU r 88 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N GLU r 93 " --> pdb=" O LEU r 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG r 94 " --> pdb=" O ASP r 90 " (cutoff:3.500A) Processing helix chain 'r' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU r 105 " --> pdb=" O LEU r 101 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N VAL r 118 " --> pdb=" O PHE r 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE r 119 " --> pdb=" O GLU r 115 " (cutoff:3.500A) Processing helix chain 'r' and resid 144 through 163 removed outlier: 3.959A pdb=" N LEU r 148 " --> pdb=" O THR r 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU r 149 " --> pdb=" O PRO r 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER r 157 " --> pdb=" O VAL r 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE r 158 " --> pdb=" O ARG r 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP r 162 " --> pdb=" O ILE r 158 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N GLY r 163 " --> pdb=" O PHE r 159 " (cutoff:3.500A) Processing helix chain 'r' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU r 184 " --> pdb=" O PHE r 180 " (cutoff:3.500A) Processing helix chain 'r' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG r 193 " --> pdb=" O PRO r 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG r 199 " --> pdb=" O GLU r 195 " (cutoff:3.500A) Processing helix chain 's' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE s 19 " --> pdb=" O GLN s 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA s 23 " --> pdb=" O ILE s 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE s 26 " --> pdb=" O ARG s 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR s 29 " --> pdb=" O GLU s 25 " (cutoff:3.500A) Processing helix chain 's' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE s 36 " --> pdb=" O TYR s 32 " (cutoff:3.500A) Processing helix chain 's' and resid 85 through 95 removed outlier: 3.555A pdb=" N LEU s 89 " --> pdb=" O ASP s 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN s 91 " --> pdb=" O TRP s 87 " (cutoff:3.500A) removed outlier: 4.771A pdb=" N LEU s 92 " --> pdb=" O GLU s 88 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N GLU s 93 " --> pdb=" O LEU s 89 " (cutoff:3.500A) removed outlier: 4.122A pdb=" N ARG s 94 " --> pdb=" O ASP s 90 " (cutoff:3.500A) Processing helix chain 's' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU s 105 " --> pdb=" O LEU s 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL s 118 " --> pdb=" O PHE s 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE s 119 " --> pdb=" O GLU s 115 " (cutoff:3.500A) Processing helix chain 's' and resid 144 through 163 removed outlier: 3.959A pdb=" N LEU s 148 " --> pdb=" O THR s 144 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N LEU s 149 " --> pdb=" O PRO s 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER s 157 " --> pdb=" O VAL s 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE s 158 " --> pdb=" O ARG s 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP s 162 " --> pdb=" O ILE s 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY s 163 " --> pdb=" O PHE s 159 " (cutoff:3.500A) Processing helix chain 's' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU s 184 " --> pdb=" O PHE s 180 " (cutoff:3.500A) Processing helix chain 's' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG s 193 " --> pdb=" O PRO s 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG s 199 " --> pdb=" O GLU s 195 " (cutoff:3.500A) Processing helix chain 't' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE t 19 " --> pdb=" O GLN t 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA t 23 " --> pdb=" O ILE t 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE t 26 " --> pdb=" O ARG t 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR t 29 " --> pdb=" O GLU t 25 " (cutoff:3.500A) Processing helix chain 't' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE t 36 " --> pdb=" O TYR t 32 " (cutoff:3.500A) Processing helix chain 't' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU t 89 " --> pdb=" O ASP t 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN t 91 " --> pdb=" O TRP t 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU t 92 " --> pdb=" O GLU t 88 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N GLU t 93 " --> pdb=" O LEU t 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG t 94 " --> pdb=" O ASP t 90 " (cutoff:3.500A) Processing helix chain 't' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU t 105 " --> pdb=" O LEU t 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL t 118 " --> pdb=" O PHE t 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE t 119 " --> pdb=" O GLU t 115 " (cutoff:3.500A) Processing helix chain 't' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU t 148 " --> pdb=" O THR t 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU t 149 " --> pdb=" O PRO t 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER t 157 " --> pdb=" O VAL t 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE t 158 " --> pdb=" O ARG t 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP t 162 " --> pdb=" O ILE t 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY t 163 " --> pdb=" O PHE t 159 " (cutoff:3.500A) Processing helix chain 't' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU t 184 " --> pdb=" O PHE t 180 " (cutoff:3.500A) Processing helix chain 't' and resid 189 through 199 removed outlier: 3.795A pdb=" N ARG t 193 " --> pdb=" O PRO t 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG t 199 " --> pdb=" O GLU t 195 " (cutoff:3.500A) Processing helix chain 'u' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE u 19 " --> pdb=" O GLN u 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA u 23 " --> pdb=" O ILE u 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE u 26 " --> pdb=" O ARG u 22 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N THR u 29 " --> pdb=" O GLU u 25 " (cutoff:3.500A) Processing helix chain 'u' and resid 32 through 37 removed outlier: 4.548A pdb=" N PHE u 36 " --> pdb=" O TYR u 32 " (cutoff:3.500A) Processing helix chain 'u' and resid 85 through 95 removed outlier: 3.555A pdb=" N LEU u 89 " --> pdb=" O ASP u 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN u 91 " --> pdb=" O TRP u 87 " (cutoff:3.500A) removed outlier: 4.771A pdb=" N LEU u 92 " --> pdb=" O GLU u 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU u 93 " --> pdb=" O LEU u 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG u 94 " --> pdb=" O ASP u 90 " (cutoff:3.500A) Processing helix chain 'u' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU u 105 " --> pdb=" O LEU u 101 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL u 118 " --> pdb=" O PHE u 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE u 119 " --> pdb=" O GLU u 115 " (cutoff:3.500A) Processing helix chain 'u' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU u 148 " --> pdb=" O THR u 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU u 149 " --> pdb=" O PRO u 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER u 157 " --> pdb=" O VAL u 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE u 158 " --> pdb=" O ARG u 154 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N ASP u 162 " --> pdb=" O ILE u 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY u 163 " --> pdb=" O PHE u 159 " (cutoff:3.500A) Processing helix chain 'u' and resid 173 through 184 removed outlier: 4.442A pdb=" N GLU u 184 " --> pdb=" O PHE u 180 " (cutoff:3.500A) Processing helix chain 'u' and resid 189 through 199 removed outlier: 3.795A pdb=" N ARG u 193 " --> pdb=" O PRO u 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG u 199 " --> pdb=" O GLU u 195 " (cutoff:3.500A) Processing helix chain 'v' and resid 12 through 31 removed outlier: 3.956A pdb=" N ILE v 19 " --> pdb=" O GLN v 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA v 23 " --> pdb=" O ILE v 19 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N ILE v 26 " --> pdb=" O ARG v 22 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N THR v 29 " --> pdb=" O GLU v 25 " (cutoff:3.500A) Processing helix chain 'v' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE v 36 " --> pdb=" O TYR v 32 " (cutoff:3.500A) Processing helix chain 'v' and resid 85 through 95 removed outlier: 3.555A pdb=" N LEU v 89 " --> pdb=" O ASP v 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN v 91 " --> pdb=" O TRP v 87 " (cutoff:3.500A) removed outlier: 4.771A pdb=" N LEU v 92 " --> pdb=" O GLU v 88 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N GLU v 93 " --> pdb=" O LEU v 89 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N ARG v 94 " --> pdb=" O ASP v 90 " (cutoff:3.500A) Processing helix chain 'v' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU v 105 " --> pdb=" O LEU v 101 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N VAL v 118 " --> pdb=" O PHE v 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE v 119 " --> pdb=" O GLU v 115 " (cutoff:3.500A) Processing helix chain 'v' and resid 144 through 163 removed outlier: 3.959A pdb=" N LEU v 148 " --> pdb=" O THR v 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU v 149 " --> pdb=" O PRO v 145 " (cutoff:3.500A) removed outlier: 3.827A pdb=" N SER v 157 " --> pdb=" O VAL v 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ILE v 158 " --> pdb=" O ARG v 154 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ASP v 162 " --> pdb=" O ILE v 158 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N GLY v 163 " --> pdb=" O PHE v 159 " (cutoff:3.500A) Processing helix chain 'v' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU v 184 " --> pdb=" O PHE v 180 " (cutoff:3.500A) Processing helix chain 'v' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG v 193 " --> pdb=" O PRO v 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG v 199 " --> pdb=" O GLU v 195 " (cutoff:3.500A) Processing helix chain 'w' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE w 19 " --> pdb=" O GLN w 15 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N ALA w 23 " --> pdb=" O ILE w 19 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N ILE w 26 " --> pdb=" O ARG w 22 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N THR w 29 " --> pdb=" O GLU w 25 " (cutoff:3.500A) Processing helix chain 'w' and resid 32 through 37 removed outlier: 4.548A pdb=" N PHE w 36 " --> pdb=" O TYR w 32 " (cutoff:3.500A) Processing helix chain 'w' and resid 85 through 95 removed outlier: 3.555A pdb=" N LEU w 89 " --> pdb=" O ASP w 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN w 91 " --> pdb=" O TRP w 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU w 92 " --> pdb=" O GLU w 88 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N GLU w 93 " --> pdb=" O LEU w 89 " (cutoff:3.500A) removed outlier: 4.122A pdb=" N ARG w 94 " --> pdb=" O ASP w 90 " (cutoff:3.500A) Processing helix chain 'w' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU w 105 " --> pdb=" O LEU w 101 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N VAL w 118 " --> pdb=" O PHE w 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE w 119 " --> pdb=" O GLU w 115 " (cutoff:3.500A) Processing helix chain 'w' and resid 144 through 163 removed outlier: 3.959A pdb=" N LEU w 148 " --> pdb=" O THR w 144 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU w 149 " --> pdb=" O PRO w 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER w 157 " --> pdb=" O VAL w 153 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE w 158 " --> pdb=" O ARG w 154 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N ASP w 162 " --> pdb=" O ILE w 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY w 163 " --> pdb=" O PHE w 159 " (cutoff:3.500A) Processing helix chain 'w' and resid 173 through 184 removed outlier: 4.444A pdb=" N GLU w 184 " --> pdb=" O PHE w 180 " (cutoff:3.500A) Processing helix chain 'w' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG w 193 " --> pdb=" O PRO w 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG w 199 " --> pdb=" O GLU w 195 " (cutoff:3.500A) Processing helix chain 'x' and resid 12 through 31 removed outlier: 3.955A pdb=" N ILE x 19 " --> pdb=" O GLN x 15 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA x 23 " --> pdb=" O ILE x 19 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ILE x 26 " --> pdb=" O ARG x 22 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N THR x 29 " --> pdb=" O GLU x 25 " (cutoff:3.500A) Processing helix chain 'x' and resid 32 through 37 removed outlier: 4.547A pdb=" N PHE x 36 " --> pdb=" O TYR x 32 " (cutoff:3.500A) Processing helix chain 'x' and resid 85 through 95 removed outlier: 3.556A pdb=" N LEU x 89 " --> pdb=" O ASP x 85 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ASN x 91 " --> pdb=" O TRP x 87 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N LEU x 92 " --> pdb=" O GLU x 88 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N GLU x 93 " --> pdb=" O LEU x 89 " (cutoff:3.500A) removed outlier: 4.122A pdb=" N ARG x 94 " --> pdb=" O ASP x 90 " (cutoff:3.500A) Processing helix chain 'x' and resid 101 through 121 removed outlier: 3.779A pdb=" N GLU x 105 " --> pdb=" O LEU x 101 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N VAL x 118 " --> pdb=" O PHE x 114 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ILE x 119 " --> pdb=" O GLU x 115 " (cutoff:3.500A) Processing helix chain 'x' and resid 144 through 163 removed outlier: 3.958A pdb=" N LEU x 148 " --> pdb=" O THR x 144 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N LEU x 149 " --> pdb=" O PRO x 145 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N SER x 157 " --> pdb=" O VAL x 153 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ILE x 158 " --> pdb=" O ARG x 154 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N ASP x 162 " --> pdb=" O ILE x 158 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N GLY x 163 " --> pdb=" O PHE x 159 " (cutoff:3.500A) Processing helix chain 'x' and resid 173 through 184 removed outlier: 4.443A pdb=" N GLU x 184 " --> pdb=" O PHE x 180 " (cutoff:3.500A) Processing helix chain 'x' and resid 189 through 199 removed outlier: 3.794A pdb=" N ARG x 193 " --> pdb=" O PRO x 189 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG x 199 " --> pdb=" O GLU x 195 " (cutoff:3.500A) Processing sheet with id= 1, first strand: chain 'A' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS A 71 " --> pdb=" O LEU A 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER A 72 " --> pdb=" O VAL A 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL A 254 " --> pdb=" O SER A 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE A 252 " --> pdb=" O PRO A 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU A 248 " --> pdb=" O LEU A 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR A 249 " --> pdb=" O GLY A 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP A 221 " --> pdb=" O VAL A 255 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'A' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG A 137 " --> pdb=" O LEU A 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA A 259 " --> pdb=" O SER A 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA A 212 " --> pdb=" O LEU A 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS A 202 " --> pdb=" O TYR A 168 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain 'B' and resid 49 through 52 removed outlier: 7.522A pdb=" N LYS B 71 " --> pdb=" O LEU B 52 " (cutoff:3.500A) removed outlier: 14.108A pdb=" N SER B 72 " --> pdb=" O VAL B 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL B 254 " --> pdb=" O SER B 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE B 252 " --> pdb=" O PRO B 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU B 248 " --> pdb=" O LEU B 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR B 249 " --> pdb=" O GLY B 227 " (cutoff:3.500A) removed outlier: 7.728A pdb=" N ASP B 221 " --> pdb=" O VAL B 255 " (cutoff:3.500A) Processing sheet with id= 4, first strand: chain 'B' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG B 137 " --> pdb=" O LEU B 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA B 259 " --> pdb=" O SER B 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA B 212 " --> pdb=" O LEU B 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS B 202 " --> pdb=" O TYR B 168 " (cutoff:3.500A) Processing sheet with id= 5, first strand: chain 'C' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS C 71 " --> pdb=" O LEU C 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER C 72 " --> pdb=" O VAL C 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL C 254 " --> pdb=" O SER C 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE C 252 " --> pdb=" O PRO C 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU C 248 " --> pdb=" O LEU C 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR C 249 " --> pdb=" O GLY C 227 " (cutoff:3.500A) removed outlier: 7.728A pdb=" N ASP C 221 " --> pdb=" O VAL C 255 " (cutoff:3.500A) Processing sheet with id= 6, first strand: chain 'C' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG C 137 " --> pdb=" O LEU C 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA C 259 " --> pdb=" O SER C 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA C 212 " --> pdb=" O LEU C 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS C 202 " --> pdb=" O TYR C 168 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'D' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS D 71 " --> pdb=" O LEU D 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER D 72 " --> pdb=" O VAL D 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL D 254 " --> pdb=" O SER D 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE D 252 " --> pdb=" O PRO D 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU D 248 " --> pdb=" O LEU D 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR D 249 " --> pdb=" O GLY D 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP D 221 " --> pdb=" O VAL D 255 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'D' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG D 137 " --> pdb=" O LEU D 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA D 259 " --> pdb=" O SER D 216 " (cutoff:3.500A) removed outlier: 4.245A pdb=" N ALA D 212 " --> pdb=" O LEU D 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS D 202 " --> pdb=" O TYR D 168 " (cutoff:3.500A) Processing sheet with id= 9, first strand: chain 'E' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS E 71 " --> pdb=" O LEU E 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER E 72 " --> pdb=" O VAL E 254 " (cutoff:3.500A) removed outlier: 12.926A pdb=" N VAL E 254 " --> pdb=" O SER E 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE E 252 " --> pdb=" O PRO E 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU E 248 " --> pdb=" O LEU E 78 " (cutoff:3.500A) removed outlier: 6.901A pdb=" N THR E 249 " --> pdb=" O GLY E 227 " (cutoff:3.500A) removed outlier: 7.728A pdb=" N ASP E 221 " --> pdb=" O VAL E 255 " (cutoff:3.500A) Processing sheet with id= 10, first strand: chain 'E' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG E 137 " --> pdb=" O LEU E 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA E 259 " --> pdb=" O SER E 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA E 212 " --> pdb=" O LEU E 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS E 202 " --> pdb=" O TYR E 168 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'F' and resid 49 through 52 removed outlier: 7.524A pdb=" N LYS F 71 " --> pdb=" O LEU F 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER F 72 " --> pdb=" O VAL F 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL F 254 " --> pdb=" O SER F 72 " (cutoff:3.500A) removed outlier: 7.002A pdb=" N PHE F 252 " --> pdb=" O PRO F 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU F 248 " --> pdb=" O LEU F 78 " (cutoff:3.500A) removed outlier: 6.901A pdb=" N THR F 249 " --> pdb=" O GLY F 227 " (cutoff:3.500A) removed outlier: 7.728A pdb=" N ASP F 221 " --> pdb=" O VAL F 255 " (cutoff:3.500A) Processing sheet with id= 12, first strand: chain 'F' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG F 137 " --> pdb=" O LEU F 260 " (cutoff:3.500A) removed outlier: 7.005A pdb=" N ALA F 259 " --> pdb=" O SER F 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA F 212 " --> pdb=" O LEU F 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS F 202 " --> pdb=" O TYR F 168 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'G' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS G 71 " --> pdb=" O LEU G 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER G 72 " --> pdb=" O VAL G 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL G 254 " --> pdb=" O SER G 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE G 252 " --> pdb=" O PRO G 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU G 248 " --> pdb=" O LEU G 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR G 249 " --> pdb=" O GLY G 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP G 221 " --> pdb=" O VAL G 255 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'G' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG G 137 " --> pdb=" O LEU G 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA G 259 " --> pdb=" O SER G 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA G 212 " --> pdb=" O LEU G 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS G 202 " --> pdb=" O TYR G 168 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'H' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS H 71 " --> pdb=" O LEU H 52 " (cutoff:3.500A) removed outlier: 14.110A pdb=" N SER H 72 " --> pdb=" O VAL H 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL H 254 " --> pdb=" O SER H 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE H 252 " --> pdb=" O PRO H 74 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N GLU H 248 " --> pdb=" O LEU H 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR H 249 " --> pdb=" O GLY H 227 " (cutoff:3.500A) removed outlier: 7.730A pdb=" N ASP H 221 " --> pdb=" O VAL H 255 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'H' and resid 137 through 140 removed outlier: 6.262A pdb=" N ARG H 137 " --> pdb=" O LEU H 260 " (cutoff:3.500A) removed outlier: 7.005A pdb=" N ALA H 259 " --> pdb=" O SER H 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA H 212 " --> pdb=" O LEU H 263 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N LYS H 202 " --> pdb=" O TYR H 168 " (cutoff:3.500A) Processing sheet with id= 17, first strand: chain 'I' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS I 71 " --> pdb=" O LEU I 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER I 72 " --> pdb=" O VAL I 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL I 254 " --> pdb=" O SER I 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE I 252 " --> pdb=" O PRO I 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU I 248 " --> pdb=" O LEU I 78 " (cutoff:3.500A) removed outlier: 6.901A pdb=" N THR I 249 " --> pdb=" O GLY I 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP I 221 " --> pdb=" O VAL I 255 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain 'I' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG I 137 " --> pdb=" O LEU I 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA I 259 " --> pdb=" O SER I 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA I 212 " --> pdb=" O LEU I 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS I 202 " --> pdb=" O TYR I 168 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'J' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS J 71 " --> pdb=" O LEU J 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER J 72 " --> pdb=" O VAL J 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL J 254 " --> pdb=" O SER J 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE J 252 " --> pdb=" O PRO J 74 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N GLU J 248 " --> pdb=" O LEU J 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR J 249 " --> pdb=" O GLY J 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP J 221 " --> pdb=" O VAL J 255 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'J' and resid 137 through 140 removed outlier: 6.264A pdb=" N ARG J 137 " --> pdb=" O LEU J 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA J 259 " --> pdb=" O SER J 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA J 212 " --> pdb=" O LEU J 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS J 202 " --> pdb=" O TYR J 168 " (cutoff:3.500A) Processing sheet with id= 21, first strand: chain 'K' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS K 71 " --> pdb=" O LEU K 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER K 72 " --> pdb=" O VAL K 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL K 254 " --> pdb=" O SER K 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE K 252 " --> pdb=" O PRO K 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU K 248 " --> pdb=" O LEU K 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR K 249 " --> pdb=" O GLY K 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP K 221 " --> pdb=" O VAL K 255 " (cutoff:3.500A) Processing sheet with id= 22, first strand: chain 'K' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG K 137 " --> pdb=" O LEU K 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA K 259 " --> pdb=" O SER K 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA K 212 " --> pdb=" O LEU K 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS K 202 " --> pdb=" O TYR K 168 " (cutoff:3.500A) Processing sheet with id= 23, first strand: chain 'L' and resid 49 through 52 removed outlier: 7.522A pdb=" N LYS L 71 " --> pdb=" O LEU L 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER L 72 " --> pdb=" O VAL L 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL L 254 " --> pdb=" O SER L 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE L 252 " --> pdb=" O PRO L 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU L 248 " --> pdb=" O LEU L 78 " (cutoff:3.500A) removed outlier: 6.901A pdb=" N THR L 249 " --> pdb=" O GLY L 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP L 221 " --> pdb=" O VAL L 255 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'L' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG L 137 " --> pdb=" O LEU L 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA L 259 " --> pdb=" O SER L 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA L 212 " --> pdb=" O LEU L 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS L 202 " --> pdb=" O TYR L 168 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'M' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS M 71 " --> pdb=" O LEU M 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER M 72 " --> pdb=" O VAL M 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL M 254 " --> pdb=" O SER M 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE M 252 " --> pdb=" O PRO M 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU M 248 " --> pdb=" O LEU M 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR M 249 " --> pdb=" O GLY M 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP M 221 " --> pdb=" O VAL M 255 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'M' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG M 137 " --> pdb=" O LEU M 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA M 259 " --> pdb=" O SER M 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA M 212 " --> pdb=" O LEU M 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS M 202 " --> pdb=" O TYR M 168 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'N' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS N 71 " --> pdb=" O LEU N 52 " (cutoff:3.500A) removed outlier: 14.108A pdb=" N SER N 72 " --> pdb=" O VAL N 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL N 254 " --> pdb=" O SER N 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE N 252 " --> pdb=" O PRO N 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU N 248 " --> pdb=" O LEU N 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR N 249 " --> pdb=" O GLY N 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP N 221 " --> pdb=" O VAL N 255 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 'N' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG N 137 " --> pdb=" O LEU N 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA N 259 " --> pdb=" O SER N 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA N 212 " --> pdb=" O LEU N 263 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N LYS N 202 " --> pdb=" O TYR N 168 " (cutoff:3.500A) Processing sheet with id= 29, first strand: chain 'O' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS O 71 " --> pdb=" O LEU O 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER O 72 " --> pdb=" O VAL O 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL O 254 " --> pdb=" O SER O 72 " (cutoff:3.500A) removed outlier: 7.002A pdb=" N PHE O 252 " --> pdb=" O PRO O 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU O 248 " --> pdb=" O LEU O 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR O 249 " --> pdb=" O GLY O 227 " (cutoff:3.500A) removed outlier: 7.728A pdb=" N ASP O 221 " --> pdb=" O VAL O 255 " (cutoff:3.500A) Processing sheet with id= 30, first strand: chain 'O' and resid 137 through 140 removed outlier: 6.264A pdb=" N ARG O 137 " --> pdb=" O LEU O 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA O 259 " --> pdb=" O SER O 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA O 212 " --> pdb=" O LEU O 263 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N LYS O 202 " --> pdb=" O TYR O 168 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'P' and resid 49 through 52 removed outlier: 7.524A pdb=" N LYS P 71 " --> pdb=" O LEU P 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER P 72 " --> pdb=" O VAL P 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL P 254 " --> pdb=" O SER P 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE P 252 " --> pdb=" O PRO P 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU P 248 " --> pdb=" O LEU P 78 " (cutoff:3.500A) removed outlier: 6.901A pdb=" N THR P 249 " --> pdb=" O GLY P 227 " (cutoff:3.500A) removed outlier: 7.728A pdb=" N ASP P 221 " --> pdb=" O VAL P 255 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain 'P' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG P 137 " --> pdb=" O LEU P 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA P 259 " --> pdb=" O SER P 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA P 212 " --> pdb=" O LEU P 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS P 202 " --> pdb=" O TYR P 168 " (cutoff:3.500A) Processing sheet with id= 33, first strand: chain 'Q' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS Q 71 " --> pdb=" O LEU Q 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER Q 72 " --> pdb=" O VAL Q 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL Q 254 " --> pdb=" O SER Q 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE Q 252 " --> pdb=" O PRO Q 74 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N GLU Q 248 " --> pdb=" O LEU Q 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR Q 249 " --> pdb=" O GLY Q 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP Q 221 " --> pdb=" O VAL Q 255 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain 'Q' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG Q 137 " --> pdb=" O LEU Q 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA Q 259 " --> pdb=" O SER Q 216 " (cutoff:3.500A) removed outlier: 4.245A pdb=" N ALA Q 212 " --> pdb=" O LEU Q 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS Q 202 " --> pdb=" O TYR Q 168 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'R' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS R 71 " --> pdb=" O LEU R 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER R 72 " --> pdb=" O VAL R 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL R 254 " --> pdb=" O SER R 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE R 252 " --> pdb=" O PRO R 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU R 248 " --> pdb=" O LEU R 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR R 249 " --> pdb=" O GLY R 227 " (cutoff:3.500A) removed outlier: 7.728A pdb=" N ASP R 221 " --> pdb=" O VAL R 255 " (cutoff:3.500A) Processing sheet with id= 36, first strand: chain 'R' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG R 137 " --> pdb=" O LEU R 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA R 259 " --> pdb=" O SER R 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA R 212 " --> pdb=" O LEU R 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS R 202 " --> pdb=" O TYR R 168 " (cutoff:3.500A) Processing sheet with id= 37, first strand: chain 'S' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS S 71 " --> pdb=" O LEU S 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER S 72 " --> pdb=" O VAL S 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL S 254 " --> pdb=" O SER S 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE S 252 " --> pdb=" O PRO S 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU S 248 " --> pdb=" O LEU S 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR S 249 " --> pdb=" O GLY S 227 " (cutoff:3.500A) removed outlier: 7.728A pdb=" N ASP S 221 " --> pdb=" O VAL S 255 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'S' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG S 137 " --> pdb=" O LEU S 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA S 259 " --> pdb=" O SER S 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA S 212 " --> pdb=" O LEU S 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS S 202 " --> pdb=" O TYR S 168 " (cutoff:3.500A) Processing sheet with id= 39, first strand: chain 'T' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS T 71 " --> pdb=" O LEU T 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER T 72 " --> pdb=" O VAL T 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL T 254 " --> pdb=" O SER T 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE T 252 " --> pdb=" O PRO T 74 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N GLU T 248 " --> pdb=" O LEU T 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR T 249 " --> pdb=" O GLY T 227 " (cutoff:3.500A) removed outlier: 7.730A pdb=" N ASP T 221 " --> pdb=" O VAL T 255 " (cutoff:3.500A) Processing sheet with id= 40, first strand: chain 'T' and resid 137 through 140 removed outlier: 6.262A pdb=" N ARG T 137 " --> pdb=" O LEU T 260 " (cutoff:3.500A) removed outlier: 7.005A pdb=" N ALA T 259 " --> pdb=" O SER T 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA T 212 " --> pdb=" O LEU T 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS T 202 " --> pdb=" O TYR T 168 " (cutoff:3.500A) Processing sheet with id= 41, first strand: chain 'U' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS U 71 " --> pdb=" O LEU U 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER U 72 " --> pdb=" O VAL U 254 " (cutoff:3.500A) removed outlier: 12.926A pdb=" N VAL U 254 " --> pdb=" O SER U 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE U 252 " --> pdb=" O PRO U 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU U 248 " --> pdb=" O LEU U 78 " (cutoff:3.500A) removed outlier: 6.901A pdb=" N THR U 249 " --> pdb=" O GLY U 227 " (cutoff:3.500A) removed outlier: 7.728A pdb=" N ASP U 221 " --> pdb=" O VAL U 255 " (cutoff:3.500A) Processing sheet with id= 42, first strand: chain 'U' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG U 137 " --> pdb=" O LEU U 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA U 259 " --> pdb=" O SER U 216 " (cutoff:3.500A) removed outlier: 4.245A pdb=" N ALA U 212 " --> pdb=" O LEU U 263 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N LYS U 202 " --> pdb=" O TYR U 168 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'V' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS V 71 " --> pdb=" O LEU V 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER V 72 " --> pdb=" O VAL V 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL V 254 " --> pdb=" O SER V 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE V 252 " --> pdb=" O PRO V 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU V 248 " --> pdb=" O LEU V 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR V 249 " --> pdb=" O GLY V 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP V 221 " --> pdb=" O VAL V 255 " (cutoff:3.500A) Processing sheet with id= 44, first strand: chain 'V' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG V 137 " --> pdb=" O LEU V 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA V 259 " --> pdb=" O SER V 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA V 212 " --> pdb=" O LEU V 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS V 202 " --> pdb=" O TYR V 168 " (cutoff:3.500A) Processing sheet with id= 45, first strand: chain 'W' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS W 71 " --> pdb=" O LEU W 52 " (cutoff:3.500A) removed outlier: 14.108A pdb=" N SER W 72 " --> pdb=" O VAL W 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL W 254 " --> pdb=" O SER W 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE W 252 " --> pdb=" O PRO W 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU W 248 " --> pdb=" O LEU W 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR W 249 " --> pdb=" O GLY W 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP W 221 " --> pdb=" O VAL W 255 " (cutoff:3.500A) Processing sheet with id= 46, first strand: chain 'W' and resid 137 through 140 removed outlier: 6.264A pdb=" N ARG W 137 " --> pdb=" O LEU W 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA W 259 " --> pdb=" O SER W 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA W 212 " --> pdb=" O LEU W 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS W 202 " --> pdb=" O TYR W 168 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'X' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS X 71 " --> pdb=" O LEU X 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER X 72 " --> pdb=" O VAL X 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL X 254 " --> pdb=" O SER X 72 " (cutoff:3.500A) removed outlier: 7.002A pdb=" N PHE X 252 " --> pdb=" O PRO X 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU X 248 " --> pdb=" O LEU X 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR X 249 " --> pdb=" O GLY X 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP X 221 " --> pdb=" O VAL X 255 " (cutoff:3.500A) Processing sheet with id= 48, first strand: chain 'X' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG X 137 " --> pdb=" O LEU X 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA X 259 " --> pdb=" O SER X 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA X 212 " --> pdb=" O LEU X 263 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N LYS X 202 " --> pdb=" O TYR X 168 " (cutoff:3.500A) Processing sheet with id= 49, first strand: chain 'Y' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS Y 71 " --> pdb=" O LEU Y 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER Y 72 " --> pdb=" O VAL Y 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL Y 254 " --> pdb=" O SER Y 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE Y 252 " --> pdb=" O PRO Y 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU Y 248 " --> pdb=" O LEU Y 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR Y 249 " --> pdb=" O GLY Y 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP Y 221 " --> pdb=" O VAL Y 255 " (cutoff:3.500A) Processing sheet with id= 50, first strand: chain 'Y' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG Y 137 " --> pdb=" O LEU Y 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA Y 259 " --> pdb=" O SER Y 216 " (cutoff:3.500A) removed outlier: 4.245A pdb=" N ALA Y 212 " --> pdb=" O LEU Y 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS Y 202 " --> pdb=" O TYR Y 168 " (cutoff:3.500A) Processing sheet with id= 51, first strand: chain 'Z' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS Z 71 " --> pdb=" O LEU Z 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER Z 72 " --> pdb=" O VAL Z 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL Z 254 " --> pdb=" O SER Z 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE Z 252 " --> pdb=" O PRO Z 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU Z 248 " --> pdb=" O LEU Z 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR Z 249 " --> pdb=" O GLY Z 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP Z 221 " --> pdb=" O VAL Z 255 " (cutoff:3.500A) Processing sheet with id= 52, first strand: chain 'Z' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG Z 137 " --> pdb=" O LEU Z 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA Z 259 " --> pdb=" O SER Z 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA Z 212 " --> pdb=" O LEU Z 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS Z 202 " --> pdb=" O TYR Z 168 " (cutoff:3.500A) Processing sheet with id= 53, first strand: chain '0' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS 0 71 " --> pdb=" O LEU 0 52 " (cutoff:3.500A) removed outlier: 14.110A pdb=" N SER 0 72 " --> pdb=" O VAL 0 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL 0 254 " --> pdb=" O SER 0 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE 0 252 " --> pdb=" O PRO 0 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU 0 248 " --> pdb=" O LEU 0 78 " (cutoff:3.500A) removed outlier: 6.901A pdb=" N THR 0 249 " --> pdb=" O GLY 0 227 " (cutoff:3.500A) removed outlier: 7.728A pdb=" N ASP 0 221 " --> pdb=" O VAL 0 255 " (cutoff:3.500A) Processing sheet with id= 54, first strand: chain '0' and resid 137 through 140 removed outlier: 6.264A pdb=" N ARG 0 137 " --> pdb=" O LEU 0 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA 0 259 " --> pdb=" O SER 0 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA 0 212 " --> pdb=" O LEU 0 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS 0 202 " --> pdb=" O TYR 0 168 " (cutoff:3.500A) Processing sheet with id= 55, first strand: chain '1' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS 1 71 " --> pdb=" O LEU 1 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER 1 72 " --> pdb=" O VAL 1 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL 1 254 " --> pdb=" O SER 1 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE 1 252 " --> pdb=" O PRO 1 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU 1 248 " --> pdb=" O LEU 1 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR 1 249 " --> pdb=" O GLY 1 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP 1 221 " --> pdb=" O VAL 1 255 " (cutoff:3.500A) Processing sheet with id= 56, first strand: chain '1' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG 1 137 " --> pdb=" O LEU 1 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA 1 259 " --> pdb=" O SER 1 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA 1 212 " --> pdb=" O LEU 1 263 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N LYS 1 202 " --> pdb=" O TYR 1 168 " (cutoff:3.500A) Processing sheet with id= 57, first strand: chain '2' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS 2 71 " --> pdb=" O LEU 2 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER 2 72 " --> pdb=" O VAL 2 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL 2 254 " --> pdb=" O SER 2 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE 2 252 " --> pdb=" O PRO 2 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU 2 248 " --> pdb=" O LEU 2 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR 2 249 " --> pdb=" O GLY 2 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP 2 221 " --> pdb=" O VAL 2 255 " (cutoff:3.500A) Processing sheet with id= 58, first strand: chain '2' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG 2 137 " --> pdb=" O LEU 2 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA 2 259 " --> pdb=" O SER 2 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA 2 212 " --> pdb=" O LEU 2 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS 2 202 " --> pdb=" O TYR 2 168 " (cutoff:3.500A) Processing sheet with id= 59, first strand: chain '3' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS 3 71 " --> pdb=" O LEU 3 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER 3 72 " --> pdb=" O VAL 3 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL 3 254 " --> pdb=" O SER 3 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE 3 252 " --> pdb=" O PRO 3 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU 3 248 " --> pdb=" O LEU 3 78 " (cutoff:3.500A) removed outlier: 6.901A pdb=" N THR 3 249 " --> pdb=" O GLY 3 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP 3 221 " --> pdb=" O VAL 3 255 " (cutoff:3.500A) Processing sheet with id= 60, first strand: chain '3' and resid 137 through 140 removed outlier: 6.262A pdb=" N ARG 3 137 " --> pdb=" O LEU 3 260 " (cutoff:3.500A) removed outlier: 7.005A pdb=" N ALA 3 259 " --> pdb=" O SER 3 216 " (cutoff:3.500A) removed outlier: 4.245A pdb=" N ALA 3 212 " --> pdb=" O LEU 3 263 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N LYS 3 202 " --> pdb=" O TYR 3 168 " (cutoff:3.500A) Processing sheet with id= 61, first strand: chain '4' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS 4 71 " --> pdb=" O LEU 4 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER 4 72 " --> pdb=" O VAL 4 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL 4 254 " --> pdb=" O SER 4 72 " (cutoff:3.500A) removed outlier: 7.002A pdb=" N PHE 4 252 " --> pdb=" O PRO 4 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU 4 248 " --> pdb=" O LEU 4 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR 4 249 " --> pdb=" O GLY 4 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP 4 221 " --> pdb=" O VAL 4 255 " (cutoff:3.500A) Processing sheet with id= 62, first strand: chain '4' and resid 137 through 140 removed outlier: 6.264A pdb=" N ARG 4 137 " --> pdb=" O LEU 4 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA 4 259 " --> pdb=" O SER 4 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA 4 212 " --> pdb=" O LEU 4 263 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N LYS 4 202 " --> pdb=" O TYR 4 168 " (cutoff:3.500A) Processing sheet with id= 63, first strand: chain '5' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS 5 71 " --> pdb=" O LEU 5 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER 5 72 " --> pdb=" O VAL 5 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL 5 254 " --> pdb=" O SER 5 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE 5 252 " --> pdb=" O PRO 5 74 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N GLU 5 248 " --> pdb=" O LEU 5 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR 5 249 " --> pdb=" O GLY 5 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP 5 221 " --> pdb=" O VAL 5 255 " (cutoff:3.500A) Processing sheet with id= 64, first strand: chain '5' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG 5 137 " --> pdb=" O LEU 5 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA 5 259 " --> pdb=" O SER 5 216 " (cutoff:3.500A) removed outlier: 4.245A pdb=" N ALA 5 212 " --> pdb=" O LEU 5 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS 5 202 " --> pdb=" O TYR 5 168 " (cutoff:3.500A) Processing sheet with id= 65, first strand: chain '6' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS 6 71 " --> pdb=" O LEU 6 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER 6 72 " --> pdb=" O VAL 6 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL 6 254 " --> pdb=" O SER 6 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE 6 252 " --> pdb=" O PRO 6 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU 6 248 " --> pdb=" O LEU 6 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR 6 249 " --> pdb=" O GLY 6 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP 6 221 " --> pdb=" O VAL 6 255 " (cutoff:3.500A) Processing sheet with id= 66, first strand: chain '6' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG 6 137 " --> pdb=" O LEU 6 260 " (cutoff:3.500A) removed outlier: 7.005A pdb=" N ALA 6 259 " --> pdb=" O SER 6 216 " (cutoff:3.500A) removed outlier: 4.245A pdb=" N ALA 6 212 " --> pdb=" O LEU 6 263 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N LYS 6 202 " --> pdb=" O TYR 6 168 " (cutoff:3.500A) Processing sheet with id= 67, first strand: chain '7' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS 7 71 " --> pdb=" O LEU 7 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER 7 72 " --> pdb=" O VAL 7 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL 7 254 " --> pdb=" O SER 7 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE 7 252 " --> pdb=" O PRO 7 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU 7 248 " --> pdb=" O LEU 7 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR 7 249 " --> pdb=" O GLY 7 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP 7 221 " --> pdb=" O VAL 7 255 " (cutoff:3.500A) Processing sheet with id= 68, first strand: chain '7' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG 7 137 " --> pdb=" O LEU 7 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA 7 259 " --> pdb=" O SER 7 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA 7 212 " --> pdb=" O LEU 7 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS 7 202 " --> pdb=" O TYR 7 168 " (cutoff:3.500A) Processing sheet with id= 69, first strand: chain '8' and resid 49 through 52 removed outlier: 7.524A pdb=" N LYS 8 71 " --> pdb=" O LEU 8 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER 8 72 " --> pdb=" O VAL 8 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL 8 254 " --> pdb=" O SER 8 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE 8 252 " --> pdb=" O PRO 8 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU 8 248 " --> pdb=" O LEU 8 78 " (cutoff:3.500A) removed outlier: 6.901A pdb=" N THR 8 249 " --> pdb=" O GLY 8 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP 8 221 " --> pdb=" O VAL 8 255 " (cutoff:3.500A) Processing sheet with id= 70, first strand: chain '8' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG 8 137 " --> pdb=" O LEU 8 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA 8 259 " --> pdb=" O SER 8 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA 8 212 " --> pdb=" O LEU 8 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS 8 202 " --> pdb=" O TYR 8 168 " (cutoff:3.500A) Processing sheet with id= 71, first strand: chain '9' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS 9 71 " --> pdb=" O LEU 9 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER 9 72 " --> pdb=" O VAL 9 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL 9 254 " --> pdb=" O SER 9 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE 9 252 " --> pdb=" O PRO 9 74 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N GLU 9 248 " --> pdb=" O LEU 9 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR 9 249 " --> pdb=" O GLY 9 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP 9 221 " --> pdb=" O VAL 9 255 " (cutoff:3.500A) Processing sheet with id= 72, first strand: chain '9' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG 9 137 " --> pdb=" O LEU 9 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA 9 259 " --> pdb=" O SER 9 216 " (cutoff:3.500A) removed outlier: 4.245A pdb=" N ALA 9 212 " --> pdb=" O LEU 9 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS 9 202 " --> pdb=" O TYR 9 168 " (cutoff:3.500A) Processing sheet with id= 73, first strand: chain 'a' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS a 71 " --> pdb=" O LEU a 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER a 72 " --> pdb=" O VAL a 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL a 254 " --> pdb=" O SER a 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE a 252 " --> pdb=" O PRO a 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU a 248 " --> pdb=" O LEU a 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR a 249 " --> pdb=" O GLY a 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP a 221 " --> pdb=" O VAL a 255 " (cutoff:3.500A) Processing sheet with id= 74, first strand: chain 'a' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG a 137 " --> pdb=" O LEU a 260 " (cutoff:3.500A) removed outlier: 7.005A pdb=" N ALA a 259 " --> pdb=" O SER a 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA a 212 " --> pdb=" O LEU a 263 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N LYS a 202 " --> pdb=" O TYR a 168 " (cutoff:3.500A) Processing sheet with id= 75, first strand: chain 'b' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS b 71 " --> pdb=" O LEU b 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER b 72 " --> pdb=" O VAL b 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL b 254 " --> pdb=" O SER b 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE b 252 " --> pdb=" O PRO b 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU b 248 " --> pdb=" O LEU b 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR b 249 " --> pdb=" O GLY b 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP b 221 " --> pdb=" O VAL b 255 " (cutoff:3.500A) Processing sheet with id= 76, first strand: chain 'b' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG b 137 " --> pdb=" O LEU b 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA b 259 " --> pdb=" O SER b 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA b 212 " --> pdb=" O LEU b 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS b 202 " --> pdb=" O TYR b 168 " (cutoff:3.500A) Processing sheet with id= 77, first strand: chain 'c' and resid 49 through 52 removed outlier: 7.524A pdb=" N LYS c 71 " --> pdb=" O LEU c 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER c 72 " --> pdb=" O VAL c 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL c 254 " --> pdb=" O SER c 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE c 252 " --> pdb=" O PRO c 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU c 248 " --> pdb=" O LEU c 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR c 249 " --> pdb=" O GLY c 227 " (cutoff:3.500A) removed outlier: 7.730A pdb=" N ASP c 221 " --> pdb=" O VAL c 255 " (cutoff:3.500A) Processing sheet with id= 78, first strand: chain 'c' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG c 137 " --> pdb=" O LEU c 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA c 259 " --> pdb=" O SER c 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA c 212 " --> pdb=" O LEU c 263 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N LYS c 202 " --> pdb=" O TYR c 168 " (cutoff:3.500A) Processing sheet with id= 79, first strand: chain 'd' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS d 71 " --> pdb=" O LEU d 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER d 72 " --> pdb=" O VAL d 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL d 254 " --> pdb=" O SER d 72 " (cutoff:3.500A) removed outlier: 7.002A pdb=" N PHE d 252 " --> pdb=" O PRO d 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU d 248 " --> pdb=" O LEU d 78 " (cutoff:3.500A) removed outlier: 6.901A pdb=" N THR d 249 " --> pdb=" O GLY d 227 " (cutoff:3.500A) removed outlier: 7.728A pdb=" N ASP d 221 " --> pdb=" O VAL d 255 " (cutoff:3.500A) Processing sheet with id= 80, first strand: chain 'd' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG d 137 " --> pdb=" O LEU d 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA d 259 " --> pdb=" O SER d 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA d 212 " --> pdb=" O LEU d 263 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N LYS d 202 " --> pdb=" O TYR d 168 " (cutoff:3.500A) Processing sheet with id= 81, first strand: chain 'e' and resid 49 through 52 removed outlier: 7.524A pdb=" N LYS e 71 " --> pdb=" O LEU e 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER e 72 " --> pdb=" O VAL e 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL e 254 " --> pdb=" O SER e 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE e 252 " --> pdb=" O PRO e 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU e 248 " --> pdb=" O LEU e 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR e 249 " --> pdb=" O GLY e 227 " (cutoff:3.500A) removed outlier: 7.728A pdb=" N ASP e 221 " --> pdb=" O VAL e 255 " (cutoff:3.500A) Processing sheet with id= 82, first strand: chain 'e' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG e 137 " --> pdb=" O LEU e 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA e 259 " --> pdb=" O SER e 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA e 212 " --> pdb=" O LEU e 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS e 202 " --> pdb=" O TYR e 168 " (cutoff:3.500A) Processing sheet with id= 83, first strand: chain 'f' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS f 71 " --> pdb=" O LEU f 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER f 72 " --> pdb=" O VAL f 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL f 254 " --> pdb=" O SER f 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE f 252 " --> pdb=" O PRO f 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU f 248 " --> pdb=" O LEU f 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR f 249 " --> pdb=" O GLY f 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP f 221 " --> pdb=" O VAL f 255 " (cutoff:3.500A) Processing sheet with id= 84, first strand: chain 'f' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG f 137 " --> pdb=" O LEU f 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA f 259 " --> pdb=" O SER f 216 " (cutoff:3.500A) removed outlier: 4.245A pdb=" N ALA f 212 " --> pdb=" O LEU f 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS f 202 " --> pdb=" O TYR f 168 " (cutoff:3.500A) Processing sheet with id= 85, first strand: chain 'g' and resid 49 through 52 removed outlier: 7.524A pdb=" N LYS g 71 " --> pdb=" O LEU g 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER g 72 " --> pdb=" O VAL g 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL g 254 " --> pdb=" O SER g 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE g 252 " --> pdb=" O PRO g 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU g 248 " --> pdb=" O LEU g 78 " (cutoff:3.500A) removed outlier: 6.901A pdb=" N THR g 249 " --> pdb=" O GLY g 227 " (cutoff:3.500A) removed outlier: 7.728A pdb=" N ASP g 221 " --> pdb=" O VAL g 255 " (cutoff:3.500A) Processing sheet with id= 86, first strand: chain 'g' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG g 137 " --> pdb=" O LEU g 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA g 259 " --> pdb=" O SER g 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA g 212 " --> pdb=" O LEU g 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS g 202 " --> pdb=" O TYR g 168 " (cutoff:3.500A) Processing sheet with id= 87, first strand: chain 'h' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS h 71 " --> pdb=" O LEU h 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER h 72 " --> pdb=" O VAL h 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL h 254 " --> pdb=" O SER h 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE h 252 " --> pdb=" O PRO h 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU h 248 " --> pdb=" O LEU h 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR h 249 " --> pdb=" O GLY h 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP h 221 " --> pdb=" O VAL h 255 " (cutoff:3.500A) Processing sheet with id= 88, first strand: chain 'h' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG h 137 " --> pdb=" O LEU h 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA h 259 " --> pdb=" O SER h 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA h 212 " --> pdb=" O LEU h 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS h 202 " --> pdb=" O TYR h 168 " (cutoff:3.500A) Processing sheet with id= 89, first strand: chain 'i' and resid 49 through 52 removed outlier: 7.522A pdb=" N LYS i 71 " --> pdb=" O LEU i 52 " (cutoff:3.500A) removed outlier: 14.108A pdb=" N SER i 72 " --> pdb=" O VAL i 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL i 254 " --> pdb=" O SER i 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE i 252 " --> pdb=" O PRO i 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU i 248 " --> pdb=" O LEU i 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR i 249 " --> pdb=" O GLY i 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP i 221 " --> pdb=" O VAL i 255 " (cutoff:3.500A) Processing sheet with id= 90, first strand: chain 'i' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG i 137 " --> pdb=" O LEU i 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA i 259 " --> pdb=" O SER i 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA i 212 " --> pdb=" O LEU i 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS i 202 " --> pdb=" O TYR i 168 " (cutoff:3.500A) Processing sheet with id= 91, first strand: chain 'j' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS j 71 " --> pdb=" O LEU j 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER j 72 " --> pdb=" O VAL j 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL j 254 " --> pdb=" O SER j 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE j 252 " --> pdb=" O PRO j 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU j 248 " --> pdb=" O LEU j 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR j 249 " --> pdb=" O GLY j 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP j 221 " --> pdb=" O VAL j 255 " (cutoff:3.500A) Processing sheet with id= 92, first strand: chain 'j' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG j 137 " --> pdb=" O LEU j 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA j 259 " --> pdb=" O SER j 216 " (cutoff:3.500A) removed outlier: 4.245A pdb=" N ALA j 212 " --> pdb=" O LEU j 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS j 202 " --> pdb=" O TYR j 168 " (cutoff:3.500A) Processing sheet with id= 93, first strand: chain 'k' and resid 49 through 52 removed outlier: 7.524A pdb=" N LYS k 71 " --> pdb=" O LEU k 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER k 72 " --> pdb=" O VAL k 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL k 254 " --> pdb=" O SER k 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE k 252 " --> pdb=" O PRO k 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU k 248 " --> pdb=" O LEU k 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR k 249 " --> pdb=" O GLY k 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP k 221 " --> pdb=" O VAL k 255 " (cutoff:3.500A) Processing sheet with id= 94, first strand: chain 'k' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG k 137 " --> pdb=" O LEU k 260 " (cutoff:3.500A) removed outlier: 7.005A pdb=" N ALA k 259 " --> pdb=" O SER k 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA k 212 " --> pdb=" O LEU k 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS k 202 " --> pdb=" O TYR k 168 " (cutoff:3.500A) Processing sheet with id= 95, first strand: chain 'l' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS l 71 " --> pdb=" O LEU l 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER l 72 " --> pdb=" O VAL l 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL l 254 " --> pdb=" O SER l 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE l 252 " --> pdb=" O PRO l 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU l 248 " --> pdb=" O LEU l 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR l 249 " --> pdb=" O GLY l 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP l 221 " --> pdb=" O VAL l 255 " (cutoff:3.500A) Processing sheet with id= 96, first strand: chain 'l' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG l 137 " --> pdb=" O LEU l 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA l 259 " --> pdb=" O SER l 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA l 212 " --> pdb=" O LEU l 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS l 202 " --> pdb=" O TYR l 168 " (cutoff:3.500A) Processing sheet with id= 97, first strand: chain 'm' and resid 49 through 52 removed outlier: 7.522A pdb=" N LYS m 71 " --> pdb=" O LEU m 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER m 72 " --> pdb=" O VAL m 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL m 254 " --> pdb=" O SER m 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE m 252 " --> pdb=" O PRO m 74 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N GLU m 248 " --> pdb=" O LEU m 78 " (cutoff:3.500A) removed outlier: 6.901A pdb=" N THR m 249 " --> pdb=" O GLY m 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP m 221 " --> pdb=" O VAL m 255 " (cutoff:3.500A) Processing sheet with id= 98, first strand: chain 'm' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG m 137 " --> pdb=" O LEU m 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA m 259 " --> pdb=" O SER m 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA m 212 " --> pdb=" O LEU m 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS m 202 " --> pdb=" O TYR m 168 " (cutoff:3.500A) Processing sheet with id= 99, first strand: chain 'n' and resid 49 through 52 removed outlier: 7.524A pdb=" N LYS n 71 " --> pdb=" O LEU n 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER n 72 " --> pdb=" O VAL n 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL n 254 " --> pdb=" O SER n 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE n 252 " --> pdb=" O PRO n 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU n 248 " --> pdb=" O LEU n 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR n 249 " --> pdb=" O GLY n 227 " (cutoff:3.500A) removed outlier: 7.728A pdb=" N ASP n 221 " --> pdb=" O VAL n 255 " (cutoff:3.500A) Processing sheet with id=100, first strand: chain 'n' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG n 137 " --> pdb=" O LEU n 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA n 259 " --> pdb=" O SER n 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA n 212 " --> pdb=" O LEU n 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS n 202 " --> pdb=" O TYR n 168 " (cutoff:3.500A) Processing sheet with id=101, first strand: chain 'o' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS o 71 " --> pdb=" O LEU o 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER o 72 " --> pdb=" O VAL o 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL o 254 " --> pdb=" O SER o 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE o 252 " --> pdb=" O PRO o 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU o 248 " --> pdb=" O LEU o 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR o 249 " --> pdb=" O GLY o 227 " (cutoff:3.500A) removed outlier: 7.730A pdb=" N ASP o 221 " --> pdb=" O VAL o 255 " (cutoff:3.500A) Processing sheet with id=102, first strand: chain 'o' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG o 137 " --> pdb=" O LEU o 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA o 259 " --> pdb=" O SER o 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA o 212 " --> pdb=" O LEU o 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS o 202 " --> pdb=" O TYR o 168 " (cutoff:3.500A) Processing sheet with id=103, first strand: chain 'p' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS p 71 " --> pdb=" O LEU p 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER p 72 " --> pdb=" O VAL p 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL p 254 " --> pdb=" O SER p 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE p 252 " --> pdb=" O PRO p 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU p 248 " --> pdb=" O LEU p 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR p 249 " --> pdb=" O GLY p 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP p 221 " --> pdb=" O VAL p 255 " (cutoff:3.500A) Processing sheet with id=104, first strand: chain 'p' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG p 137 " --> pdb=" O LEU p 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA p 259 " --> pdb=" O SER p 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA p 212 " --> pdb=" O LEU p 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS p 202 " --> pdb=" O TYR p 168 " (cutoff:3.500A) Processing sheet with id=105, first strand: chain 'q' and resid 49 through 52 removed outlier: 7.524A pdb=" N LYS q 71 " --> pdb=" O LEU q 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER q 72 " --> pdb=" O VAL q 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL q 254 " --> pdb=" O SER q 72 " (cutoff:3.500A) removed outlier: 7.002A pdb=" N PHE q 252 " --> pdb=" O PRO q 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU q 248 " --> pdb=" O LEU q 78 " (cutoff:3.500A) removed outlier: 6.901A pdb=" N THR q 249 " --> pdb=" O GLY q 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP q 221 " --> pdb=" O VAL q 255 " (cutoff:3.500A) Processing sheet with id=106, first strand: chain 'q' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG q 137 " --> pdb=" O LEU q 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA q 259 " --> pdb=" O SER q 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA q 212 " --> pdb=" O LEU q 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS q 202 " --> pdb=" O TYR q 168 " (cutoff:3.500A) Processing sheet with id=107, first strand: chain 'r' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS r 71 " --> pdb=" O LEU r 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER r 72 " --> pdb=" O VAL r 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL r 254 " --> pdb=" O SER r 72 " (cutoff:3.500A) removed outlier: 7.000A pdb=" N PHE r 252 " --> pdb=" O PRO r 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU r 248 " --> pdb=" O LEU r 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR r 249 " --> pdb=" O GLY r 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP r 221 " --> pdb=" O VAL r 255 " (cutoff:3.500A) Processing sheet with id=108, first strand: chain 'r' and resid 137 through 140 removed outlier: 6.264A pdb=" N ARG r 137 " --> pdb=" O LEU r 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA r 259 " --> pdb=" O SER r 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA r 212 " --> pdb=" O LEU r 263 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N LYS r 202 " --> pdb=" O TYR r 168 " (cutoff:3.500A) Processing sheet with id=109, first strand: chain 's' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS s 71 " --> pdb=" O LEU s 52 " (cutoff:3.500A) removed outlier: 14.108A pdb=" N SER s 72 " --> pdb=" O VAL s 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL s 254 " --> pdb=" O SER s 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE s 252 " --> pdb=" O PRO s 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU s 248 " --> pdb=" O LEU s 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR s 249 " --> pdb=" O GLY s 227 " (cutoff:3.500A) removed outlier: 7.728A pdb=" N ASP s 221 " --> pdb=" O VAL s 255 " (cutoff:3.500A) Processing sheet with id=110, first strand: chain 's' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG s 137 " --> pdb=" O LEU s 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA s 259 " --> pdb=" O SER s 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA s 212 " --> pdb=" O LEU s 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS s 202 " --> pdb=" O TYR s 168 " (cutoff:3.500A) Processing sheet with id=111, first strand: chain 't' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS t 71 " --> pdb=" O LEU t 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER t 72 " --> pdb=" O VAL t 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL t 254 " --> pdb=" O SER t 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE t 252 " --> pdb=" O PRO t 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU t 248 " --> pdb=" O LEU t 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR t 249 " --> pdb=" O GLY t 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP t 221 " --> pdb=" O VAL t 255 " (cutoff:3.500A) Processing sheet with id=112, first strand: chain 't' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG t 137 " --> pdb=" O LEU t 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA t 259 " --> pdb=" O SER t 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA t 212 " --> pdb=" O LEU t 263 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LYS t 202 " --> pdb=" O TYR t 168 " (cutoff:3.500A) Processing sheet with id=113, first strand: chain 'u' and resid 49 through 52 removed outlier: 7.524A pdb=" N LYS u 71 " --> pdb=" O LEU u 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER u 72 " --> pdb=" O VAL u 254 " (cutoff:3.500A) removed outlier: 12.925A pdb=" N VAL u 254 " --> pdb=" O SER u 72 " (cutoff:3.500A) removed outlier: 7.002A pdb=" N PHE u 252 " --> pdb=" O PRO u 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU u 248 " --> pdb=" O LEU u 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR u 249 " --> pdb=" O GLY u 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP u 221 " --> pdb=" O VAL u 255 " (cutoff:3.500A) Processing sheet with id=114, first strand: chain 'u' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG u 137 " --> pdb=" O LEU u 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA u 259 " --> pdb=" O SER u 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA u 212 " --> pdb=" O LEU u 263 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N LYS u 202 " --> pdb=" O TYR u 168 " (cutoff:3.500A) Processing sheet with id=115, first strand: chain 'v' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS v 71 " --> pdb=" O LEU v 52 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER v 72 " --> pdb=" O VAL v 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL v 254 " --> pdb=" O SER v 72 " (cutoff:3.500A) removed outlier: 7.002A pdb=" N PHE v 252 " --> pdb=" O PRO v 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU v 248 " --> pdb=" O LEU v 78 " (cutoff:3.500A) removed outlier: 6.901A pdb=" N THR v 249 " --> pdb=" O GLY v 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP v 221 " --> pdb=" O VAL v 255 " (cutoff:3.500A) Processing sheet with id=116, first strand: chain 'v' and resid 137 through 140 removed outlier: 6.264A pdb=" N ARG v 137 " --> pdb=" O LEU v 260 " (cutoff:3.500A) removed outlier: 7.005A pdb=" N ALA v 259 " --> pdb=" O SER v 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA v 212 " --> pdb=" O LEU v 263 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N LYS v 202 " --> pdb=" O TYR v 168 " (cutoff:3.500A) Processing sheet with id=117, first strand: chain 'w' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS w 71 " --> pdb=" O LEU w 52 " (cutoff:3.500A) removed outlier: 14.108A pdb=" N SER w 72 " --> pdb=" O VAL w 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL w 254 " --> pdb=" O SER w 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE w 252 " --> pdb=" O PRO w 74 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N GLU w 248 " --> pdb=" O LEU w 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR w 249 " --> pdb=" O GLY w 227 " (cutoff:3.500A) removed outlier: 7.728A pdb=" N ASP w 221 " --> pdb=" O VAL w 255 " (cutoff:3.500A) Processing sheet with id=118, first strand: chain 'w' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG w 137 " --> pdb=" O LEU w 260 " (cutoff:3.500A) removed outlier: 7.004A pdb=" N ALA w 259 " --> pdb=" O SER w 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA w 212 " --> pdb=" O LEU w 263 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N LYS w 202 " --> pdb=" O TYR w 168 " (cutoff:3.500A) Processing sheet with id=119, first strand: chain 'x' and resid 49 through 52 removed outlier: 7.523A pdb=" N LYS x 71 " --> pdb=" O LEU x 52 " (cutoff:3.500A) removed outlier: 14.108A pdb=" N SER x 72 " --> pdb=" O VAL x 254 " (cutoff:3.500A) removed outlier: 12.924A pdb=" N VAL x 254 " --> pdb=" O SER x 72 " (cutoff:3.500A) removed outlier: 7.001A pdb=" N PHE x 252 " --> pdb=" O PRO x 74 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU x 248 " --> pdb=" O LEU x 78 " (cutoff:3.500A) removed outlier: 6.900A pdb=" N THR x 249 " --> pdb=" O GLY x 227 " (cutoff:3.500A) removed outlier: 7.729A pdb=" N ASP x 221 " --> pdb=" O VAL x 255 " (cutoff:3.500A) Processing sheet with id=120, first strand: chain 'x' and resid 137 through 140 removed outlier: 6.263A pdb=" N ARG x 137 " --> pdb=" O LEU x 260 " (cutoff:3.500A) removed outlier: 7.005A pdb=" N ALA x 259 " --> pdb=" O SER x 216 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N ALA x 212 " --> pdb=" O LEU x 263 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N LYS x 202 " --> pdb=" O TYR x 168 " (cutoff:3.500A) 5040 hydrogen bonds defined for protein. 14940 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: 54.76 Time building geometry restraints manager: 33.49 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: 31516 1.33 - 1.45: 25124 1.45 - 1.57: 75660 1.57 - 1.69: 0 1.69 - 1.81: 300 Bond restraints: 132600 Sorted by residual: bond pdb=" C2 RBF r 301 " pdb=" N3 RBF r 301 " ideal model delta sigma weight residual 1.397 1.336 0.061 2.00e-02 2.50e+03 9.15e+00 bond pdb=" C2 RBF c 301 " pdb=" N3 RBF c 301 " ideal model delta sigma weight residual 1.397 1.337 0.060 2.00e-02 2.50e+03 9.01e+00 bond pdb=" C2 RBF u 301 " pdb=" N3 RBF u 301 " ideal model delta sigma weight residual 1.397 1.337 0.060 2.00e-02 2.50e+03 9.01e+00 bond pdb=" C2 RBF T 301 " pdb=" N3 RBF T 301 " ideal model delta sigma weight residual 1.397 1.337 0.060 2.00e-02 2.50e+03 9.01e+00 bond pdb=" C2 RBF H 301 " pdb=" N3 RBF H 301 " ideal model delta sigma weight residual 1.397 1.337 0.060 2.00e-02 2.50e+03 9.01e+00 ... (remaining 132595 not shown) Histogram of bond angle deviations from ideal: 101.56 - 108.07: 3780 108.07 - 114.58: 76505 114.58 - 121.09: 62375 121.09 - 127.59: 35774 127.59 - 134.10: 726 Bond angle restraints: 179160 Sorted by residual: angle pdb=" N PHE u 250 " pdb=" CA PHE u 250 " pdb=" C PHE u 250 " ideal model delta sigma weight residual 108.60 113.26 -4.66 1.46e+00 4.69e-01 1.02e+01 angle pdb=" N PHE 9 250 " pdb=" CA PHE 9 250 " pdb=" C PHE 9 250 " ideal model delta sigma weight residual 108.60 113.26 -4.66 1.46e+00 4.69e-01 1.02e+01 angle pdb=" N PHE 5 250 " pdb=" CA PHE 5 250 " pdb=" C PHE 5 250 " ideal model delta sigma weight residual 108.60 113.26 -4.66 1.46e+00 4.69e-01 1.02e+01 angle pdb=" N PHE Y 250 " pdb=" CA PHE Y 250 " pdb=" C PHE Y 250 " ideal model delta sigma weight residual 108.60 113.26 -4.66 1.46e+00 4.69e-01 1.02e+01 angle pdb=" N PHE v 250 " pdb=" CA PHE v 250 " pdb=" C PHE v 250 " ideal model delta sigma weight residual 108.60 113.25 -4.65 1.46e+00 4.69e-01 1.02e+01 ... (remaining 179155 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 17.88: 71393 17.88 - 35.77: 6666 35.77 - 53.65: 1861 53.65 - 71.53: 540 71.53 - 89.42: 120 Dihedral angle restraints: 80580 sinusoidal: 34980 harmonic: 45600 Sorted by residual: dihedral pdb=" CA CYS n 197 " pdb=" C CYS n 197 " pdb=" N LEU n 198 " pdb=" CA LEU n 198 " ideal model delta harmonic sigma weight residual 180.00 158.52 21.48 0 5.00e+00 4.00e-02 1.85e+01 dihedral pdb=" CA CYS 4 197 " pdb=" C CYS 4 197 " pdb=" N LEU 4 198 " pdb=" CA LEU 4 198 " ideal model delta harmonic sigma weight residual 180.00 158.52 21.48 0 5.00e+00 4.00e-02 1.85e+01 dihedral pdb=" CA CYS v 197 " pdb=" C CYS v 197 " pdb=" N LEU v 198 " pdb=" CA LEU v 198 " ideal model delta harmonic sigma weight residual 180.00 158.52 21.48 0 5.00e+00 4.00e-02 1.85e+01 ... (remaining 80577 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.061: 16310 0.061 - 0.122: 2951 0.122 - 0.183: 359 0.183 - 0.245: 120 0.245 - 0.306: 60 Chirality restraints: 19800 Sorted by residual: chirality pdb=" C4' RBF s 301 " pdb=" C3' RBF s 301 " pdb=" C5' RBF s 301 " pdb=" O4' RBF s 301 " both_signs ideal model delta sigma weight residual False -2.27 -2.58 0.31 2.00e-01 2.50e+01 2.34e+00 chirality pdb=" C4' RBF 1 301 " pdb=" C3' RBF 1 301 " pdb=" C5' RBF 1 301 " pdb=" O4' RBF 1 301 " both_signs ideal model delta sigma weight residual False -2.27 -2.58 0.31 2.00e-01 2.50e+01 2.33e+00 chirality pdb=" C4' RBF e 301 " pdb=" C3' RBF e 301 " pdb=" C5' RBF e 301 " pdb=" O4' RBF e 301 " both_signs ideal model delta sigma weight residual False -2.27 -2.58 0.30 2.00e-01 2.50e+01 2.32e+00 ... (remaining 19797 not shown) Planarity restraints: 22920 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C LYS W 96 " 0.029 5.00e-02 4.00e+02 4.41e-02 3.11e+00 pdb=" N PRO W 97 " -0.076 5.00e-02 4.00e+02 pdb=" CA PRO W 97 " 0.022 5.00e-02 4.00e+02 pdb=" CD PRO W 97 " 0.025 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C LYS B 96 " 0.029 5.00e-02 4.00e+02 4.40e-02 3.10e+00 pdb=" N PRO B 97 " -0.076 5.00e-02 4.00e+02 pdb=" CA PRO B 97 " 0.022 5.00e-02 4.00e+02 pdb=" CD PRO B 97 " 0.025 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C ASN j 256 " -0.029 5.00e-02 4.00e+02 4.40e-02 3.10e+00 pdb=" N PRO j 257 " 0.076 5.00e-02 4.00e+02 pdb=" CA PRO j 257 " -0.023 5.00e-02 4.00e+02 pdb=" CD PRO j 257 " -0.024 5.00e-02 4.00e+02 ... (remaining 22917 not shown) Histogram of nonbonded interaction distances: 2.37 - 2.88: 45701 2.88 - 3.38: 101300 3.38 - 3.89: 178937 3.89 - 4.39: 200067 4.39 - 4.90: 379773 Nonbonded interactions: 905778 Sorted by model distance: nonbonded pdb=" O2' RBF O 301 " pdb=" O4' RBF O 301 " model vdw 2.374 2.440 nonbonded pdb=" O2' RBF d 301 " pdb=" O4' RBF d 301 " model vdw 2.374 2.440 nonbonded pdb=" O2' RBF v 301 " pdb=" O4' RBF v 301 " model vdw 2.374 2.440 nonbonded pdb=" O2' RBF 4 301 " pdb=" O4' RBF 4 301 " model vdw 2.374 2.440 nonbonded pdb=" O2' RBF s 301 " pdb=" O4' RBF s 301 " model vdw 2.374 2.440 ... (remaining 905773 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: 2.140 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.050 Construct map_model_manager: 0.130 Extract box with map and model: 16.300 Check model and map are aligned: 1.360 Set scattering table: 0.850 Process input model: 253.750 Find NCS groups from input model: 6.950 Set up NCS constraints: 1.630 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:10.850 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 294.020 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8301 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 : 0.006 0.061 132600 Z= 0.384 Angle : 0.906 7.858 179160 Z= 0.499 Chirality : 0.052 0.306 19800 Planarity : 0.006 0.044 22920 Dihedral : 16.369 89.418 51060 Min Nonbonded Distance : 2.374 Molprobity Statistics. All-atom Clashscore : 1.98 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.34 % Favored : 94.66 % Rotamer: Outliers : 5.56 % Allowed : 11.97 % Favored : 82.48 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.45 (0.06), residues: 15720 helix: 1.13 (0.07), residues: 4740 sheet: -0.86 (0.10), residues: 2520 loop : -2.35 (0.06), residues: 8460 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.008 0.001 TRP j 45 HIS 0.003 0.002 HIS P 50 PHE 0.011 0.002 PHE c 252 TYR 0.013 0.002 TYR D 47 ARG 0.004 0.001 ARG J 208 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31440 Ramachandran restraints generated. 15720 Oldfield, 0 Emsley, 15720 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31440 Ramachandran restraints generated. 15720 Oldfield, 0 Emsley, 15720 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1685 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 780 poor density : 905 time to evaluate : 11.077 Fit side-chains REVERT: C 24 ARG cc_start: 0.7803 (ttm110) cc_final: 0.7304 (ttm110) REVERT: D 93 GLU cc_start: 0.8349 (OUTLIER) cc_final: 0.6813 (mp0) REVERT: I 24 ARG cc_start: 0.7802 (ttm110) cc_final: 0.7306 (ttm110) REVERT: J 93 GLU cc_start: 0.8349 (OUTLIER) cc_final: 0.6810 (mp0) REVERT: K 93 GLU cc_start: 0.8359 (OUTLIER) cc_final: 0.6806 (mp0) REVERT: O 24 ARG cc_start: 0.7800 (ttm110) cc_final: 0.7305 (ttm110) REVERT: P 24 ARG cc_start: 0.7802 (ttm110) cc_final: 0.7281 (ttm110) REVERT: Q 93 GLU cc_start: 0.8358 (OUTLIER) cc_final: 0.6806 (mp0) REVERT: X 24 ARG cc_start: 0.7798 (ttm110) cc_final: 0.7302 (ttm110) REVERT: Y 93 GLU cc_start: 0.8356 (OUTLIER) cc_final: 0.6817 (mp0) REVERT: 1 24 ARG cc_start: 0.7801 (ttm110) cc_final: 0.7307 (ttm110) REVERT: 2 93 GLU cc_start: 0.8358 (OUTLIER) cc_final: 0.6816 (mp0) REVERT: 4 24 ARG cc_start: 0.7802 (ttm110) cc_final: 0.7305 (ttm110) REVERT: 5 93 GLU cc_start: 0.8349 (OUTLIER) cc_final: 0.6811 (mp0) REVERT: 9 93 GLU cc_start: 0.8356 (OUTLIER) cc_final: 0.6819 (mp0) REVERT: e 24 ARG cc_start: 0.7801 (ttm110) cc_final: 0.7305 (ttm110) REVERT: f 93 GLU cc_start: 0.8353 (OUTLIER) cc_final: 0.6803 (mp0) REVERT: i 117 GLU cc_start: 0.7942 (OUTLIER) cc_final: 0.7521 (tp30) REVERT: j 93 GLU cc_start: 0.8355 (OUTLIER) cc_final: 0.6814 (mp0) REVERT: n 24 ARG cc_start: 0.7801 (ttm110) cc_final: 0.7302 (ttm110) REVERT: r 24 ARG cc_start: 0.7806 (ttm110) cc_final: 0.7310 (ttm110) REVERT: s 93 GLU cc_start: 0.8356 (OUTLIER) cc_final: 0.6819 (mp0) REVERT: v 24 ARG cc_start: 0.7800 (ttm110) cc_final: 0.7304 (ttm110) REVERT: w 93 GLU cc_start: 0.8355 (OUTLIER) cc_final: 0.6803 (mp0) outliers start: 780 outliers final: 96 residues processed: 1486 average time/residue: 2.3945 time to fit residues: 4685.0005 Evaluate side-chains 740 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 109 poor density : 631 time to evaluate : 10.990 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 249 THR Chi-restraints excluded: chain B residue 260 LEU Chi-restraints excluded: chain C residue 249 THR Chi-restraints excluded: chain C residue 264 LYS Chi-restraints excluded: chain D residue 93 GLU Chi-restraints excluded: chain D residue 249 THR Chi-restraints excluded: chain D residue 260 LEU Chi-restraints excluded: chain E residue 75 LEU Chi-restraints excluded: chain E residue 249 THR Chi-restraints excluded: chain F residue 75 LEU Chi-restraints excluded: chain F residue 249 THR Chi-restraints excluded: chain G residue 249 THR Chi-restraints excluded: chain H residue 260 LEU Chi-restraints excluded: chain I residue 249 THR Chi-restraints excluded: chain I residue 264 LYS Chi-restraints excluded: chain J residue 93 GLU Chi-restraints excluded: chain J residue 249 THR Chi-restraints excluded: chain J residue 260 LEU Chi-restraints excluded: chain K residue 93 GLU Chi-restraints excluded: chain K residue 249 THR Chi-restraints excluded: chain K residue 260 LEU Chi-restraints excluded: chain L residue 75 LEU Chi-restraints excluded: chain L residue 249 THR Chi-restraints excluded: chain M residue 249 THR Chi-restraints excluded: chain N residue 260 LEU Chi-restraints excluded: chain O residue 249 THR Chi-restraints excluded: chain O residue 264 LYS Chi-restraints excluded: chain P residue 249 THR Chi-restraints excluded: chain P residue 264 LYS Chi-restraints excluded: chain Q residue 93 GLU Chi-restraints excluded: chain Q residue 249 THR Chi-restraints excluded: chain Q residue 260 LEU Chi-restraints excluded: chain R residue 75 LEU Chi-restraints excluded: chain R residue 249 THR Chi-restraints excluded: chain S residue 249 THR Chi-restraints excluded: chain T residue 260 LEU Chi-restraints excluded: chain U residue 75 LEU Chi-restraints excluded: chain U residue 249 THR Chi-restraints excluded: chain V residue 249 THR Chi-restraints excluded: chain W residue 260 LEU Chi-restraints excluded: chain X residue 249 THR Chi-restraints excluded: chain X residue 264 LYS Chi-restraints excluded: chain Y residue 93 GLU Chi-restraints excluded: chain Y residue 249 THR Chi-restraints excluded: chain Y residue 260 LEU Chi-restraints excluded: chain Z residue 249 THR Chi-restraints excluded: chain 0 residue 260 LEU Chi-restraints excluded: chain 1 residue 249 THR Chi-restraints excluded: chain 1 residue 264 LYS Chi-restraints excluded: chain 2 residue 93 GLU Chi-restraints excluded: chain 2 residue 249 THR Chi-restraints excluded: chain 2 residue 260 LEU Chi-restraints excluded: chain 3 residue 75 LEU Chi-restraints excluded: chain 3 residue 249 THR Chi-restraints excluded: chain 4 residue 249 THR Chi-restraints excluded: chain 4 residue 264 LYS Chi-restraints excluded: chain 5 residue 93 GLU Chi-restraints excluded: chain 5 residue 249 THR Chi-restraints excluded: chain 5 residue 260 LEU Chi-restraints excluded: chain 6 residue 75 LEU Chi-restraints excluded: chain 6 residue 249 THR Chi-restraints excluded: chain 7 residue 249 THR Chi-restraints excluded: chain 8 residue 260 LEU Chi-restraints excluded: chain 9 residue 93 GLU Chi-restraints excluded: chain 9 residue 249 THR Chi-restraints excluded: chain 9 residue 260 LEU Chi-restraints excluded: chain a residue 75 LEU Chi-restraints excluded: chain a residue 249 THR Chi-restraints excluded: chain b residue 249 THR Chi-restraints excluded: chain c residue 260 LEU Chi-restraints excluded: chain d residue 249 THR Chi-restraints excluded: chain d residue 264 LYS Chi-restraints excluded: chain e residue 249 THR Chi-restraints excluded: chain e residue 264 LYS Chi-restraints excluded: chain f residue 93 GLU Chi-restraints excluded: chain f residue 249 THR Chi-restraints excluded: chain f residue 260 LEU Chi-restraints excluded: chain g residue 75 LEU Chi-restraints excluded: chain g residue 249 THR Chi-restraints excluded: chain h residue 249 THR Chi-restraints excluded: chain i residue 117 GLU Chi-restraints excluded: chain i residue 260 LEU Chi-restraints excluded: chain j residue 93 GLU Chi-restraints excluded: chain j residue 249 THR Chi-restraints excluded: chain j residue 260 LEU Chi-restraints excluded: chain k residue 75 LEU Chi-restraints excluded: chain k residue 249 THR Chi-restraints excluded: chain l residue 249 THR Chi-restraints excluded: chain m residue 260 LEU Chi-restraints excluded: chain n residue 249 THR Chi-restraints excluded: chain n residue 264 LYS Chi-restraints excluded: chain o residue 75 LEU Chi-restraints excluded: chain o residue 249 THR Chi-restraints excluded: chain p residue 249 THR Chi-restraints excluded: chain q residue 260 LEU Chi-restraints excluded: chain r residue 249 THR Chi-restraints excluded: chain r residue 264 LYS Chi-restraints excluded: chain s residue 93 GLU Chi-restraints excluded: chain s residue 249 THR Chi-restraints excluded: chain s residue 260 LEU Chi-restraints excluded: chain t residue 249 THR Chi-restraints excluded: chain u residue 260 LEU Chi-restraints excluded: chain v residue 249 THR Chi-restraints excluded: chain v residue 264 LYS Chi-restraints excluded: chain w residue 93 GLU Chi-restraints excluded: chain w residue 249 THR Chi-restraints excluded: chain w residue 260 LEU Chi-restraints excluded: chain x residue 75 LEU Chi-restraints excluded: chain x residue 249 THR Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 1317 optimal weight: 6.9990 chunk 1182 optimal weight: 10.0000 chunk 656 optimal weight: 3.9990 chunk 403 optimal weight: 9.9990 chunk 797 optimal weight: 6.9990 chunk 631 optimal weight: 7.9990 chunk 1222 optimal weight: 0.6980 chunk 473 optimal weight: 10.0000 chunk 743 optimal weight: 9.9990 chunk 910 optimal weight: 5.9990 chunk 1416 optimal weight: 9.9990 overall best weight: 4.9388 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: D 173 ASN E 173 ASN E 179 ASN F 173 ASN F 179 ASN J 173 ASN K 173 ASN L 173 ASN L 179 ASN Q 173 ASN R 173 ASN R 179 ASN U 173 ASN U 179 ASN Y 173 ASN 2 173 ASN 3 173 ASN 3 179 ASN 5 173 ASN 6 173 ASN 6 179 ASN 9 173 ASN a 173 ASN a 179 ASN f 173 ASN g 173 ASN g 179 ASN j 173 ASN k 173 ASN k 179 ASN o 173 ASN o 179 ASN s 173 ASN w 173 ASN x 173 ASN x 179 ASN Total number of N/Q/H flips: 36 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8319 moved from start: 0.1071 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.033 132600 Z= 0.339 Angle : 0.787 7.808 179160 Z= 0.419 Chirality : 0.048 0.171 19800 Planarity : 0.007 0.058 22920 Dihedral : 8.329 48.908 18327 Min Nonbonded Distance : 2.346 Molprobity Statistics. All-atom Clashscore : 2.01 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.49 % Favored : 95.51 % Rotamer: Outliers : 3.10 % Allowed : 18.17 % Favored : 78.73 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.42 (0.06), residues: 15720 helix: 1.12 (0.07), residues: 4740 sheet: -0.99 (0.09), residues: 2700 loop : -2.28 (0.06), residues: 8280 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.007 0.001 TRP t 45 HIS 0.005 0.002 HIS k 50 PHE 0.013 0.002 PHE 3 36 TYR 0.011 0.002 TYR X 47 ARG 0.006 0.001 ARG G 208 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31440 Ramachandran restraints generated. 15720 Oldfield, 0 Emsley, 15720 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31440 Ramachandran restraints generated. 15720 Oldfield, 0 Emsley, 15720 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1204 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 435 poor density : 769 time to evaluate : 11.137 Fit side-chains REVERT: C 24 ARG cc_start: 0.7860 (ttm110) cc_final: 0.7513 (ttp80) REVERT: C 133 SER cc_start: 0.8788 (OUTLIER) cc_final: 0.8525 (p) REVERT: C 193 ARG cc_start: 0.6661 (OUTLIER) cc_final: 0.6069 (mmt90) REVERT: D 93 GLU cc_start: 0.8336 (OUTLIER) cc_final: 0.6819 (mp0) REVERT: D 124 GLU cc_start: 0.7456 (OUTLIER) cc_final: 0.7204 (tm-30) REVERT: I 24 ARG cc_start: 0.7860 (ttm110) cc_final: 0.7515 (ttp80) REVERT: I 133 SER cc_start: 0.8792 (OUTLIER) cc_final: 0.8530 (p) REVERT: I 193 ARG cc_start: 0.6662 (OUTLIER) cc_final: 0.6064 (mmt90) REVERT: J 93 GLU cc_start: 0.8338 (OUTLIER) cc_final: 0.6817 (mp0) REVERT: J 124 GLU cc_start: 0.7456 (OUTLIER) cc_final: 0.7199 (tm-30) REVERT: K 93 GLU cc_start: 0.8338 (OUTLIER) cc_final: 0.6821 (mp0) REVERT: K 124 GLU cc_start: 0.7457 (OUTLIER) cc_final: 0.7205 (tm-30) REVERT: O 24 ARG cc_start: 0.7858 (ttm110) cc_final: 0.7517 (ttp80) REVERT: O 133 SER cc_start: 0.8789 (OUTLIER) cc_final: 0.8526 (p) REVERT: O 193 ARG cc_start: 0.6648 (OUTLIER) cc_final: 0.6059 (mmt90) REVERT: P 24 ARG cc_start: 0.7860 (ttm110) cc_final: 0.7516 (ttp80) REVERT: P 133 SER cc_start: 0.8787 (OUTLIER) cc_final: 0.8524 (p) REVERT: P 193 ARG cc_start: 0.6656 (OUTLIER) cc_final: 0.6063 (mmt90) REVERT: Q 93 GLU cc_start: 0.8338 (OUTLIER) cc_final: 0.6823 (mp0) REVERT: Q 124 GLU cc_start: 0.7459 (OUTLIER) cc_final: 0.7207 (tm-30) REVERT: X 24 ARG cc_start: 0.7857 (ttm110) cc_final: 0.7514 (ttp80) REVERT: X 133 SER cc_start: 0.8794 (OUTLIER) cc_final: 0.8531 (p) REVERT: X 193 ARG cc_start: 0.6660 (OUTLIER) cc_final: 0.6065 (mmt90) REVERT: Y 93 GLU cc_start: 0.8345 (OUTLIER) cc_final: 0.6823 (mp0) REVERT: Y 124 GLU cc_start: 0.7457 (OUTLIER) cc_final: 0.7204 (tm-30) REVERT: 1 24 ARG cc_start: 0.7859 (ttm110) cc_final: 0.7519 (ttp80) REVERT: 1 133 SER cc_start: 0.8790 (OUTLIER) cc_final: 0.8526 (p) REVERT: 1 193 ARG cc_start: 0.6649 (OUTLIER) cc_final: 0.6059 (mmt90) REVERT: 2 93 GLU cc_start: 0.8346 (OUTLIER) cc_final: 0.6822 (mp0) REVERT: 2 124 GLU cc_start: 0.7470 (OUTLIER) cc_final: 0.7213 (tm-30) REVERT: 4 24 ARG cc_start: 0.7859 (ttm110) cc_final: 0.7513 (ttp80) REVERT: 4 133 SER cc_start: 0.8790 (OUTLIER) cc_final: 0.8528 (p) REVERT: 4 193 ARG cc_start: 0.6662 (OUTLIER) cc_final: 0.6066 (mmt90) REVERT: 5 93 GLU cc_start: 0.8337 (OUTLIER) cc_final: 0.6813 (mp0) REVERT: 5 124 GLU cc_start: 0.7469 (OUTLIER) cc_final: 0.7216 (tm-30) REVERT: 9 93 GLU cc_start: 0.8339 (OUTLIER) cc_final: 0.6821 (mp0) REVERT: 9 124 GLU cc_start: 0.7459 (OUTLIER) cc_final: 0.7206 (tm-30) REVERT: d 24 ARG cc_start: 0.7850 (ttm110) cc_final: 0.7408 (ttm110) REVERT: d 133 SER cc_start: 0.8793 (OUTLIER) cc_final: 0.8527 (p) REVERT: d 193 ARG cc_start: 0.6657 (OUTLIER) cc_final: 0.6063 (mmt90) REVERT: e 24 ARG cc_start: 0.7858 (ttm110) cc_final: 0.7513 (ttp80) REVERT: e 133 SER cc_start: 0.8793 (OUTLIER) cc_final: 0.8527 (p) REVERT: e 193 ARG cc_start: 0.6658 (OUTLIER) cc_final: 0.6064 (mmt90) REVERT: f 93 GLU cc_start: 0.8331 (OUTLIER) cc_final: 0.6818 (mp0) REVERT: f 124 GLU cc_start: 0.7458 (OUTLIER) cc_final: 0.7206 (tm-30) REVERT: j 93 GLU cc_start: 0.8343 (OUTLIER) cc_final: 0.6818 (mp0) REVERT: j 124 GLU cc_start: 0.7471 (OUTLIER) cc_final: 0.7218 (tm-30) REVERT: n 24 ARG cc_start: 0.7860 (ttm110) cc_final: 0.7515 (ttp80) REVERT: n 133 SER cc_start: 0.8795 (OUTLIER) cc_final: 0.8530 (p) REVERT: n 193 ARG cc_start: 0.6657 (OUTLIER) cc_final: 0.6062 (mmt90) REVERT: r 24 ARG cc_start: 0.7859 (ttm110) cc_final: 0.7516 (ttp80) REVERT: r 133 SER cc_start: 0.8794 (OUTLIER) cc_final: 0.8529 (p) REVERT: s 93 GLU cc_start: 0.8339 (OUTLIER) cc_final: 0.6821 (mp0) REVERT: s 124 GLU cc_start: 0.7471 (OUTLIER) cc_final: 0.7215 (tm-30) REVERT: v 24 ARG cc_start: 0.7858 (ttm110) cc_final: 0.7514 (ttp80) REVERT: v 133 SER cc_start: 0.8795 (OUTLIER) cc_final: 0.8528 (p) REVERT: w 93 GLU cc_start: 0.8335 (OUTLIER) cc_final: 0.6821 (mp0) REVERT: w 124 GLU cc_start: 0.7453 (OUTLIER) cc_final: 0.7204 (tm-30) outliers start: 435 outliers final: 192 residues processed: 1128 average time/residue: 2.2521 time to fit residues: 3406.6021 Evaluate side-chains 913 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 238 poor density : 675 time to evaluate : 10.934 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 75 LEU Chi-restraints excluded: chain A residue 124 GLU Chi-restraints excluded: chain A residue 249 THR Chi-restraints excluded: chain A residue 260 LEU Chi-restraints excluded: chain B residue 133 SER Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 260 LEU Chi-restraints excluded: chain C residue 133 SER Chi-restraints excluded: chain C residue 159 PHE Chi-restraints excluded: chain C residue 193 ARG Chi-restraints excluded: chain C residue 249 THR Chi-restraints excluded: chain C residue 264 LYS Chi-restraints excluded: chain D residue 93 GLU Chi-restraints excluded: chain D residue 124 GLU Chi-restraints excluded: chain D residue 249 THR Chi-restraints excluded: chain D residue 260 LEU Chi-restraints excluded: chain E residue 75 LEU Chi-restraints excluded: chain E residue 144 THR Chi-restraints excluded: chain E residue 159 PHE Chi-restraints excluded: chain E residue 249 THR Chi-restraints excluded: chain F residue 75 LEU Chi-restraints excluded: chain F residue 144 THR Chi-restraints excluded: chain F residue 156 LEU Chi-restraints excluded: chain F residue 159 PHE Chi-restraints excluded: chain F residue 249 THR Chi-restraints excluded: chain G residue 75 LEU Chi-restraints excluded: chain G residue 124 GLU Chi-restraints excluded: chain G residue 249 THR Chi-restraints excluded: chain G residue 260 LEU Chi-restraints excluded: chain H residue 133 SER Chi-restraints excluded: chain H residue 210 GLU Chi-restraints excluded: chain H residue 260 LEU Chi-restraints excluded: chain I residue 133 SER Chi-restraints excluded: chain I residue 159 PHE Chi-restraints excluded: chain I residue 193 ARG Chi-restraints excluded: chain I residue 249 THR Chi-restraints excluded: chain I residue 264 LYS Chi-restraints excluded: chain J residue 93 GLU Chi-restraints excluded: chain J residue 124 GLU Chi-restraints excluded: chain J residue 249 THR Chi-restraints excluded: chain J residue 260 LEU Chi-restraints excluded: chain K residue 93 GLU Chi-restraints excluded: chain K residue 124 GLU Chi-restraints excluded: chain K residue 249 THR Chi-restraints excluded: chain K residue 260 LEU Chi-restraints excluded: chain L residue 75 LEU Chi-restraints excluded: chain L residue 156 LEU Chi-restraints excluded: chain L residue 159 PHE Chi-restraints excluded: chain L residue 249 THR Chi-restraints excluded: chain M residue 75 LEU Chi-restraints excluded: chain M residue 124 GLU Chi-restraints excluded: chain M residue 249 THR Chi-restraints excluded: chain M residue 260 LEU Chi-restraints excluded: chain N residue 133 SER Chi-restraints excluded: chain N residue 210 GLU Chi-restraints excluded: chain N residue 260 LEU Chi-restraints excluded: chain O residue 133 SER Chi-restraints excluded: chain O residue 159 PHE Chi-restraints excluded: chain O residue 193 ARG Chi-restraints excluded: chain O residue 249 THR Chi-restraints excluded: chain O residue 264 LYS Chi-restraints excluded: chain P residue 133 SER Chi-restraints excluded: chain P residue 159 PHE Chi-restraints excluded: chain P residue 193 ARG Chi-restraints excluded: chain P residue 249 THR Chi-restraints excluded: chain P residue 264 LYS Chi-restraints excluded: chain Q residue 93 GLU Chi-restraints excluded: chain Q residue 124 GLU Chi-restraints excluded: chain Q residue 249 THR Chi-restraints excluded: chain Q residue 260 LEU Chi-restraints excluded: chain R residue 75 LEU Chi-restraints excluded: chain R residue 156 LEU Chi-restraints excluded: chain R residue 159 PHE Chi-restraints excluded: chain R residue 249 THR Chi-restraints excluded: chain S residue 75 LEU Chi-restraints excluded: chain S residue 124 GLU Chi-restraints excluded: chain S residue 249 THR Chi-restraints excluded: chain S residue 260 LEU Chi-restraints excluded: chain T residue 133 SER Chi-restraints excluded: chain T residue 210 GLU Chi-restraints excluded: chain T residue 260 LEU Chi-restraints excluded: chain U residue 75 LEU Chi-restraints excluded: chain U residue 144 THR Chi-restraints excluded: chain U residue 156 LEU Chi-restraints excluded: chain U residue 159 PHE Chi-restraints excluded: chain U residue 249 THR Chi-restraints excluded: chain V residue 75 LEU Chi-restraints excluded: chain V residue 124 GLU Chi-restraints excluded: chain V residue 249 THR Chi-restraints excluded: chain V residue 260 LEU Chi-restraints excluded: chain W residue 133 SER Chi-restraints excluded: chain W residue 210 GLU Chi-restraints excluded: chain W residue 260 LEU Chi-restraints excluded: chain X residue 133 SER Chi-restraints excluded: chain X residue 159 PHE Chi-restraints excluded: chain X residue 193 ARG Chi-restraints excluded: chain X residue 249 THR Chi-restraints excluded: chain X residue 264 LYS Chi-restraints excluded: chain Y residue 93 GLU Chi-restraints excluded: chain Y residue 124 GLU Chi-restraints excluded: chain Y residue 249 THR Chi-restraints excluded: chain Y residue 260 LEU Chi-restraints excluded: chain Z residue 75 LEU Chi-restraints excluded: chain Z residue 124 GLU Chi-restraints excluded: chain Z residue 249 THR Chi-restraints excluded: chain Z residue 260 LEU Chi-restraints excluded: chain 0 residue 133 SER Chi-restraints excluded: chain 0 residue 210 GLU Chi-restraints excluded: chain 0 residue 260 LEU Chi-restraints excluded: chain 1 residue 133 SER Chi-restraints excluded: chain 1 residue 159 PHE Chi-restraints excluded: chain 1 residue 193 ARG Chi-restraints excluded: chain 1 residue 249 THR Chi-restraints excluded: chain 1 residue 264 LYS Chi-restraints excluded: chain 2 residue 93 GLU Chi-restraints excluded: chain 2 residue 124 GLU Chi-restraints excluded: chain 2 residue 249 THR Chi-restraints excluded: chain 2 residue 260 LEU Chi-restraints excluded: chain 3 residue 75 LEU Chi-restraints excluded: chain 3 residue 156 LEU Chi-restraints excluded: chain 3 residue 159 PHE Chi-restraints excluded: chain 3 residue 249 THR Chi-restraints excluded: chain 4 residue 133 SER Chi-restraints excluded: chain 4 residue 159 PHE Chi-restraints excluded: chain 4 residue 193 ARG Chi-restraints excluded: chain 4 residue 249 THR Chi-restraints excluded: chain 4 residue 264 LYS Chi-restraints excluded: chain 5 residue 93 GLU Chi-restraints excluded: chain 5 residue 124 GLU Chi-restraints excluded: chain 5 residue 249 THR Chi-restraints excluded: chain 5 residue 260 LEU Chi-restraints excluded: chain 6 residue 75 LEU Chi-restraints excluded: chain 6 residue 144 THR Chi-restraints excluded: chain 6 residue 156 LEU Chi-restraints excluded: chain 6 residue 159 PHE Chi-restraints excluded: chain 6 residue 249 THR Chi-restraints excluded: chain 7 residue 75 LEU Chi-restraints excluded: chain 7 residue 124 GLU Chi-restraints excluded: chain 7 residue 249 THR Chi-restraints excluded: chain 7 residue 260 LEU Chi-restraints excluded: chain 8 residue 133 SER Chi-restraints excluded: chain 8 residue 210 GLU Chi-restraints excluded: chain 8 residue 260 LEU Chi-restraints excluded: chain 9 residue 93 GLU Chi-restraints excluded: chain 9 residue 124 GLU Chi-restraints excluded: chain 9 residue 249 THR Chi-restraints excluded: chain 9 residue 260 LEU Chi-restraints excluded: chain a residue 75 LEU Chi-restraints excluded: chain a residue 159 PHE Chi-restraints excluded: chain a residue 249 THR Chi-restraints excluded: chain b residue 75 LEU Chi-restraints excluded: chain b residue 124 GLU Chi-restraints excluded: chain b residue 249 THR Chi-restraints excluded: chain b residue 260 LEU Chi-restraints excluded: chain c residue 133 SER Chi-restraints excluded: chain c residue 210 GLU Chi-restraints excluded: chain c residue 260 LEU Chi-restraints excluded: chain d residue 133 SER Chi-restraints excluded: chain d residue 159 PHE Chi-restraints excluded: chain d residue 193 ARG Chi-restraints excluded: chain d residue 249 THR Chi-restraints excluded: chain d residue 264 LYS Chi-restraints excluded: chain e residue 133 SER Chi-restraints excluded: chain e residue 159 PHE Chi-restraints excluded: chain e residue 193 ARG Chi-restraints excluded: chain e residue 249 THR Chi-restraints excluded: chain e residue 264 LYS Chi-restraints excluded: chain f residue 93 GLU Chi-restraints excluded: chain f residue 124 GLU Chi-restraints excluded: chain f residue 249 THR Chi-restraints excluded: chain f residue 260 LEU Chi-restraints excluded: chain g residue 75 LEU Chi-restraints excluded: chain g residue 156 LEU Chi-restraints excluded: chain g residue 159 PHE Chi-restraints excluded: chain g residue 249 THR Chi-restraints excluded: chain h residue 75 LEU Chi-restraints excluded: chain h residue 124 GLU Chi-restraints excluded: chain h residue 249 THR Chi-restraints excluded: chain h residue 260 LEU Chi-restraints excluded: chain i residue 133 SER Chi-restraints excluded: chain i residue 210 GLU Chi-restraints excluded: chain i residue 260 LEU Chi-restraints excluded: chain j residue 93 GLU Chi-restraints excluded: chain j residue 124 GLU Chi-restraints excluded: chain j residue 249 THR Chi-restraints excluded: chain j residue 260 LEU Chi-restraints excluded: chain k residue 75 LEU Chi-restraints excluded: chain k residue 156 LEU Chi-restraints excluded: chain k residue 159 PHE Chi-restraints excluded: chain k residue 249 THR Chi-restraints excluded: chain l residue 75 LEU Chi-restraints excluded: chain l residue 124 GLU Chi-restraints excluded: chain l residue 249 THR Chi-restraints excluded: chain l residue 260 LEU Chi-restraints excluded: chain m residue 133 SER Chi-restraints excluded: chain m residue 210 GLU Chi-restraints excluded: chain m residue 260 LEU Chi-restraints excluded: chain n residue 133 SER Chi-restraints excluded: chain n residue 159 PHE Chi-restraints excluded: chain n residue 193 ARG Chi-restraints excluded: chain n residue 249 THR Chi-restraints excluded: chain n residue 264 LYS Chi-restraints excluded: chain o residue 75 LEU Chi-restraints excluded: chain o residue 159 PHE Chi-restraints excluded: chain o residue 249 THR Chi-restraints excluded: chain p residue 75 LEU Chi-restraints excluded: chain p residue 124 GLU Chi-restraints excluded: chain p residue 249 THR Chi-restraints excluded: chain p residue 260 LEU Chi-restraints excluded: chain q residue 133 SER Chi-restraints excluded: chain q residue 210 GLU Chi-restraints excluded: chain q residue 260 LEU Chi-restraints excluded: chain r residue 133 SER Chi-restraints excluded: chain r residue 159 PHE Chi-restraints excluded: chain r residue 249 THR Chi-restraints excluded: chain r residue 264 LYS Chi-restraints excluded: chain s residue 93 GLU Chi-restraints excluded: chain s residue 124 GLU Chi-restraints excluded: chain s residue 249 THR Chi-restraints excluded: chain s residue 260 LEU Chi-restraints excluded: chain t residue 75 LEU Chi-restraints excluded: chain t residue 124 GLU Chi-restraints excluded: chain t residue 249 THR Chi-restraints excluded: chain t residue 260 LEU Chi-restraints excluded: chain u residue 133 SER Chi-restraints excluded: chain u residue 210 GLU Chi-restraints excluded: chain u residue 260 LEU Chi-restraints excluded: chain v residue 133 SER Chi-restraints excluded: chain v residue 159 PHE Chi-restraints excluded: chain v residue 249 THR Chi-restraints excluded: chain v residue 264 LYS Chi-restraints excluded: chain w residue 93 GLU Chi-restraints excluded: chain w residue 124 GLU Chi-restraints excluded: chain w residue 249 THR Chi-restraints excluded: chain w residue 260 LEU Chi-restraints excluded: chain x residue 75 LEU Chi-restraints excluded: chain x residue 159 PHE Chi-restraints excluded: chain x residue 249 THR Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 787 optimal weight: 3.9990 chunk 439 optimal weight: 0.9990 chunk 1179 optimal weight: 3.9990 chunk 964 optimal weight: 10.0000 chunk 390 optimal weight: 0.4980 chunk 1419 optimal weight: 5.9990 chunk 1533 optimal weight: 5.9990 chunk 1263 optimal weight: 6.9990 chunk 1407 optimal weight: 5.9990 chunk 483 optimal weight: 10.0000 chunk 1138 optimal weight: 9.9990 overall best weight: 3.0988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8257 moved from start: 0.1398 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.026 132600 Z= 0.234 Angle : 0.648 5.880 179160 Z= 0.349 Chirality : 0.045 0.158 19800 Planarity : 0.006 0.056 22920 Dihedral : 7.415 47.263 18324 Min Nonbonded Distance : 2.356 Molprobity Statistics. All-atom Clashscore : 2.03 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.66 % Favored : 96.34 % Rotamer: Outliers : 2.36 % Allowed : 22.76 % Favored : 74.88 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.26 (0.06), residues: 15720 helix: 1.42 (0.07), residues: 4740 sheet: -0.64 (0.10), residues: 2520 loop : -2.37 (0.06), residues: 8460 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.001 TRP C 16 HIS 0.003 0.002 HIS k 50 PHE 0.011 0.002 PHE L 36 TYR 0.008 0.001 TYR 1 47 ARG 0.004 0.000 ARG S 208 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31440 Ramachandran restraints generated. 15720 Oldfield, 0 Emsley, 15720 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31440 Ramachandran restraints generated. 15720 Oldfield, 0 Emsley, 15720 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 995 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 331 poor density : 664 time to evaluate : 11.131 Fit side-chains REVERT: B 229 ASP cc_start: 0.7392 (OUTLIER) cc_final: 0.6862 (m-30) REVERT: C 24 ARG cc_start: 0.7831 (ttm110) cc_final: 0.7516 (ttp80) REVERT: C 193 ARG cc_start: 0.6646 (OUTLIER) cc_final: 0.6083 (mmt90) REVERT: D 93 GLU cc_start: 0.8343 (OUTLIER) cc_final: 0.6874 (mp0) REVERT: H 229 ASP cc_start: 0.7389 (OUTLIER) cc_final: 0.6860 (m-30) REVERT: I 24 ARG cc_start: 0.7837 (ttm110) cc_final: 0.7519 (ttp80) REVERT: I 193 ARG cc_start: 0.6649 (OUTLIER) cc_final: 0.6082 (mmt90) REVERT: J 93 GLU cc_start: 0.8346 (OUTLIER) cc_final: 0.6874 (mp0) REVERT: N 229 ASP cc_start: 0.7400 (OUTLIER) cc_final: 0.6882 (m-30) REVERT: O 24 ARG cc_start: 0.7831 (ttm110) cc_final: 0.7524 (ttp80) REVERT: O 193 ARG cc_start: 0.6641 (OUTLIER) cc_final: 0.6080 (mmt90) REVERT: P 24 ARG cc_start: 0.7831 (ttm110) cc_final: 0.7521 (ttp80) REVERT: P 193 ARG cc_start: 0.6629 (OUTLIER) cc_final: 0.6065 (mmt90) REVERT: T 229 ASP cc_start: 0.7389 (OUTLIER) cc_final: 0.6859 (m-30) REVERT: W 229 ASP cc_start: 0.7399 (OUTLIER) cc_final: 0.6882 (m-30) REVERT: X 24 ARG cc_start: 0.7827 (ttm110) cc_final: 0.7517 (ttp80) REVERT: X 193 ARG cc_start: 0.6643 (OUTLIER) cc_final: 0.6078 (mmt90) REVERT: Y 93 GLU cc_start: 0.8351 (OUTLIER) cc_final: 0.6878 (mp0) REVERT: 0 229 ASP cc_start: 0.7401 (OUTLIER) cc_final: 0.6885 (m-30) REVERT: 1 24 ARG cc_start: 0.7837 (ttm110) cc_final: 0.7524 (ttp80) REVERT: 1 193 ARG cc_start: 0.6642 (OUTLIER) cc_final: 0.6079 (mmt90) REVERT: 2 93 GLU cc_start: 0.8352 (OUTLIER) cc_final: 0.6879 (mp0) REVERT: 4 24 ARG cc_start: 0.7830 (ttm110) cc_final: 0.7518 (ttp80) REVERT: 4 193 ARG cc_start: 0.6648 (OUTLIER) cc_final: 0.6082 (mmt90) REVERT: 5 93 GLU cc_start: 0.8344 (OUTLIER) cc_final: 0.6869 (mp0) REVERT: 8 229 ASP cc_start: 0.7403 (OUTLIER) cc_final: 0.6884 (m-30) REVERT: 9 93 GLU cc_start: 0.8351 (OUTLIER) cc_final: 0.6880 (mp0) REVERT: c 229 ASP cc_start: 0.7398 (OUTLIER) cc_final: 0.6884 (m-30) REVERT: d 24 ARG cc_start: 0.7758 (ttm110) cc_final: 0.7269 (ttm110) REVERT: d 193 ARG cc_start: 0.6644 (OUTLIER) cc_final: 0.6079 (mmt90) REVERT: e 24 ARG cc_start: 0.7828 (ttm110) cc_final: 0.7516 (ttp80) REVERT: e 193 ARG cc_start: 0.6643 (OUTLIER) cc_final: 0.6079 (mmt90) REVERT: f 93 GLU cc_start: 0.8348 (OUTLIER) cc_final: 0.6876 (mp0) REVERT: i 229 ASP cc_start: 0.7389 (OUTLIER) cc_final: 0.6861 (m-30) REVERT: j 93 GLU cc_start: 0.8353 (OUTLIER) cc_final: 0.6881 (mp0) REVERT: m 229 ASP cc_start: 0.7397 (OUTLIER) cc_final: 0.6881 (m-30) REVERT: n 24 ARG cc_start: 0.7831 (ttm110) cc_final: 0.7515 (ttp80) REVERT: n 193 ARG cc_start: 0.6639 (OUTLIER) cc_final: 0.6077 (mmt90) REVERT: q 229 ASP cc_start: 0.7400 (OUTLIER) cc_final: 0.6883 (m-30) REVERT: r 24 ARG cc_start: 0.7837 (ttm110) cc_final: 0.7519 (ttp80) REVERT: u 229 ASP cc_start: 0.7401 (OUTLIER) cc_final: 0.6884 (m-30) REVERT: v 24 ARG cc_start: 0.7829 (ttm110) cc_final: 0.7518 (ttp80) REVERT: w 93 GLU cc_start: 0.8349 (OUTLIER) cc_final: 0.6874 (mp0) outliers start: 331 outliers final: 176 residues processed: 936 average time/residue: 2.1789 time to fit residues: 2768.9150 Evaluate side-chains 798 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 207 poor density : 591 time to evaluate : 11.052 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 75 LEU Chi-restraints excluded: chain A residue 260 LEU Chi-restraints excluded: chain B residue 156 LEU Chi-restraints excluded: chain B residue 159 PHE Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 229 ASP Chi-restraints excluded: chain B residue 260 LEU Chi-restraints excluded: chain C residue 98 ASN Chi-restraints excluded: chain C residue 156 LEU Chi-restraints excluded: chain C residue 159 PHE Chi-restraints excluded: chain C residue 193 ARG Chi-restraints excluded: chain C residue 260 LEU Chi-restraints excluded: chain C residue 264 LYS Chi-restraints excluded: chain D residue 93 GLU Chi-restraints excluded: chain D residue 193 ARG Chi-restraints excluded: chain E residue 56 GLU Chi-restraints excluded: chain E residue 159 PHE Chi-restraints excluded: chain F residue 56 GLU Chi-restraints excluded: chain F residue 159 PHE Chi-restraints excluded: chain G residue 75 LEU Chi-restraints excluded: chain G residue 260 LEU Chi-restraints excluded: chain H residue 156 LEU Chi-restraints excluded: chain H residue 159 PHE Chi-restraints excluded: chain H residue 210 GLU Chi-restraints excluded: chain H residue 229 ASP Chi-restraints excluded: chain H residue 260 LEU Chi-restraints excluded: chain I residue 98 ASN Chi-restraints excluded: chain I residue 156 LEU Chi-restraints excluded: chain I residue 159 PHE Chi-restraints excluded: chain I residue 193 ARG Chi-restraints excluded: chain I residue 260 LEU Chi-restraints excluded: chain I residue 264 LYS Chi-restraints excluded: chain J residue 93 GLU Chi-restraints excluded: chain J residue 193 ARG Chi-restraints excluded: chain K residue 193 ARG Chi-restraints excluded: chain L residue 56 GLU Chi-restraints excluded: chain L residue 144 THR Chi-restraints excluded: chain L residue 159 PHE Chi-restraints excluded: chain M residue 75 LEU Chi-restraints excluded: chain M residue 260 LEU Chi-restraints excluded: chain N residue 156 LEU Chi-restraints excluded: chain N residue 159 PHE Chi-restraints excluded: chain N residue 210 GLU Chi-restraints excluded: chain N residue 229 ASP Chi-restraints excluded: chain N residue 260 LEU Chi-restraints excluded: chain O residue 98 ASN Chi-restraints excluded: chain O residue 156 LEU Chi-restraints excluded: chain O residue 159 PHE Chi-restraints excluded: chain O residue 193 ARG Chi-restraints excluded: chain O residue 260 LEU Chi-restraints excluded: chain O residue 264 LYS Chi-restraints excluded: chain P residue 98 ASN Chi-restraints excluded: chain P residue 156 LEU Chi-restraints excluded: chain P residue 159 PHE Chi-restraints excluded: chain P residue 193 ARG Chi-restraints excluded: chain P residue 260 LEU Chi-restraints excluded: chain P residue 264 LYS Chi-restraints excluded: chain Q residue 193 ARG Chi-restraints excluded: chain R residue 56 GLU Chi-restraints excluded: chain R residue 144 THR Chi-restraints excluded: chain R residue 159 PHE Chi-restraints excluded: chain S residue 75 LEU Chi-restraints excluded: chain S residue 260 LEU Chi-restraints excluded: chain T residue 156 LEU Chi-restraints excluded: chain T residue 159 PHE Chi-restraints excluded: chain T residue 210 GLU Chi-restraints excluded: chain T residue 229 ASP Chi-restraints excluded: chain T residue 260 LEU Chi-restraints excluded: chain U residue 56 GLU Chi-restraints excluded: chain U residue 159 PHE Chi-restraints excluded: chain V residue 75 LEU Chi-restraints excluded: chain V residue 260 LEU Chi-restraints excluded: chain W residue 156 LEU Chi-restraints excluded: chain W residue 159 PHE Chi-restraints excluded: chain W residue 210 GLU Chi-restraints excluded: chain W residue 229 ASP Chi-restraints excluded: chain W residue 260 LEU Chi-restraints excluded: chain X residue 98 ASN Chi-restraints excluded: chain X residue 156 LEU Chi-restraints excluded: chain X residue 159 PHE Chi-restraints excluded: chain X residue 193 ARG Chi-restraints excluded: chain X residue 260 LEU Chi-restraints excluded: chain X residue 264 LYS Chi-restraints excluded: chain Y residue 93 GLU Chi-restraints excluded: chain Y residue 193 ARG Chi-restraints excluded: chain Z residue 75 LEU Chi-restraints excluded: chain Z residue 260 LEU Chi-restraints excluded: chain 0 residue 156 LEU Chi-restraints excluded: chain 0 residue 159 PHE Chi-restraints excluded: chain 0 residue 210 GLU Chi-restraints excluded: chain 0 residue 229 ASP Chi-restraints excluded: chain 0 residue 260 LEU Chi-restraints excluded: chain 1 residue 98 ASN Chi-restraints excluded: chain 1 residue 156 LEU Chi-restraints excluded: chain 1 residue 159 PHE Chi-restraints excluded: chain 1 residue 193 ARG Chi-restraints excluded: chain 1 residue 260 LEU Chi-restraints excluded: chain 1 residue 264 LYS Chi-restraints excluded: chain 2 residue 93 GLU Chi-restraints excluded: chain 2 residue 193 ARG Chi-restraints excluded: chain 3 residue 56 GLU Chi-restraints excluded: chain 3 residue 144 THR Chi-restraints excluded: chain 3 residue 159 PHE Chi-restraints excluded: chain 4 residue 98 ASN Chi-restraints excluded: chain 4 residue 156 LEU Chi-restraints excluded: chain 4 residue 159 PHE Chi-restraints excluded: chain 4 residue 193 ARG Chi-restraints excluded: chain 4 residue 260 LEU Chi-restraints excluded: chain 4 residue 264 LYS Chi-restraints excluded: chain 5 residue 93 GLU Chi-restraints excluded: chain 5 residue 193 ARG Chi-restraints excluded: chain 6 residue 56 GLU Chi-restraints excluded: chain 6 residue 159 PHE Chi-restraints excluded: chain 7 residue 75 LEU Chi-restraints excluded: chain 7 residue 260 LEU Chi-restraints excluded: chain 8 residue 156 LEU Chi-restraints excluded: chain 8 residue 159 PHE Chi-restraints excluded: chain 8 residue 210 GLU Chi-restraints excluded: chain 8 residue 229 ASP Chi-restraints excluded: chain 8 residue 260 LEU Chi-restraints excluded: chain 9 residue 93 GLU Chi-restraints excluded: chain 9 residue 193 ARG Chi-restraints excluded: chain a residue 56 GLU Chi-restraints excluded: chain a residue 144 THR Chi-restraints excluded: chain a residue 159 PHE Chi-restraints excluded: chain b residue 75 LEU Chi-restraints excluded: chain b residue 260 LEU Chi-restraints excluded: chain c residue 156 LEU Chi-restraints excluded: chain c residue 159 PHE Chi-restraints excluded: chain c residue 210 GLU Chi-restraints excluded: chain c residue 229 ASP Chi-restraints excluded: chain c residue 260 LEU Chi-restraints excluded: chain d residue 98 ASN Chi-restraints excluded: chain d residue 156 LEU Chi-restraints excluded: chain d residue 159 PHE Chi-restraints excluded: chain d residue 193 ARG Chi-restraints excluded: chain d residue 260 LEU Chi-restraints excluded: chain d residue 264 LYS Chi-restraints excluded: chain e residue 98 ASN Chi-restraints excluded: chain e residue 156 LEU Chi-restraints excluded: chain e residue 159 PHE Chi-restraints excluded: chain e residue 193 ARG Chi-restraints excluded: chain e residue 260 LEU Chi-restraints excluded: chain e residue 264 LYS Chi-restraints excluded: chain f residue 93 GLU Chi-restraints excluded: chain f residue 193 ARG Chi-restraints excluded: chain g residue 56 GLU Chi-restraints excluded: chain g residue 144 THR Chi-restraints excluded: chain g residue 159 PHE Chi-restraints excluded: chain h residue 75 LEU Chi-restraints excluded: chain h residue 260 LEU Chi-restraints excluded: chain i residue 156 LEU Chi-restraints excluded: chain i residue 159 PHE Chi-restraints excluded: chain i residue 210 GLU Chi-restraints excluded: chain i residue 229 ASP Chi-restraints excluded: chain i residue 260 LEU Chi-restraints excluded: chain j residue 93 GLU Chi-restraints excluded: chain j residue 193 ARG Chi-restraints excluded: chain k residue 56 GLU Chi-restraints excluded: chain k residue 144 THR Chi-restraints excluded: chain k residue 159 PHE Chi-restraints excluded: chain l residue 75 LEU Chi-restraints excluded: chain l residue 260 LEU Chi-restraints excluded: chain m residue 156 LEU Chi-restraints excluded: chain m residue 159 PHE Chi-restraints excluded: chain m residue 210 GLU Chi-restraints excluded: chain m residue 229 ASP Chi-restraints excluded: chain m residue 260 LEU Chi-restraints excluded: chain n residue 98 ASN Chi-restraints excluded: chain n residue 156 LEU Chi-restraints excluded: chain n residue 159 PHE Chi-restraints excluded: chain n residue 193 ARG Chi-restraints excluded: chain n residue 260 LEU Chi-restraints excluded: chain n residue 264 LYS Chi-restraints excluded: chain o residue 56 GLU Chi-restraints excluded: chain o residue 144 THR Chi-restraints excluded: chain o residue 159 PHE Chi-restraints excluded: chain p residue 75 LEU Chi-restraints excluded: chain p residue 260 LEU Chi-restraints excluded: chain q residue 156 LEU Chi-restraints excluded: chain q residue 159 PHE Chi-restraints excluded: chain q residue 210 GLU Chi-restraints excluded: chain q residue 229 ASP Chi-restraints excluded: chain q residue 260 LEU Chi-restraints excluded: chain r residue 98 ASN Chi-restraints excluded: chain r residue 156 LEU Chi-restraints excluded: chain r residue 159 PHE Chi-restraints excluded: chain r residue 260 LEU Chi-restraints excluded: chain r residue 264 LYS Chi-restraints excluded: chain s residue 193 ARG Chi-restraints excluded: chain t residue 75 LEU Chi-restraints excluded: chain t residue 260 LEU Chi-restraints excluded: chain u residue 156 LEU Chi-restraints excluded: chain u residue 159 PHE Chi-restraints excluded: chain u residue 210 GLU Chi-restraints excluded: chain u residue 229 ASP Chi-restraints excluded: chain u residue 260 LEU Chi-restraints excluded: chain v residue 98 ASN Chi-restraints excluded: chain v residue 156 LEU Chi-restraints excluded: chain v residue 159 PHE Chi-restraints excluded: chain v residue 260 LEU Chi-restraints excluded: chain v residue 264 LYS Chi-restraints excluded: chain w residue 93 GLU Chi-restraints excluded: chain w residue 193 ARG Chi-restraints excluded: chain x residue 56 GLU Chi-restraints excluded: chain x residue 144 THR Chi-restraints excluded: chain x residue 159 PHE Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 1402 optimal weight: 5.9990 chunk 1067 optimal weight: 3.9990 chunk 736 optimal weight: 1.9990 chunk 157 optimal weight: 0.8980 chunk 677 optimal weight: 0.9990 chunk 952 optimal weight: 9.9990 chunk 1424 optimal weight: 5.9990 chunk 1507 optimal weight: 4.9990 chunk 744 optimal weight: 10.0000 chunk 1349 optimal weight: 9.9990 chunk 406 optimal weight: 8.9990 overall best weight: 2.5788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8230 moved from start: 0.1591 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.024 132600 Z= 0.203 Angle : 0.602 5.329 179160 Z= 0.323 Chirality : 0.044 0.153 19800 Planarity : 0.005 0.055 22920 Dihedral : 7.002 46.000 18219 Min Nonbonded Distance : 2.341 Molprobity Statistics. All-atom Clashscore : 2.09 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.17 % Favored : 95.83 % Rotamer: Outliers : 3.75 % Allowed : 23.46 % Favored : 72.79 % 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: -0.97 (0.06), residues: 15720 helix: 1.56 (0.07), residues: 4800 sheet: 0.04 (0.10), residues: 2820 loop : -2.42 (0.06), residues: 8100 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.001 TRP C 16 HIS 0.003 0.002 HIS U 50 PHE 0.010 0.001 PHE p 36 TYR 0.007 0.001 TYR 1 47 ARG 0.004 0.000 ARG 7 208 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31440 Ramachandran restraints generated. 15720 Oldfield, 0 Emsley, 15720 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31440 Ramachandran restraints generated. 15720 Oldfield, 0 Emsley, 15720 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1101 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 526 poor density : 575 time to evaluate : 11.136 Fit side-chains REVERT: A 156 LEU cc_start: 0.8383 (OUTLIER) cc_final: 0.8170 (mp) REVERT: A 193 ARG cc_start: 0.6707 (mmt90) cc_final: 0.6467 (mmt90) REVERT: A 235 GLU cc_start: 0.8303 (OUTLIER) cc_final: 0.8031 (tt0) REVERT: B 229 ASP cc_start: 0.7353 (OUTLIER) cc_final: 0.6830 (m-30) REVERT: C 24 ARG cc_start: 0.7859 (ttm110) cc_final: 0.7555 (ttp80) REVERT: C 62 ASN cc_start: 0.7702 (OUTLIER) cc_final: 0.7451 (OUTLIER) REVERT: C 133 SER cc_start: 0.8802 (OUTLIER) cc_final: 0.8539 (p) REVERT: D 229 ASP cc_start: 0.7272 (OUTLIER) cc_final: 0.6713 (m-30) REVERT: G 156 LEU cc_start: 0.8382 (OUTLIER) cc_final: 0.8170 (mp) REVERT: G 193 ARG cc_start: 0.6708 (mmt90) cc_final: 0.6470 (mmt90) REVERT: G 235 GLU cc_start: 0.8302 (OUTLIER) cc_final: 0.8032 (tt0) REVERT: H 229 ASP cc_start: 0.7351 (OUTLIER) cc_final: 0.6829 (m-30) REVERT: I 24 ARG cc_start: 0.7850 (ttm110) cc_final: 0.7550 (ttp80) REVERT: I 62 ASN cc_start: 0.7707 (OUTLIER) cc_final: 0.7459 (OUTLIER) REVERT: I 133 SER cc_start: 0.8804 (OUTLIER) cc_final: 0.8543 (p) REVERT: J 229 ASP cc_start: 0.7271 (OUTLIER) cc_final: 0.6713 (m-30) REVERT: K 93 GLU cc_start: 0.8366 (OUTLIER) cc_final: 0.6917 (mp0) REVERT: K 229 ASP cc_start: 0.7278 (OUTLIER) cc_final: 0.6719 (m-30) REVERT: M 156 LEU cc_start: 0.8382 (OUTLIER) cc_final: 0.8167 (mp) REVERT: M 193 ARG cc_start: 0.6698 (mmt90) cc_final: 0.6467 (mmt90) REVERT: M 235 GLU cc_start: 0.8304 (OUTLIER) cc_final: 0.8029 (tt0) REVERT: N 229 ASP cc_start: 0.7364 (OUTLIER) cc_final: 0.6855 (m-30) REVERT: O 24 ARG cc_start: 0.7852 (ttm110) cc_final: 0.7553 (ttp80) REVERT: O 62 ASN cc_start: 0.7705 (OUTLIER) cc_final: 0.7453 (OUTLIER) REVERT: O 133 SER cc_start: 0.8800 (OUTLIER) cc_final: 0.8541 (p) REVERT: P 24 ARG cc_start: 0.7861 (ttm110) cc_final: 0.7560 (ttp80) REVERT: P 62 ASN cc_start: 0.7706 (OUTLIER) cc_final: 0.7458 (OUTLIER) REVERT: P 133 SER cc_start: 0.8799 (OUTLIER) cc_final: 0.8540 (p) REVERT: Q 93 GLU cc_start: 0.8350 (OUTLIER) cc_final: 0.6892 (mp0) REVERT: Q 229 ASP cc_start: 0.7280 (OUTLIER) cc_final: 0.6718 (m-30) REVERT: S 156 LEU cc_start: 0.8384 (OUTLIER) cc_final: 0.8168 (mp) REVERT: S 193 ARG cc_start: 0.6701 (mmt90) cc_final: 0.6464 (mmt90) REVERT: S 235 GLU cc_start: 0.8302 (OUTLIER) cc_final: 0.8029 (tt0) REVERT: T 229 ASP cc_start: 0.7325 (OUTLIER) cc_final: 0.6799 (m-30) REVERT: V 156 LEU cc_start: 0.8382 (OUTLIER) cc_final: 0.8169 (mp) REVERT: V 193 ARG cc_start: 0.6707 (mmt90) cc_final: 0.6477 (mmt90) REVERT: V 235 GLU cc_start: 0.8306 (OUTLIER) cc_final: 0.8031 (tt0) REVERT: W 229 ASP cc_start: 0.7363 (OUTLIER) cc_final: 0.6853 (m-30) REVERT: X 24 ARG cc_start: 0.7850 (ttm110) cc_final: 0.7547 (ttp80) REVERT: X 62 ASN cc_start: 0.7706 (OUTLIER) cc_final: 0.7452 (OUTLIER) REVERT: X 133 SER cc_start: 0.8805 (OUTLIER) cc_final: 0.8544 (p) REVERT: Y 229 ASP cc_start: 0.7273 (OUTLIER) cc_final: 0.6712 (m-30) REVERT: Z 156 LEU cc_start: 0.8382 (OUTLIER) cc_final: 0.8168 (mp) REVERT: Z 193 ARG cc_start: 0.6701 (mmt90) cc_final: 0.6463 (mmt90) REVERT: Z 235 GLU cc_start: 0.8303 (OUTLIER) cc_final: 0.8030 (tt0) REVERT: 0 229 ASP cc_start: 0.7366 (OUTLIER) cc_final: 0.6856 (m-30) REVERT: 1 24 ARG cc_start: 0.7853 (ttm110) cc_final: 0.7552 (ttp80) REVERT: 1 62 ASN cc_start: 0.7705 (OUTLIER) cc_final: 0.7454 (OUTLIER) REVERT: 1 133 SER cc_start: 0.8801 (OUTLIER) cc_final: 0.8540 (p) REVERT: 2 229 ASP cc_start: 0.7276 (OUTLIER) cc_final: 0.6716 (m-30) REVERT: 4 24 ARG cc_start: 0.7858 (ttm110) cc_final: 0.7555 (ttp80) REVERT: 4 62 ASN cc_start: 0.7707 (OUTLIER) cc_final: 0.7455 (OUTLIER) REVERT: 4 133 SER cc_start: 0.8799 (OUTLIER) cc_final: 0.8537 (p) REVERT: 5 229 ASP cc_start: 0.7273 (OUTLIER) cc_final: 0.6713 (m-30) REVERT: 7 156 LEU cc_start: 0.8381 (OUTLIER) cc_final: 0.8169 (mp) REVERT: 7 193 ARG cc_start: 0.6705 (mmt90) cc_final: 0.6475 (mmt90) REVERT: 7 235 GLU cc_start: 0.8302 (OUTLIER) cc_final: 0.8032 (tt0) REVERT: 8 229 ASP cc_start: 0.7364 (OUTLIER) cc_final: 0.6852 (m-30) REVERT: 9 229 ASP cc_start: 0.7279 (OUTLIER) cc_final: 0.6713 (m-30) REVERT: b 156 LEU cc_start: 0.8376 (OUTLIER) cc_final: 0.8160 (mp) REVERT: b 193 ARG cc_start: 0.6705 (mmt90) cc_final: 0.6469 (mmt90) REVERT: b 235 GLU cc_start: 0.8305 (OUTLIER) cc_final: 0.8029 (tt0) REVERT: c 229 ASP cc_start: 0.7365 (OUTLIER) cc_final: 0.6856 (m-30) REVERT: d 24 ARG cc_start: 0.7747 (ttm110) cc_final: 0.7281 (ttm110) REVERT: d 62 ASN cc_start: 0.7704 (OUTLIER) cc_final: 0.7453 (OUTLIER) REVERT: d 133 SER cc_start: 0.8800 (OUTLIER) cc_final: 0.8538 (p) REVERT: e 24 ARG cc_start: 0.7852 (ttm110) cc_final: 0.7549 (ttp80) REVERT: e 62 ASN cc_start: 0.7705 (OUTLIER) cc_final: 0.7453 (OUTLIER) REVERT: e 133 SER cc_start: 0.8802 (OUTLIER) cc_final: 0.8542 (p) REVERT: f 229 ASP cc_start: 0.7282 (OUTLIER) cc_final: 0.6716 (m-30) REVERT: h 156 LEU cc_start: 0.8379 (OUTLIER) cc_final: 0.8167 (mp) REVERT: h 193 ARG cc_start: 0.6711 (mmt90) cc_final: 0.6474 (mmt90) REVERT: h 235 GLU cc_start: 0.8304 (OUTLIER) cc_final: 0.8030 (tt0) REVERT: i 229 ASP cc_start: 0.7353 (OUTLIER) cc_final: 0.6832 (m-30) REVERT: j 229 ASP cc_start: 0.7272 (OUTLIER) cc_final: 0.6710 (m-30) REVERT: l 156 LEU cc_start: 0.8384 (OUTLIER) cc_final: 0.8169 (mp) REVERT: l 193 ARG cc_start: 0.6708 (mmt90) cc_final: 0.6469 (mmt90) REVERT: l 235 GLU cc_start: 0.8308 (OUTLIER) cc_final: 0.8032 (tt0) REVERT: m 229 ASP cc_start: 0.7360 (OUTLIER) cc_final: 0.6850 (m-30) REVERT: n 24 ARG cc_start: 0.7859 (ttm110) cc_final: 0.7555 (ttp80) REVERT: n 62 ASN cc_start: 0.7711 (OUTLIER) cc_final: 0.7456 (OUTLIER) REVERT: n 133 SER cc_start: 0.8806 (OUTLIER) cc_final: 0.8542 (p) REVERT: p 156 LEU cc_start: 0.8378 (OUTLIER) cc_final: 0.8167 (mp) REVERT: p 193 ARG cc_start: 0.6707 (mmt90) cc_final: 0.6480 (mmt90) REVERT: p 235 GLU cc_start: 0.8307 (OUTLIER) cc_final: 0.8031 (tt0) REVERT: q 229 ASP cc_start: 0.7364 (OUTLIER) cc_final: 0.6854 (m-30) REVERT: r 24 ARG cc_start: 0.7853 (ttm110) cc_final: 0.7549 (ttp80) REVERT: r 62 ASN cc_start: 0.7709 (OUTLIER) cc_final: 0.7458 (OUTLIER) REVERT: r 133 SER cc_start: 0.8802 (OUTLIER) cc_final: 0.8538 (p) REVERT: r 193 ARG cc_start: 0.6686 (OUTLIER) cc_final: 0.6208 (mmt90) REVERT: s 93 GLU cc_start: 0.8362 (OUTLIER) cc_final: 0.6917 (mp0) REVERT: s 229 ASP cc_start: 0.7280 (OUTLIER) cc_final: 0.6716 (m-30) REVERT: t 156 LEU cc_start: 0.8382 (OUTLIER) cc_final: 0.8169 (mp) REVERT: t 193 ARG cc_start: 0.6712 (mmt90) cc_final: 0.6471 (mmt90) REVERT: t 235 GLU cc_start: 0.8305 (OUTLIER) cc_final: 0.8030 (tt0) REVERT: u 229 ASP cc_start: 0.7363 (OUTLIER) cc_final: 0.6853 (m-30) REVERT: v 24 ARG cc_start: 0.7851 (ttm110) cc_final: 0.7550 (ttp80) REVERT: v 62 ASN cc_start: 0.7712 (OUTLIER) cc_final: 0.7455 (OUTLIER) REVERT: v 133 SER cc_start: 0.8804 (OUTLIER) cc_final: 0.8538 (p) REVERT: v 193 ARG cc_start: 0.6675 (OUTLIER) cc_final: 0.6253 (mmt90) REVERT: w 229 ASP cc_start: 0.7274 (OUTLIER) cc_final: 0.6712 (m-30) outliers start: 526 outliers final: 288 residues processed: 1045 average time/residue: 2.2756 time to fit residues: 3298.2786 Evaluate side-chains 878 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 353 poor density : 525 time to evaluate : 11.050 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 75 LEU Chi-restraints excluded: chain A residue 124 GLU Chi-restraints excluded: chain A residue 143 SER Chi-restraints excluded: chain A residue 156 LEU Chi-restraints excluded: chain A residue 159 PHE Chi-restraints excluded: chain A residue 235 GLU Chi-restraints excluded: chain A residue 254 VAL Chi-restraints excluded: chain A residue 260 LEU Chi-restraints excluded: chain B residue 156 LEU Chi-restraints excluded: chain B residue 159 PHE Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 229 ASP Chi-restraints excluded: chain B residue 254 VAL Chi-restraints excluded: chain C residue 62 ASN Chi-restraints excluded: chain C residue 98 ASN Chi-restraints excluded: chain C residue 133 SER Chi-restraints excluded: chain C residue 156 LEU Chi-restraints excluded: chain C residue 159 PHE Chi-restraints excluded: chain C residue 254 VAL Chi-restraints excluded: chain C residue 260 LEU Chi-restraints excluded: chain C residue 264 LYS Chi-restraints excluded: chain D residue 193 ARG Chi-restraints excluded: chain D residue 229 ASP Chi-restraints excluded: chain D residue 254 VAL Chi-restraints excluded: chain D residue 260 LEU Chi-restraints excluded: chain E residue 56 GLU Chi-restraints excluded: chain E residue 159 PHE Chi-restraints excluded: chain E residue 254 VAL Chi-restraints excluded: chain E residue 260 LEU Chi-restraints excluded: chain F residue 56 GLU Chi-restraints excluded: chain F residue 159 PHE Chi-restraints excluded: chain F residue 254 VAL Chi-restraints excluded: chain F residue 260 LEU Chi-restraints excluded: chain G residue 75 LEU Chi-restraints excluded: chain G residue 124 GLU Chi-restraints excluded: chain G residue 143 SER Chi-restraints excluded: chain G residue 156 LEU Chi-restraints excluded: chain G residue 159 PHE Chi-restraints excluded: chain G residue 235 GLU Chi-restraints excluded: chain G residue 254 VAL Chi-restraints excluded: chain G residue 260 LEU Chi-restraints excluded: chain H residue 156 LEU Chi-restraints excluded: chain H residue 159 PHE Chi-restraints excluded: chain H residue 210 GLU Chi-restraints excluded: chain H residue 229 ASP Chi-restraints excluded: chain H residue 254 VAL Chi-restraints excluded: chain I residue 62 ASN Chi-restraints excluded: chain I residue 98 ASN Chi-restraints excluded: chain I residue 133 SER Chi-restraints excluded: chain I residue 156 LEU Chi-restraints excluded: chain I residue 159 PHE Chi-restraints excluded: chain I residue 254 VAL Chi-restraints excluded: chain I residue 260 LEU Chi-restraints excluded: chain I residue 264 LYS Chi-restraints excluded: chain J residue 193 ARG Chi-restraints excluded: chain J residue 229 ASP Chi-restraints excluded: chain J residue 254 VAL Chi-restraints excluded: chain J residue 260 LEU Chi-restraints excluded: chain K residue 93 GLU Chi-restraints excluded: chain K residue 193 ARG Chi-restraints excluded: chain K residue 229 ASP Chi-restraints excluded: chain K residue 254 VAL Chi-restraints excluded: chain K residue 260 LEU Chi-restraints excluded: chain L residue 56 GLU Chi-restraints excluded: chain L residue 159 PHE Chi-restraints excluded: chain L residue 254 VAL Chi-restraints excluded: chain L residue 260 LEU Chi-restraints excluded: chain M residue 75 LEU Chi-restraints excluded: chain M residue 124 GLU Chi-restraints excluded: chain M residue 143 SER Chi-restraints excluded: chain M residue 156 LEU Chi-restraints excluded: chain M residue 159 PHE Chi-restraints excluded: chain M residue 235 GLU Chi-restraints excluded: chain M residue 254 VAL Chi-restraints excluded: chain M residue 260 LEU Chi-restraints excluded: chain N residue 156 LEU Chi-restraints excluded: chain N residue 159 PHE Chi-restraints excluded: chain N residue 210 GLU Chi-restraints excluded: chain N residue 229 ASP Chi-restraints excluded: chain N residue 254 VAL Chi-restraints excluded: chain O residue 62 ASN Chi-restraints excluded: chain O residue 98 ASN Chi-restraints excluded: chain O residue 133 SER Chi-restraints excluded: chain O residue 156 LEU Chi-restraints excluded: chain O residue 159 PHE Chi-restraints excluded: chain O residue 254 VAL Chi-restraints excluded: chain O residue 260 LEU Chi-restraints excluded: chain O residue 264 LYS Chi-restraints excluded: chain P residue 62 ASN Chi-restraints excluded: chain P residue 98 ASN Chi-restraints excluded: chain P residue 133 SER Chi-restraints excluded: chain P residue 156 LEU Chi-restraints excluded: chain P residue 159 PHE Chi-restraints excluded: chain P residue 254 VAL Chi-restraints excluded: chain P residue 260 LEU Chi-restraints excluded: chain P residue 264 LYS Chi-restraints excluded: chain Q residue 93 GLU Chi-restraints excluded: chain Q residue 193 ARG Chi-restraints excluded: chain Q residue 229 ASP Chi-restraints excluded: chain Q residue 254 VAL Chi-restraints excluded: chain Q residue 260 LEU Chi-restraints excluded: chain R residue 56 GLU Chi-restraints excluded: chain R residue 159 PHE Chi-restraints excluded: chain R residue 254 VAL Chi-restraints excluded: chain R residue 260 LEU Chi-restraints excluded: chain S residue 75 LEU Chi-restraints excluded: chain S residue 124 GLU Chi-restraints excluded: chain S residue 143 SER Chi-restraints excluded: chain S residue 156 LEU Chi-restraints excluded: chain S residue 159 PHE Chi-restraints excluded: chain S residue 235 GLU Chi-restraints excluded: chain S residue 254 VAL Chi-restraints excluded: chain S residue 260 LEU Chi-restraints excluded: chain T residue 156 LEU Chi-restraints excluded: chain T residue 159 PHE Chi-restraints excluded: chain T residue 210 GLU Chi-restraints excluded: chain T residue 229 ASP Chi-restraints excluded: chain T residue 254 VAL Chi-restraints excluded: chain U residue 56 GLU Chi-restraints excluded: chain U residue 159 PHE Chi-restraints excluded: chain U residue 254 VAL Chi-restraints excluded: chain U residue 260 LEU Chi-restraints excluded: chain V residue 75 LEU Chi-restraints excluded: chain V residue 124 GLU Chi-restraints excluded: chain V residue 143 SER Chi-restraints excluded: chain V residue 156 LEU Chi-restraints excluded: chain V residue 159 PHE Chi-restraints excluded: chain V residue 235 GLU Chi-restraints excluded: chain V residue 254 VAL Chi-restraints excluded: chain V residue 260 LEU Chi-restraints excluded: chain W residue 156 LEU Chi-restraints excluded: chain W residue 159 PHE Chi-restraints excluded: chain W residue 210 GLU Chi-restraints excluded: chain W residue 229 ASP Chi-restraints excluded: chain W residue 254 VAL Chi-restraints excluded: chain X residue 62 ASN Chi-restraints excluded: chain X residue 98 ASN Chi-restraints excluded: chain X residue 133 SER Chi-restraints excluded: chain X residue 156 LEU Chi-restraints excluded: chain X residue 159 PHE Chi-restraints excluded: chain X residue 254 VAL Chi-restraints excluded: chain X residue 260 LEU Chi-restraints excluded: chain X residue 264 LYS Chi-restraints excluded: chain Y residue 193 ARG Chi-restraints excluded: chain Y residue 229 ASP Chi-restraints excluded: chain Y residue 254 VAL Chi-restraints excluded: chain Y residue 260 LEU Chi-restraints excluded: chain Z residue 75 LEU Chi-restraints excluded: chain Z residue 124 GLU Chi-restraints excluded: chain Z residue 143 SER Chi-restraints excluded: chain Z residue 156 LEU Chi-restraints excluded: chain Z residue 159 PHE Chi-restraints excluded: chain Z residue 235 GLU Chi-restraints excluded: chain Z residue 254 VAL Chi-restraints excluded: chain Z residue 260 LEU Chi-restraints excluded: chain 0 residue 156 LEU Chi-restraints excluded: chain 0 residue 159 PHE Chi-restraints excluded: chain 0 residue 210 GLU Chi-restraints excluded: chain 0 residue 229 ASP Chi-restraints excluded: chain 0 residue 254 VAL Chi-restraints excluded: chain 1 residue 62 ASN Chi-restraints excluded: chain 1 residue 98 ASN Chi-restraints excluded: chain 1 residue 133 SER Chi-restraints excluded: chain 1 residue 156 LEU Chi-restraints excluded: chain 1 residue 159 PHE Chi-restraints excluded: chain 1 residue 254 VAL Chi-restraints excluded: chain 1 residue 260 LEU Chi-restraints excluded: chain 1 residue 264 LYS Chi-restraints excluded: chain 2 residue 193 ARG Chi-restraints excluded: chain 2 residue 229 ASP Chi-restraints excluded: chain 2 residue 254 VAL Chi-restraints excluded: chain 2 residue 260 LEU Chi-restraints excluded: chain 3 residue 56 GLU Chi-restraints excluded: chain 3 residue 159 PHE Chi-restraints excluded: chain 3 residue 254 VAL Chi-restraints excluded: chain 3 residue 260 LEU Chi-restraints excluded: chain 4 residue 62 ASN Chi-restraints excluded: chain 4 residue 98 ASN Chi-restraints excluded: chain 4 residue 133 SER Chi-restraints excluded: chain 4 residue 156 LEU Chi-restraints excluded: chain 4 residue 159 PHE Chi-restraints excluded: chain 4 residue 254 VAL Chi-restraints excluded: chain 4 residue 260 LEU Chi-restraints excluded: chain 4 residue 264 LYS Chi-restraints excluded: chain 5 residue 193 ARG Chi-restraints excluded: chain 5 residue 229 ASP Chi-restraints excluded: chain 5 residue 254 VAL Chi-restraints excluded: chain 5 residue 260 LEU Chi-restraints excluded: chain 6 residue 56 GLU Chi-restraints excluded: chain 6 residue 159 PHE Chi-restraints excluded: chain 6 residue 254 VAL Chi-restraints excluded: chain 6 residue 260 LEU Chi-restraints excluded: chain 7 residue 75 LEU Chi-restraints excluded: chain 7 residue 124 GLU Chi-restraints excluded: chain 7 residue 143 SER Chi-restraints excluded: chain 7 residue 156 LEU Chi-restraints excluded: chain 7 residue 159 PHE Chi-restraints excluded: chain 7 residue 235 GLU Chi-restraints excluded: chain 7 residue 254 VAL Chi-restraints excluded: chain 7 residue 260 LEU Chi-restraints excluded: chain 8 residue 156 LEU Chi-restraints excluded: chain 8 residue 159 PHE Chi-restraints excluded: chain 8 residue 210 GLU Chi-restraints excluded: chain 8 residue 229 ASP Chi-restraints excluded: chain 8 residue 254 VAL Chi-restraints excluded: chain 9 residue 193 ARG Chi-restraints excluded: chain 9 residue 229 ASP Chi-restraints excluded: chain 9 residue 254 VAL Chi-restraints excluded: chain 9 residue 260 LEU Chi-restraints excluded: chain a residue 56 GLU Chi-restraints excluded: chain a residue 159 PHE Chi-restraints excluded: chain a residue 254 VAL Chi-restraints excluded: chain a residue 260 LEU Chi-restraints excluded: chain b residue 75 LEU Chi-restraints excluded: chain b residue 124 GLU Chi-restraints excluded: chain b residue 143 SER Chi-restraints excluded: chain b residue 156 LEU Chi-restraints excluded: chain b residue 159 PHE Chi-restraints excluded: chain b residue 235 GLU Chi-restraints excluded: chain b residue 254 VAL Chi-restraints excluded: chain b residue 260 LEU Chi-restraints excluded: chain c residue 156 LEU Chi-restraints excluded: chain c residue 159 PHE Chi-restraints excluded: chain c residue 210 GLU Chi-restraints excluded: chain c residue 229 ASP Chi-restraints excluded: chain c residue 254 VAL Chi-restraints excluded: chain d residue 62 ASN Chi-restraints excluded: chain d residue 98 ASN Chi-restraints excluded: chain d residue 133 SER Chi-restraints excluded: chain d residue 156 LEU Chi-restraints excluded: chain d residue 159 PHE Chi-restraints excluded: chain d residue 254 VAL Chi-restraints excluded: chain d residue 260 LEU Chi-restraints excluded: chain d residue 264 LYS Chi-restraints excluded: chain e residue 62 ASN Chi-restraints excluded: chain e residue 98 ASN Chi-restraints excluded: chain e residue 133 SER Chi-restraints excluded: chain e residue 156 LEU Chi-restraints excluded: chain e residue 159 PHE Chi-restraints excluded: chain e residue 254 VAL Chi-restraints excluded: chain e residue 260 LEU Chi-restraints excluded: chain e residue 264 LYS Chi-restraints excluded: chain f residue 193 ARG Chi-restraints excluded: chain f residue 229 ASP Chi-restraints excluded: chain f residue 254 VAL Chi-restraints excluded: chain f residue 260 LEU Chi-restraints excluded: chain g residue 56 GLU Chi-restraints excluded: chain g residue 159 PHE Chi-restraints excluded: chain g residue 254 VAL Chi-restraints excluded: chain g residue 260 LEU Chi-restraints excluded: chain h residue 75 LEU Chi-restraints excluded: chain h residue 124 GLU Chi-restraints excluded: chain h residue 143 SER Chi-restraints excluded: chain h residue 156 LEU Chi-restraints excluded: chain h residue 159 PHE Chi-restraints excluded: chain h residue 235 GLU Chi-restraints excluded: chain h residue 254 VAL Chi-restraints excluded: chain h residue 260 LEU Chi-restraints excluded: chain i residue 156 LEU Chi-restraints excluded: chain i residue 159 PHE Chi-restraints excluded: chain i residue 210 GLU Chi-restraints excluded: chain i residue 229 ASP Chi-restraints excluded: chain i residue 254 VAL Chi-restraints excluded: chain j residue 193 ARG Chi-restraints excluded: chain j residue 229 ASP Chi-restraints excluded: chain j residue 254 VAL Chi-restraints excluded: chain j residue 260 LEU Chi-restraints excluded: chain k residue 56 GLU Chi-restraints excluded: chain k residue 159 PHE Chi-restraints excluded: chain k residue 254 VAL Chi-restraints excluded: chain k residue 260 LEU Chi-restraints excluded: chain l residue 75 LEU Chi-restraints excluded: chain l residue 124 GLU Chi-restraints excluded: chain l residue 143 SER Chi-restraints excluded: chain l residue 156 LEU Chi-restraints excluded: chain l residue 159 PHE Chi-restraints excluded: chain l residue 235 GLU Chi-restraints excluded: chain l residue 254 VAL Chi-restraints excluded: chain l residue 260 LEU Chi-restraints excluded: chain m residue 156 LEU Chi-restraints excluded: chain m residue 159 PHE Chi-restraints excluded: chain m residue 210 GLU Chi-restraints excluded: chain m residue 229 ASP Chi-restraints excluded: chain m residue 254 VAL Chi-restraints excluded: chain n residue 62 ASN Chi-restraints excluded: chain n residue 98 ASN Chi-restraints excluded: chain n residue 133 SER Chi-restraints excluded: chain n residue 156 LEU Chi-restraints excluded: chain n residue 159 PHE Chi-restraints excluded: chain n residue 254 VAL Chi-restraints excluded: chain n residue 260 LEU Chi-restraints excluded: chain n residue 264 LYS Chi-restraints excluded: chain o residue 56 GLU Chi-restraints excluded: chain o residue 159 PHE Chi-restraints excluded: chain o residue 254 VAL Chi-restraints excluded: chain o residue 260 LEU Chi-restraints excluded: chain p residue 75 LEU Chi-restraints excluded: chain p residue 124 GLU Chi-restraints excluded: chain p residue 143 SER Chi-restraints excluded: chain p residue 156 LEU Chi-restraints excluded: chain p residue 159 PHE Chi-restraints excluded: chain p residue 235 GLU Chi-restraints excluded: chain p residue 254 VAL Chi-restraints excluded: chain p residue 260 LEU Chi-restraints excluded: chain q residue 156 LEU Chi-restraints excluded: chain q residue 159 PHE Chi-restraints excluded: chain q residue 210 GLU Chi-restraints excluded: chain q residue 229 ASP Chi-restraints excluded: chain q residue 254 VAL Chi-restraints excluded: chain r residue 62 ASN Chi-restraints excluded: chain r residue 98 ASN Chi-restraints excluded: chain r residue 133 SER Chi-restraints excluded: chain r residue 156 LEU Chi-restraints excluded: chain r residue 159 PHE Chi-restraints excluded: chain r residue 193 ARG Chi-restraints excluded: chain r residue 254 VAL Chi-restraints excluded: chain r residue 260 LEU Chi-restraints excluded: chain r residue 264 LYS Chi-restraints excluded: chain s residue 93 GLU Chi-restraints excluded: chain s residue 193 ARG Chi-restraints excluded: chain s residue 229 ASP Chi-restraints excluded: chain s residue 254 VAL Chi-restraints excluded: chain s residue 260 LEU Chi-restraints excluded: chain t residue 75 LEU Chi-restraints excluded: chain t residue 124 GLU Chi-restraints excluded: chain t residue 143 SER Chi-restraints excluded: chain t residue 156 LEU Chi-restraints excluded: chain t residue 159 PHE Chi-restraints excluded: chain t residue 235 GLU Chi-restraints excluded: chain t residue 254 VAL Chi-restraints excluded: chain t residue 260 LEU Chi-restraints excluded: chain u residue 156 LEU Chi-restraints excluded: chain u residue 159 PHE Chi-restraints excluded: chain u residue 210 GLU Chi-restraints excluded: chain u residue 229 ASP Chi-restraints excluded: chain u residue 254 VAL Chi-restraints excluded: chain v residue 62 ASN Chi-restraints excluded: chain v residue 98 ASN Chi-restraints excluded: chain v residue 133 SER Chi-restraints excluded: chain v residue 156 LEU Chi-restraints excluded: chain v residue 159 PHE Chi-restraints excluded: chain v residue 193 ARG Chi-restraints excluded: chain v residue 254 VAL Chi-restraints excluded: chain v residue 260 LEU Chi-restraints excluded: chain v residue 264 LYS Chi-restraints excluded: chain w residue 193 ARG Chi-restraints excluded: chain w residue 229 ASP Chi-restraints excluded: chain w residue 254 VAL Chi-restraints excluded: chain w residue 260 LEU Chi-restraints excluded: chain x residue 56 GLU Chi-restraints excluded: chain x residue 159 PHE Chi-restraints excluded: chain x residue 254 VAL Chi-restraints excluded: chain x residue 260 LEU Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 1255 optimal weight: 5.9990 chunk 855 optimal weight: 10.0000 chunk 21 optimal weight: 9.9990 chunk 1122 optimal weight: 10.0000 chunk 622 optimal weight: 5.9990 chunk 1286 optimal weight: 20.0000 chunk 1042 optimal weight: 5.9990 chunk 1 optimal weight: 0.9980 chunk 769 optimal weight: 1.9990 chunk 1353 optimal weight: 0.8980 chunk 380 optimal weight: 10.0000 overall best weight: 3.1786 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 173 ASN H 173 ASN N 173 ASN T 173 ASN W 173 ASN 0 173 ASN 8 173 ASN c 173 ASN i 173 ASN m 173 ASN q 173 ASN u 173 ASN Total number of N/Q/H flips: 12 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8260 moved from start: 0.1566 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.024 132600 Z= 0.236 Angle : 0.646 6.075 179160 Z= 0.345 Chirality : 0.045 0.156 19800 Planarity : 0.006 0.055 22920 Dihedral : 7.056 36.831 18168 Min Nonbonded Distance : 2.333 Molprobity Statistics. All-atom Clashscore : 2.21 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.75 % Favored : 95.25 % Rotamer: Outliers : 3.28 % Allowed : 24.84 % Favored : 71.88 % 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: -0.99 (0.06), residues: 15720 helix: 1.53 (0.07), residues: 4800 sheet: -0.00 (0.10), residues: 2820 loop : -2.40 (0.06), residues: 8100 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.001 TRP n 16 HIS 0.003 0.002 HIS g 50 PHE 0.010 0.002 PHE x 36 TYR 0.007 0.001 TYR 4 47 ARG 0.003 0.000 ARG p 208 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31440 Ramachandran restraints generated. 15720 Oldfield, 0 Emsley, 15720 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31440 Ramachandran restraints generated. 15720 Oldfield, 0 Emsley, 15720 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1044 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 461 poor density : 583 time to evaluate : 11.685 Fit side-chains REVERT: A 156 LEU cc_start: 0.8424 (OUTLIER) cc_final: 0.8213 (mp) REVERT: A 193 ARG cc_start: 0.6704 (mmt90) cc_final: 0.6481 (mmt90) REVERT: A 235 GLU cc_start: 0.8342 (OUTLIER) cc_final: 0.8071 (tt0) REVERT: B 229 ASP cc_start: 0.7371 (OUTLIER) cc_final: 0.6832 (m-30) REVERT: C 24 ARG cc_start: 0.7862 (ttm110) cc_final: 0.7559 (ttp80) REVERT: C 62 ASN cc_start: 0.7751 (OUTLIER) cc_final: 0.7512 (OUTLIER) REVERT: C 133 SER cc_start: 0.8811 (OUTLIER) cc_final: 0.8545 (p) REVERT: D 124 GLU cc_start: 0.7335 (OUTLIER) cc_final: 0.7008 (tm-30) REVERT: E 179 ASN cc_start: 0.7589 (OUTLIER) cc_final: 0.7186 (t0) REVERT: G 156 LEU cc_start: 0.8424 (OUTLIER) cc_final: 0.8213 (mp) REVERT: G 193 ARG cc_start: 0.6704 (mmt90) cc_final: 0.6483 (mmt90) REVERT: G 235 GLU cc_start: 0.8341 (OUTLIER) cc_final: 0.8072 (tt0) REVERT: H 229 ASP cc_start: 0.7370 (OUTLIER) cc_final: 0.6831 (m-30) REVERT: I 24 ARG cc_start: 0.7864 (ttm110) cc_final: 0.7560 (ttp80) REVERT: I 62 ASN cc_start: 0.7757 (OUTLIER) cc_final: 0.7521 (OUTLIER) REVERT: I 133 SER cc_start: 0.8813 (OUTLIER) cc_final: 0.8551 (p) REVERT: J 124 GLU cc_start: 0.7332 (OUTLIER) cc_final: 0.6966 (tm-30) REVERT: K 93 GLU cc_start: 0.8356 (OUTLIER) cc_final: 0.6882 (mp0) REVERT: K 124 GLU cc_start: 0.7332 (OUTLIER) cc_final: 0.7009 (tm-30) REVERT: M 156 LEU cc_start: 0.8430 (OUTLIER) cc_final: 0.8220 (mp) REVERT: M 193 ARG cc_start: 0.6702 (mmt90) cc_final: 0.6481 (mmt90) REVERT: M 235 GLU cc_start: 0.8342 (OUTLIER) cc_final: 0.8069 (tt0) REVERT: N 229 ASP cc_start: 0.7362 (OUTLIER) cc_final: 0.6833 (m-30) REVERT: O 24 ARG cc_start: 0.7861 (ttm110) cc_final: 0.7562 (ttp80) REVERT: O 62 ASN cc_start: 0.7727 (OUTLIER) cc_final: 0.7480 (OUTLIER) REVERT: O 133 SER cc_start: 0.8811 (OUTLIER) cc_final: 0.8547 (p) REVERT: P 24 ARG cc_start: 0.7862 (ttm110) cc_final: 0.7561 (ttp80) REVERT: P 62 ASN cc_start: 0.7758 (OUTLIER) cc_final: 0.7520 (OUTLIER) REVERT: P 133 SER cc_start: 0.8811 (OUTLIER) cc_final: 0.8545 (p) REVERT: Q 93 GLU cc_start: 0.8353 (OUTLIER) cc_final: 0.6880 (mp0) REVERT: Q 124 GLU cc_start: 0.7336 (OUTLIER) cc_final: 0.7009 (tm-30) REVERT: S 156 LEU cc_start: 0.8430 (OUTLIER) cc_final: 0.8220 (mp) REVERT: S 193 ARG cc_start: 0.6717 (mmt90) cc_final: 0.6500 (mmt90) REVERT: S 235 GLU cc_start: 0.8342 (OUTLIER) cc_final: 0.8069 (tt0) REVERT: T 229 ASP cc_start: 0.7369 (OUTLIER) cc_final: 0.6832 (m-30) REVERT: V 156 LEU cc_start: 0.8427 (OUTLIER) cc_final: 0.8217 (mp) REVERT: V 193 ARG cc_start: 0.6705 (mmt90) cc_final: 0.6491 (mmt90) REVERT: V 235 GLU cc_start: 0.8347 (OUTLIER) cc_final: 0.8073 (tt0) REVERT: W 229 ASP cc_start: 0.7360 (OUTLIER) cc_final: 0.6831 (m-30) REVERT: X 24 ARG cc_start: 0.7860 (ttm110) cc_final: 0.7558 (ttp80) REVERT: X 62 ASN cc_start: 0.7726 (OUTLIER) cc_final: 0.7480 (OUTLIER) REVERT: X 133 SER cc_start: 0.8814 (OUTLIER) cc_final: 0.8550 (p) REVERT: Y 124 GLU cc_start: 0.7337 (OUTLIER) cc_final: 0.6973 (tm-30) REVERT: Z 156 LEU cc_start: 0.8430 (OUTLIER) cc_final: 0.8220 (mp) REVERT: Z 193 ARG cc_start: 0.6703 (mmt90) cc_final: 0.6489 (mmt90) REVERT: Z 235 GLU cc_start: 0.8343 (OUTLIER) cc_final: 0.8069 (tt0) REVERT: 0 229 ASP cc_start: 0.7364 (OUTLIER) cc_final: 0.6835 (m-30) REVERT: 1 24 ARG cc_start: 0.7860 (ttm110) cc_final: 0.7561 (ttp80) REVERT: 1 62 ASN cc_start: 0.7757 (OUTLIER) cc_final: 0.7517 (OUTLIER) REVERT: 1 133 SER cc_start: 0.8793 (OUTLIER) cc_final: 0.8527 (p) REVERT: 2 124 GLU cc_start: 0.7336 (OUTLIER) cc_final: 0.7004 (tm-30) REVERT: 3 179 ASN cc_start: 0.7593 (OUTLIER) cc_final: 0.7192 (t0) REVERT: 4 24 ARG cc_start: 0.7862 (ttm110) cc_final: 0.7557 (ttp80) REVERT: 4 62 ASN cc_start: 0.7758 (OUTLIER) cc_final: 0.7517 (OUTLIER) REVERT: 4 133 SER cc_start: 0.8810 (OUTLIER) cc_final: 0.8540 (p) REVERT: 5 124 GLU cc_start: 0.7335 (OUTLIER) cc_final: 0.7007 (tm-30) REVERT: 7 156 LEU cc_start: 0.8423 (OUTLIER) cc_final: 0.8212 (mp) REVERT: 7 193 ARG cc_start: 0.6719 (mmt90) cc_final: 0.6499 (mmt90) REVERT: 7 235 GLU cc_start: 0.8342 (OUTLIER) cc_final: 0.8071 (tt0) REVERT: 8 229 ASP cc_start: 0.7362 (OUTLIER) cc_final: 0.6831 (m-30) REVERT: 9 124 GLU cc_start: 0.7337 (OUTLIER) cc_final: 0.7005 (tm-30) REVERT: b 156 LEU cc_start: 0.8423 (OUTLIER) cc_final: 0.8213 (mp) REVERT: b 193 ARG cc_start: 0.6722 (mmt90) cc_final: 0.6502 (mmt90) REVERT: b 235 GLU cc_start: 0.8344 (OUTLIER) cc_final: 0.8071 (tt0) REVERT: c 229 ASP cc_start: 0.7360 (OUTLIER) cc_final: 0.6832 (m-30) REVERT: d 24 ARG cc_start: 0.7760 (ttm110) cc_final: 0.7293 (ttm110) REVERT: d 62 ASN cc_start: 0.7755 (OUTLIER) cc_final: 0.7515 (OUTLIER) REVERT: d 133 SER cc_start: 0.8810 (OUTLIER) cc_final: 0.8546 (p) REVERT: e 24 ARG cc_start: 0.7864 (ttm110) cc_final: 0.7561 (ttp80) REVERT: e 62 ASN cc_start: 0.7731 (OUTLIER) cc_final: 0.7483 (OUTLIER) REVERT: e 133 SER cc_start: 0.8812 (OUTLIER) cc_final: 0.8547 (p) REVERT: f 124 GLU cc_start: 0.7335 (OUTLIER) cc_final: 0.7011 (tm-30) REVERT: h 156 LEU cc_start: 0.8425 (OUTLIER) cc_final: 0.8214 (mp) REVERT: h 193 ARG cc_start: 0.6712 (mmt90) cc_final: 0.6489 (mmt90) REVERT: h 235 GLU cc_start: 0.8344 (OUTLIER) cc_final: 0.8072 (tt0) REVERT: i 229 ASP cc_start: 0.7368 (OUTLIER) cc_final: 0.6830 (m-30) REVERT: j 124 GLU cc_start: 0.7337 (OUTLIER) cc_final: 0.7013 (tm-30) REVERT: l 156 LEU cc_start: 0.8432 (OUTLIER) cc_final: 0.8222 (mp) REVERT: l 193 ARG cc_start: 0.6705 (mmt90) cc_final: 0.6486 (mmt90) REVERT: l 235 GLU cc_start: 0.8347 (OUTLIER) cc_final: 0.8073 (tt0) REVERT: m 229 ASP cc_start: 0.7357 (OUTLIER) cc_final: 0.6827 (m-30) REVERT: n 24 ARG cc_start: 0.7861 (ttm110) cc_final: 0.7559 (ttp80) REVERT: n 62 ASN cc_start: 0.7732 (OUTLIER) cc_final: 0.7482 (OUTLIER) REVERT: n 133 SER cc_start: 0.8815 (OUTLIER) cc_final: 0.8547 (p) REVERT: p 156 LEU cc_start: 0.8424 (OUTLIER) cc_final: 0.8213 (mp) REVERT: p 193 ARG cc_start: 0.6725 (mmt90) cc_final: 0.6508 (mmt90) REVERT: p 235 GLU cc_start: 0.8346 (OUTLIER) cc_final: 0.8072 (tt0) REVERT: q 229 ASP cc_start: 0.7364 (OUTLIER) cc_final: 0.6833 (m-30) REVERT: r 24 ARG cc_start: 0.7865 (ttm110) cc_final: 0.7560 (ttp80) REVERT: r 62 ASN cc_start: 0.7761 (OUTLIER) cc_final: 0.7520 (OUTLIER) REVERT: r 133 SER cc_start: 0.8811 (OUTLIER) cc_final: 0.8540 (p) REVERT: r 193 ARG cc_start: 0.6713 (OUTLIER) cc_final: 0.6142 (mmt90) REVERT: s 93 GLU cc_start: 0.8353 (OUTLIER) cc_final: 0.6886 (mp0) REVERT: s 124 GLU cc_start: 0.7334 (OUTLIER) cc_final: 0.7008 (tm-30) REVERT: t 156 LEU cc_start: 0.8428 (OUTLIER) cc_final: 0.8217 (mp) REVERT: t 193 ARG cc_start: 0.6722 (mmt90) cc_final: 0.6507 (mmt90) REVERT: t 235 GLU cc_start: 0.8345 (OUTLIER) cc_final: 0.8072 (tt0) REVERT: u 229 ASP cc_start: 0.7361 (OUTLIER) cc_final: 0.6830 (m-30) REVERT: v 24 ARG cc_start: 0.7861 (ttm110) cc_final: 0.7559 (ttp80) REVERT: v 62 ASN cc_start: 0.7731 (OUTLIER) cc_final: 0.7482 (OUTLIER) REVERT: v 133 SER cc_start: 0.8816 (OUTLIER) cc_final: 0.8544 (p) REVERT: v 193 ARG cc_start: 0.6707 (OUTLIER) cc_final: 0.6212 (mmt90) REVERT: w 124 GLU cc_start: 0.7333 (OUTLIER) cc_final: 0.6972 (tm-30) outliers start: 461 outliers final: 289 residues processed: 988 average time/residue: 2.1987 time to fit residues: 2937.2532 Evaluate side-chains 908 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 356 poor density : 552 time to evaluate : 11.136 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 75 LEU Chi-restraints excluded: chain A residue 143 SER Chi-restraints excluded: chain A residue 156 LEU Chi-restraints excluded: chain A residue 178 ILE Chi-restraints excluded: chain A residue 235 GLU Chi-restraints excluded: chain A residue 254 VAL Chi-restraints excluded: chain A residue 260 LEU Chi-restraints excluded: chain B residue 156 LEU Chi-restraints excluded: chain B residue 159 PHE Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 229 ASP Chi-restraints excluded: chain B residue 254 VAL Chi-restraints excluded: chain B residue 260 LEU Chi-restraints excluded: chain C residue 62 ASN Chi-restraints excluded: chain C residue 133 SER Chi-restraints excluded: chain C residue 156 LEU Chi-restraints excluded: chain C residue 159 PHE Chi-restraints excluded: chain C residue 254 VAL Chi-restraints excluded: chain C residue 260 LEU Chi-restraints excluded: chain C residue 264 LYS Chi-restraints excluded: chain D residue 124 GLU Chi-restraints excluded: chain D residue 193 ARG Chi-restraints excluded: chain D residue 229 ASP Chi-restraints excluded: chain D residue 254 VAL Chi-restraints excluded: chain D residue 260 LEU Chi-restraints excluded: chain E residue 56 GLU Chi-restraints excluded: chain E residue 159 PHE Chi-restraints excluded: chain E residue 178 ILE Chi-restraints excluded: chain E residue 179 ASN Chi-restraints excluded: chain E residue 254 VAL Chi-restraints excluded: chain F residue 56 GLU Chi-restraints excluded: chain F residue 159 PHE Chi-restraints excluded: chain F residue 178 ILE Chi-restraints excluded: chain F residue 254 VAL Chi-restraints excluded: chain G residue 75 LEU Chi-restraints excluded: chain G residue 143 SER Chi-restraints excluded: chain G residue 156 LEU Chi-restraints excluded: chain G residue 178 ILE Chi-restraints excluded: chain G residue 235 GLU Chi-restraints excluded: chain G residue 254 VAL Chi-restraints excluded: chain G residue 260 LEU Chi-restraints excluded: chain H residue 156 LEU Chi-restraints excluded: chain H residue 159 PHE Chi-restraints excluded: chain H residue 210 GLU Chi-restraints excluded: chain H residue 229 ASP Chi-restraints excluded: chain H residue 254 VAL Chi-restraints excluded: chain H residue 260 LEU Chi-restraints excluded: chain I residue 62 ASN Chi-restraints excluded: chain I residue 133 SER Chi-restraints excluded: chain I residue 156 LEU Chi-restraints excluded: chain I residue 159 PHE Chi-restraints excluded: chain I residue 254 VAL Chi-restraints excluded: chain I residue 260 LEU Chi-restraints excluded: chain I residue 264 LYS Chi-restraints excluded: chain J residue 124 GLU Chi-restraints excluded: chain J residue 193 ARG Chi-restraints excluded: chain J residue 229 ASP Chi-restraints excluded: chain J residue 254 VAL Chi-restraints excluded: chain J residue 260 LEU Chi-restraints excluded: chain K residue 93 GLU Chi-restraints excluded: chain K residue 124 GLU Chi-restraints excluded: chain K residue 193 ARG Chi-restraints excluded: chain K residue 229 ASP Chi-restraints excluded: chain K residue 254 VAL Chi-restraints excluded: chain K residue 260 LEU Chi-restraints excluded: chain L residue 56 GLU Chi-restraints excluded: chain L residue 159 PHE Chi-restraints excluded: chain L residue 178 ILE Chi-restraints excluded: chain L residue 254 VAL Chi-restraints excluded: chain M residue 75 LEU Chi-restraints excluded: chain M residue 143 SER Chi-restraints excluded: chain M residue 156 LEU Chi-restraints excluded: chain M residue 178 ILE Chi-restraints excluded: chain M residue 235 GLU Chi-restraints excluded: chain M residue 254 VAL Chi-restraints excluded: chain M residue 260 LEU Chi-restraints excluded: chain N residue 156 LEU Chi-restraints excluded: chain N residue 159 PHE Chi-restraints excluded: chain N residue 210 GLU Chi-restraints excluded: chain N residue 229 ASP Chi-restraints excluded: chain N residue 254 VAL Chi-restraints excluded: chain N residue 260 LEU Chi-restraints excluded: chain O residue 62 ASN Chi-restraints excluded: chain O residue 133 SER Chi-restraints excluded: chain O residue 156 LEU Chi-restraints excluded: chain O residue 159 PHE Chi-restraints excluded: chain O residue 254 VAL Chi-restraints excluded: chain O residue 260 LEU Chi-restraints excluded: chain O residue 264 LYS Chi-restraints excluded: chain P residue 62 ASN Chi-restraints excluded: chain P residue 133 SER Chi-restraints excluded: chain P residue 156 LEU Chi-restraints excluded: chain P residue 159 PHE Chi-restraints excluded: chain P residue 254 VAL Chi-restraints excluded: chain P residue 260 LEU Chi-restraints excluded: chain P residue 264 LYS Chi-restraints excluded: chain Q residue 93 GLU Chi-restraints excluded: chain Q residue 124 GLU Chi-restraints excluded: chain Q residue 193 ARG Chi-restraints excluded: chain Q residue 229 ASP Chi-restraints excluded: chain Q residue 254 VAL Chi-restraints excluded: chain Q residue 260 LEU Chi-restraints excluded: chain R residue 56 GLU Chi-restraints excluded: chain R residue 159 PHE Chi-restraints excluded: chain R residue 178 ILE Chi-restraints excluded: chain R residue 254 VAL Chi-restraints excluded: chain S residue 75 LEU Chi-restraints excluded: chain S residue 143 SER Chi-restraints excluded: chain S residue 156 LEU Chi-restraints excluded: chain S residue 178 ILE Chi-restraints excluded: chain S residue 235 GLU Chi-restraints excluded: chain S residue 254 VAL Chi-restraints excluded: chain S residue 260 LEU Chi-restraints excluded: chain T residue 156 LEU Chi-restraints excluded: chain T residue 159 PHE Chi-restraints excluded: chain T residue 210 GLU Chi-restraints excluded: chain T residue 229 ASP Chi-restraints excluded: chain T residue 254 VAL Chi-restraints excluded: chain T residue 260 LEU Chi-restraints excluded: chain U residue 56 GLU Chi-restraints excluded: chain U residue 159 PHE Chi-restraints excluded: chain U residue 178 ILE Chi-restraints excluded: chain U residue 254 VAL Chi-restraints excluded: chain V residue 75 LEU Chi-restraints excluded: chain V residue 143 SER Chi-restraints excluded: chain V residue 156 LEU Chi-restraints excluded: chain V residue 178 ILE Chi-restraints excluded: chain V residue 235 GLU Chi-restraints excluded: chain V residue 254 VAL Chi-restraints excluded: chain V residue 260 LEU Chi-restraints excluded: chain W residue 156 LEU Chi-restraints excluded: chain W residue 159 PHE Chi-restraints excluded: chain W residue 210 GLU Chi-restraints excluded: chain W residue 229 ASP Chi-restraints excluded: chain W residue 254 VAL Chi-restraints excluded: chain W residue 260 LEU Chi-restraints excluded: chain X residue 62 ASN Chi-restraints excluded: chain X residue 133 SER Chi-restraints excluded: chain X residue 156 LEU Chi-restraints excluded: chain X residue 159 PHE Chi-restraints excluded: chain X residue 254 VAL Chi-restraints excluded: chain X residue 260 LEU Chi-restraints excluded: chain X residue 264 LYS Chi-restraints excluded: chain Y residue 124 GLU Chi-restraints excluded: chain Y residue 193 ARG Chi-restraints excluded: chain Y residue 229 ASP Chi-restraints excluded: chain Y residue 254 VAL Chi-restraints excluded: chain Y residue 260 LEU Chi-restraints excluded: chain Z residue 75 LEU Chi-restraints excluded: chain Z residue 143 SER Chi-restraints excluded: chain Z residue 156 LEU Chi-restraints excluded: chain Z residue 178 ILE Chi-restraints excluded: chain Z residue 235 GLU Chi-restraints excluded: chain Z residue 254 VAL Chi-restraints excluded: chain Z residue 260 LEU Chi-restraints excluded: chain 0 residue 156 LEU Chi-restraints excluded: chain 0 residue 159 PHE Chi-restraints excluded: chain 0 residue 210 GLU Chi-restraints excluded: chain 0 residue 229 ASP Chi-restraints excluded: chain 0 residue 254 VAL Chi-restraints excluded: chain 0 residue 260 LEU Chi-restraints excluded: chain 1 residue 62 ASN Chi-restraints excluded: chain 1 residue 133 SER Chi-restraints excluded: chain 1 residue 156 LEU Chi-restraints excluded: chain 1 residue 159 PHE Chi-restraints excluded: chain 1 residue 254 VAL Chi-restraints excluded: chain 1 residue 260 LEU Chi-restraints excluded: chain 1 residue 264 LYS Chi-restraints excluded: chain 2 residue 124 GLU Chi-restraints excluded: chain 2 residue 193 ARG Chi-restraints excluded: chain 2 residue 229 ASP Chi-restraints excluded: chain 2 residue 254 VAL Chi-restraints excluded: chain 2 residue 260 LEU Chi-restraints excluded: chain 3 residue 56 GLU Chi-restraints excluded: chain 3 residue 159 PHE Chi-restraints excluded: chain 3 residue 178 ILE Chi-restraints excluded: chain 3 residue 179 ASN Chi-restraints excluded: chain 3 residue 254 VAL Chi-restraints excluded: chain 4 residue 62 ASN Chi-restraints excluded: chain 4 residue 133 SER Chi-restraints excluded: chain 4 residue 156 LEU Chi-restraints excluded: chain 4 residue 159 PHE Chi-restraints excluded: chain 4 residue 254 VAL Chi-restraints excluded: chain 4 residue 260 LEU Chi-restraints excluded: chain 4 residue 264 LYS Chi-restraints excluded: chain 5 residue 124 GLU Chi-restraints excluded: chain 5 residue 193 ARG Chi-restraints excluded: chain 5 residue 229 ASP Chi-restraints excluded: chain 5 residue 254 VAL Chi-restraints excluded: chain 5 residue 260 LEU Chi-restraints excluded: chain 6 residue 56 GLU Chi-restraints excluded: chain 6 residue 159 PHE Chi-restraints excluded: chain 6 residue 178 ILE Chi-restraints excluded: chain 6 residue 254 VAL Chi-restraints excluded: chain 7 residue 75 LEU Chi-restraints excluded: chain 7 residue 143 SER Chi-restraints excluded: chain 7 residue 156 LEU Chi-restraints excluded: chain 7 residue 178 ILE Chi-restraints excluded: chain 7 residue 235 GLU Chi-restraints excluded: chain 7 residue 254 VAL Chi-restraints excluded: chain 7 residue 260 LEU Chi-restraints excluded: chain 8 residue 156 LEU Chi-restraints excluded: chain 8 residue 159 PHE Chi-restraints excluded: chain 8 residue 210 GLU Chi-restraints excluded: chain 8 residue 229 ASP Chi-restraints excluded: chain 8 residue 254 VAL Chi-restraints excluded: chain 8 residue 260 LEU Chi-restraints excluded: chain 9 residue 124 GLU Chi-restraints excluded: chain 9 residue 193 ARG Chi-restraints excluded: chain 9 residue 229 ASP Chi-restraints excluded: chain 9 residue 254 VAL Chi-restraints excluded: chain 9 residue 260 LEU Chi-restraints excluded: chain a residue 56 GLU Chi-restraints excluded: chain a residue 159 PHE Chi-restraints excluded: chain a residue 178 ILE Chi-restraints excluded: chain a residue 254 VAL Chi-restraints excluded: chain b residue 75 LEU Chi-restraints excluded: chain b residue 143 SER Chi-restraints excluded: chain b residue 156 LEU Chi-restraints excluded: chain b residue 178 ILE Chi-restraints excluded: chain b residue 235 GLU Chi-restraints excluded: chain b residue 254 VAL Chi-restraints excluded: chain b residue 260 LEU Chi-restraints excluded: chain c residue 156 LEU Chi-restraints excluded: chain c residue 159 PHE Chi-restraints excluded: chain c residue 210 GLU Chi-restraints excluded: chain c residue 229 ASP Chi-restraints excluded: chain c residue 254 VAL Chi-restraints excluded: chain c residue 260 LEU Chi-restraints excluded: chain d residue 62 ASN Chi-restraints excluded: chain d residue 133 SER Chi-restraints excluded: chain d residue 156 LEU Chi-restraints excluded: chain d residue 159 PHE Chi-restraints excluded: chain d residue 254 VAL Chi-restraints excluded: chain d residue 260 LEU Chi-restraints excluded: chain d residue 264 LYS Chi-restraints excluded: chain e residue 62 ASN Chi-restraints excluded: chain e residue 133 SER Chi-restraints excluded: chain e residue 156 LEU Chi-restraints excluded: chain e residue 159 PHE Chi-restraints excluded: chain e residue 254 VAL Chi-restraints excluded: chain e residue 260 LEU Chi-restraints excluded: chain e residue 264 LYS Chi-restraints excluded: chain f residue 124 GLU Chi-restraints excluded: chain f residue 193 ARG Chi-restraints excluded: chain f residue 229 ASP Chi-restraints excluded: chain f residue 254 VAL Chi-restraints excluded: chain f residue 260 LEU Chi-restraints excluded: chain g residue 56 GLU Chi-restraints excluded: chain g residue 159 PHE Chi-restraints excluded: chain g residue 178 ILE Chi-restraints excluded: chain g residue 254 VAL Chi-restraints excluded: chain h residue 75 LEU Chi-restraints excluded: chain h residue 143 SER Chi-restraints excluded: chain h residue 156 LEU Chi-restraints excluded: chain h residue 178 ILE Chi-restraints excluded: chain h residue 235 GLU Chi-restraints excluded: chain h residue 254 VAL Chi-restraints excluded: chain h residue 260 LEU Chi-restraints excluded: chain i residue 156 LEU Chi-restraints excluded: chain i residue 159 PHE Chi-restraints excluded: chain i residue 210 GLU Chi-restraints excluded: chain i residue 229 ASP Chi-restraints excluded: chain i residue 254 VAL Chi-restraints excluded: chain i residue 260 LEU Chi-restraints excluded: chain j residue 124 GLU Chi-restraints excluded: chain j residue 193 ARG Chi-restraints excluded: chain j residue 229 ASP Chi-restraints excluded: chain j residue 254 VAL Chi-restraints excluded: chain j residue 260 LEU Chi-restraints excluded: chain k residue 56 GLU Chi-restraints excluded: chain k residue 159 PHE Chi-restraints excluded: chain k residue 178 ILE Chi-restraints excluded: chain k residue 254 VAL Chi-restraints excluded: chain l residue 75 LEU Chi-restraints excluded: chain l residue 143 SER Chi-restraints excluded: chain l residue 156 LEU Chi-restraints excluded: chain l residue 178 ILE Chi-restraints excluded: chain l residue 235 GLU Chi-restraints excluded: chain l residue 254 VAL Chi-restraints excluded: chain l residue 260 LEU Chi-restraints excluded: chain m residue 156 LEU Chi-restraints excluded: chain m residue 159 PHE Chi-restraints excluded: chain m residue 210 GLU Chi-restraints excluded: chain m residue 229 ASP Chi-restraints excluded: chain m residue 254 VAL Chi-restraints excluded: chain m residue 260 LEU Chi-restraints excluded: chain n residue 62 ASN Chi-restraints excluded: chain n residue 133 SER Chi-restraints excluded: chain n residue 156 LEU Chi-restraints excluded: chain n residue 159 PHE Chi-restraints excluded: chain n residue 254 VAL Chi-restraints excluded: chain n residue 260 LEU Chi-restraints excluded: chain n residue 264 LYS Chi-restraints excluded: chain o residue 56 GLU Chi-restraints excluded: chain o residue 159 PHE Chi-restraints excluded: chain o residue 178 ILE Chi-restraints excluded: chain o residue 254 VAL Chi-restraints excluded: chain p residue 75 LEU Chi-restraints excluded: chain p residue 143 SER Chi-restraints excluded: chain p residue 156 LEU Chi-restraints excluded: chain p residue 178 ILE Chi-restraints excluded: chain p residue 235 GLU Chi-restraints excluded: chain p residue 254 VAL Chi-restraints excluded: chain p residue 260 LEU Chi-restraints excluded: chain q residue 156 LEU Chi-restraints excluded: chain q residue 159 PHE Chi-restraints excluded: chain q residue 210 GLU Chi-restraints excluded: chain q residue 229 ASP Chi-restraints excluded: chain q residue 254 VAL Chi-restraints excluded: chain q residue 260 LEU Chi-restraints excluded: chain r residue 62 ASN Chi-restraints excluded: chain r residue 133 SER Chi-restraints excluded: chain r residue 156 LEU Chi-restraints excluded: chain r residue 159 PHE Chi-restraints excluded: chain r residue 193 ARG Chi-restraints excluded: chain r residue 254 VAL Chi-restraints excluded: chain r residue 260 LEU Chi-restraints excluded: chain r residue 264 LYS Chi-restraints excluded: chain s residue 93 GLU Chi-restraints excluded: chain s residue 124 GLU Chi-restraints excluded: chain s residue 159 PHE Chi-restraints excluded: chain s residue 193 ARG Chi-restraints excluded: chain s residue 229 ASP Chi-restraints excluded: chain s residue 254 VAL Chi-restraints excluded: chain s residue 260 LEU Chi-restraints excluded: chain t residue 75 LEU Chi-restraints excluded: chain t residue 143 SER Chi-restraints excluded: chain t residue 156 LEU Chi-restraints excluded: chain t residue 178 ILE Chi-restraints excluded: chain t residue 235 GLU Chi-restraints excluded: chain t residue 254 VAL Chi-restraints excluded: chain t residue 260 LEU Chi-restraints excluded: chain u residue 156 LEU Chi-restraints excluded: chain u residue 159 PHE Chi-restraints excluded: chain u residue 210 GLU Chi-restraints excluded: chain u residue 229 ASP Chi-restraints excluded: chain u residue 254 VAL Chi-restraints excluded: chain u residue 260 LEU Chi-restraints excluded: chain v residue 62 ASN Chi-restraints excluded: chain v residue 133 SER Chi-restraints excluded: chain v residue 156 LEU Chi-restraints excluded: chain v residue 159 PHE Chi-restraints excluded: chain v residue 193 ARG Chi-restraints excluded: chain v residue 254 VAL Chi-restraints excluded: chain v residue 260 LEU Chi-restraints excluded: chain v residue 264 LYS Chi-restraints excluded: chain w residue 124 GLU Chi-restraints excluded: chain w residue 193 ARG Chi-restraints excluded: chain w residue 229 ASP Chi-restraints excluded: chain w residue 254 VAL Chi-restraints excluded: chain w residue 260 LEU Chi-restraints excluded: chain x residue 56 GLU Chi-restraints excluded: chain x residue 159 PHE Chi-restraints excluded: chain x residue 178 ILE Chi-restraints excluded: chain x residue 254 VAL Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 507 optimal weight: 9.9990 chunk 1357 optimal weight: 10.0000 chunk 298 optimal weight: 10.0000 chunk 885 optimal weight: 0.7980 chunk 372 optimal weight: 0.9990 chunk 1509 optimal weight: 1.9990 chunk 1252 optimal weight: 9.9990 chunk 698 optimal weight: 9.9990 chunk 125 optimal weight: 3.9990 chunk 499 optimal weight: 1.9990 chunk 792 optimal weight: 9.9990 overall best weight: 1.9588 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8196 moved from start: 0.1809 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.022 132600 Z= 0.171 Angle : 0.550 4.702 179160 Z= 0.297 Chirality : 0.043 0.147 19800 Planarity : 0.005 0.053 22920 Dihedral : 6.617 34.871 18168 Min Nonbonded Distance : 2.347 Molprobity Statistics. All-atom Clashscore : 2.34 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.97 % Favored : 96.03 % Rotamer: Outliers : 3.27 % Allowed : 25.09 % Favored : 71.64 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.77 (0.06), residues: 15720 helix: 1.81 (0.07), residues: 4800 sheet: -0.09 (0.09), residues: 3000 loop : -2.29 (0.06), residues: 7920 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.001 TRP I 16 HIS 0.003 0.001 HIS E 50 PHE 0.010 0.001 PHE O 36 TYR 0.006 0.001 TYR u 47 ARG 0.002 0.000 ARG l 208 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31440 Ramachandran restraints generated. 15720 Oldfield, 0 Emsley, 15720 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31440 Ramachandran restraints generated. 15720 Oldfield, 0 Emsley, 15720 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 995 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 459 poor density : 536 time to evaluate : 11.322 Fit side-chains REVERT: A 156 LEU cc_start: 0.8349 (OUTLIER) cc_final: 0.8137 (mp) REVERT: A 235 GLU cc_start: 0.8299 (OUTLIER) cc_final: 0.8029 (tt0) REVERT: C 24 ARG cc_start: 0.7824 (ttm110) cc_final: 0.7532 (ttp80) REVERT: C 62 ASN cc_start: 0.7728 (OUTLIER) cc_final: 0.7494 (OUTLIER) REVERT: C 133 SER cc_start: 0.8809 (OUTLIER) cc_final: 0.8576 (p) REVERT: D 229 ASP cc_start: 0.7254 (OUTLIER) cc_final: 0.6721 (m-30) REVERT: E 179 ASN cc_start: 0.7506 (OUTLIER) cc_final: 0.7092 (t0) REVERT: F 179 ASN cc_start: 0.7505 (OUTLIER) cc_final: 0.7094 (t0) REVERT: G 156 LEU cc_start: 0.8349 (OUTLIER) cc_final: 0.8138 (mp) REVERT: G 193 ARG cc_start: 0.6717 (mmt90) cc_final: 0.6505 (mmt90) REVERT: G 235 GLU cc_start: 0.8297 (OUTLIER) cc_final: 0.8029 (tt0) REVERT: I 24 ARG cc_start: 0.7825 (ttm110) cc_final: 0.7535 (ttp80) REVERT: I 62 ASN cc_start: 0.7735 (OUTLIER) cc_final: 0.7505 (OUTLIER) REVERT: I 133 SER cc_start: 0.8816 (OUTLIER) cc_final: 0.8581 (p) REVERT: J 229 ASP cc_start: 0.7254 (OUTLIER) cc_final: 0.6722 (m-30) REVERT: K 93 GLU cc_start: 0.8322 (OUTLIER) cc_final: 0.6820 (mp0) REVERT: K 229 ASP cc_start: 0.7257 (OUTLIER) cc_final: 0.6725 (m-30) REVERT: L 179 ASN cc_start: 0.7508 (OUTLIER) cc_final: 0.7091 (t0) REVERT: M 156 LEU cc_start: 0.8350 (OUTLIER) cc_final: 0.8138 (mp) REVERT: N 229 ASP cc_start: 0.7354 (OUTLIER) cc_final: 0.6862 (m-30) REVERT: O 24 ARG cc_start: 0.7826 (ttm110) cc_final: 0.7538 (ttp80) REVERT: O 62 ASN cc_start: 0.7732 (OUTLIER) cc_final: 0.7499 (OUTLIER) REVERT: O 133 SER cc_start: 0.8810 (OUTLIER) cc_final: 0.8580 (p) REVERT: P 24 ARG cc_start: 0.7827 (ttm110) cc_final: 0.7537 (ttp80) REVERT: P 62 ASN cc_start: 0.7735 (OUTLIER) cc_final: 0.7503 (OUTLIER) REVERT: P 133 SER cc_start: 0.8809 (OUTLIER) cc_final: 0.8577 (p) REVERT: Q 93 GLU cc_start: 0.8318 (OUTLIER) cc_final: 0.6816 (mp0) REVERT: Q 229 ASP cc_start: 0.7257 (OUTLIER) cc_final: 0.6725 (m-30) REVERT: R 179 ASN cc_start: 0.7510 (OUTLIER) cc_final: 0.7097 (t0) REVERT: S 156 LEU cc_start: 0.8351 (OUTLIER) cc_final: 0.8140 (mp) REVERT: U 179 ASN cc_start: 0.7512 (OUTLIER) cc_final: 0.7099 (t0) REVERT: V 156 LEU cc_start: 0.8348 (OUTLIER) cc_final: 0.8137 (mp) REVERT: V 193 ARG cc_start: 0.6720 (mmt90) cc_final: 0.6516 (mmt90) REVERT: V 235 GLU cc_start: 0.8300 (OUTLIER) cc_final: 0.8029 (tt0) REVERT: W 192 LYS cc_start: 0.7378 (OUTLIER) cc_final: 0.6792 (mmpt) REVERT: W 229 ASP cc_start: 0.7350 (OUTLIER) cc_final: 0.6858 (m-30) REVERT: X 24 ARG cc_start: 0.7824 (ttm110) cc_final: 0.7531 (ttp80) REVERT: X 62 ASN cc_start: 0.7733 (OUTLIER) cc_final: 0.7495 (OUTLIER) REVERT: X 133 SER cc_start: 0.8813 (OUTLIER) cc_final: 0.8584 (p) REVERT: Y 229 ASP cc_start: 0.7260 (OUTLIER) cc_final: 0.6728 (m-30) REVERT: Z 156 LEU cc_start: 0.8350 (OUTLIER) cc_final: 0.8138 (mp) REVERT: 0 192 LYS cc_start: 0.7387 (OUTLIER) cc_final: 0.6799 (mmpt) REVERT: 0 229 ASP cc_start: 0.7353 (OUTLIER) cc_final: 0.6864 (m-30) REVERT: 1 24 ARG cc_start: 0.7824 (ttm110) cc_final: 0.7536 (ttp80) REVERT: 1 62 ASN cc_start: 0.7735 (OUTLIER) cc_final: 0.7501 (OUTLIER) REVERT: 1 133 SER cc_start: 0.8814 (OUTLIER) cc_final: 0.8577 (p) REVERT: 2 229 ASP cc_start: 0.7256 (OUTLIER) cc_final: 0.6723 (m-30) REVERT: 3 179 ASN cc_start: 0.7510 (OUTLIER) cc_final: 0.7095 (t0) REVERT: 4 24 ARG cc_start: 0.7823 (ttm110) cc_final: 0.7531 (ttp80) REVERT: 4 62 ASN cc_start: 0.7736 (OUTLIER) cc_final: 0.7501 (OUTLIER) REVERT: 4 133 SER cc_start: 0.8810 (OUTLIER) cc_final: 0.8580 (p) REVERT: 5 229 ASP cc_start: 0.7257 (OUTLIER) cc_final: 0.6725 (m-30) REVERT: 6 179 ASN cc_start: 0.7506 (OUTLIER) cc_final: 0.7093 (t0) REVERT: 7 156 LEU cc_start: 0.8348 (OUTLIER) cc_final: 0.8136 (mp) REVERT: 7 235 GLU cc_start: 0.8297 (OUTLIER) cc_final: 0.8029 (tt0) REVERT: 8 229 ASP cc_start: 0.7352 (OUTLIER) cc_final: 0.6860 (m-30) REVERT: 9 124 GLU cc_start: 0.7251 (OUTLIER) cc_final: 0.6929 (tm-30) REVERT: 9 229 ASP cc_start: 0.7266 (OUTLIER) cc_final: 0.6729 (m-30) REVERT: a 179 ASN cc_start: 0.7511 (OUTLIER) cc_final: 0.7099 (t0) REVERT: b 156 LEU cc_start: 0.8343 (OUTLIER) cc_final: 0.8133 (mp) REVERT: b 235 GLU cc_start: 0.8300 (OUTLIER) cc_final: 0.8027 (tt0) REVERT: c 192 LYS cc_start: 0.7411 (OUTLIER) cc_final: 0.6828 (mmpt) REVERT: c 229 ASP cc_start: 0.7351 (OUTLIER) cc_final: 0.6860 (m-30) REVERT: d 24 ARG cc_start: 0.7723 (ttm110) cc_final: 0.7240 (ttm110) REVERT: d 62 ASN cc_start: 0.7731 (OUTLIER) cc_final: 0.7499 (OUTLIER) REVERT: d 133 SER cc_start: 0.8809 (OUTLIER) cc_final: 0.8580 (p) REVERT: e 24 ARG cc_start: 0.7825 (ttm110) cc_final: 0.7534 (ttp80) REVERT: e 62 ASN cc_start: 0.7723 (OUTLIER) cc_final: 0.7484 (OUTLIER) REVERT: e 133 SER cc_start: 0.8810 (OUTLIER) cc_final: 0.8579 (p) REVERT: f 229 ASP cc_start: 0.7265 (OUTLIER) cc_final: 0.6728 (m-30) REVERT: g 179 ASN cc_start: 0.7511 (OUTLIER) cc_final: 0.7098 (t0) REVERT: h 156 LEU cc_start: 0.8347 (OUTLIER) cc_final: 0.8136 (mp) REVERT: j 229 ASP cc_start: 0.7260 (OUTLIER) cc_final: 0.6729 (m-30) REVERT: k 179 ASN cc_start: 0.7508 (OUTLIER) cc_final: 0.7093 (t0) REVERT: l 156 LEU cc_start: 0.8351 (OUTLIER) cc_final: 0.8140 (mp) REVERT: l 193 ARG cc_start: 0.6715 (mmt90) cc_final: 0.6511 (mmt90) REVERT: l 235 GLU cc_start: 0.8301 (OUTLIER) cc_final: 0.8031 (tt0) REVERT: m 229 ASP cc_start: 0.7350 (OUTLIER) cc_final: 0.6860 (m-30) REVERT: n 24 ARG cc_start: 0.7827 (ttm110) cc_final: 0.7531 (ttp80) REVERT: n 62 ASN cc_start: 0.7725 (OUTLIER) cc_final: 0.7480 (OUTLIER) REVERT: n 133 SER cc_start: 0.8814 (OUTLIER) cc_final: 0.8581 (p) REVERT: o 179 ASN cc_start: 0.7510 (OUTLIER) cc_final: 0.7098 (t0) REVERT: p 156 LEU cc_start: 0.8346 (OUTLIER) cc_final: 0.8135 (mp) REVERT: q 192 LYS cc_start: 0.7416 (OUTLIER) cc_final: 0.6837 (mmpt) REVERT: q 229 ASP cc_start: 0.7354 (OUTLIER) cc_final: 0.6861 (m-30) REVERT: r 24 ARG cc_start: 0.7827 (ttm110) cc_final: 0.7534 (ttp80) REVERT: r 62 ASN cc_start: 0.7736 (OUTLIER) cc_final: 0.7504 (OUTLIER) REVERT: r 133 SER cc_start: 0.8810 (OUTLIER) cc_final: 0.8577 (p) REVERT: r 193 ARG cc_start: 0.6668 (OUTLIER) cc_final: 0.6155 (mmt90) REVERT: s 93 GLU cc_start: 0.8316 (OUTLIER) cc_final: 0.6821 (mp0) REVERT: s 229 ASP cc_start: 0.7265 (OUTLIER) cc_final: 0.6729 (m-30) REVERT: t 156 LEU cc_start: 0.8348 (OUTLIER) cc_final: 0.8137 (mp) REVERT: t 235 GLU cc_start: 0.8298 (OUTLIER) cc_final: 0.8027 (tt0) REVERT: u 229 ASP cc_start: 0.7352 (OUTLIER) cc_final: 0.6861 (m-30) REVERT: v 24 ARG cc_start: 0.7824 (ttm110) cc_final: 0.7532 (ttp80) REVERT: v 62 ASN cc_start: 0.7735 (OUTLIER) cc_final: 0.7497 (OUTLIER) REVERT: v 133 SER cc_start: 0.8818 (OUTLIER) cc_final: 0.8577 (p) REVERT: v 193 ARG cc_start: 0.6639 (OUTLIER) cc_final: 0.6204 (mmt90) REVERT: w 229 ASP cc_start: 0.7261 (OUTLIER) cc_final: 0.6729 (m-30) REVERT: x 179 ASN cc_start: 0.7510 (OUTLIER) cc_final: 0.7097 (t0) outliers start: 459 outliers final: 345 residues processed: 946 average time/residue: 2.0830 time to fit residues: 2716.7687 Evaluate side-chains 938 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 418 poor density : 520 time to evaluate : 11.065 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 75 LEU Chi-restraints excluded: chain A residue 156 LEU Chi-restraints excluded: chain A residue 159 PHE Chi-restraints excluded: chain A residue 178 ILE Chi-restraints excluded: chain A residue 235 GLU Chi-restraints excluded: chain A residue 254 VAL Chi-restraints excluded: chain A residue 260 LEU Chi-restraints excluded: chain B residue 27 PHE Chi-restraints excluded: chain B residue 156 LEU Chi-restraints excluded: chain B residue 159 PHE Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 254 VAL Chi-restraints excluded: chain B residue 260 LEU Chi-restraints excluded: chain C residue 62 ASN Chi-restraints excluded: chain C residue 133 SER Chi-restraints excluded: chain C residue 156 LEU Chi-restraints excluded: chain C residue 159 PHE Chi-restraints excluded: chain C residue 254 VAL Chi-restraints excluded: chain C residue 260 LEU Chi-restraints excluded: chain C residue 264 LYS Chi-restraints excluded: chain D residue 159 PHE Chi-restraints excluded: chain D residue 178 ILE Chi-restraints excluded: chain D residue 193 ARG Chi-restraints excluded: chain D residue 229 ASP Chi-restraints excluded: chain D residue 254 VAL Chi-restraints excluded: chain D residue 260 LEU Chi-restraints excluded: chain E residue 56 GLU Chi-restraints excluded: chain E residue 159 PHE Chi-restraints excluded: chain E residue 178 ILE Chi-restraints excluded: chain E residue 179 ASN Chi-restraints excluded: chain E residue 193 ARG Chi-restraints excluded: chain E residue 222 PHE Chi-restraints excluded: chain E residue 254 VAL Chi-restraints excluded: chain E residue 260 LEU Chi-restraints excluded: chain F residue 56 GLU Chi-restraints excluded: chain F residue 159 PHE Chi-restraints excluded: chain F residue 178 ILE Chi-restraints excluded: chain F residue 179 ASN Chi-restraints excluded: chain F residue 193 ARG Chi-restraints excluded: chain F residue 222 PHE Chi-restraints excluded: chain F residue 254 VAL Chi-restraints excluded: chain F residue 260 LEU Chi-restraints excluded: chain G residue 75 LEU Chi-restraints excluded: chain G residue 156 LEU Chi-restraints excluded: chain G residue 159 PHE Chi-restraints excluded: chain G residue 178 ILE Chi-restraints excluded: chain G residue 235 GLU Chi-restraints excluded: chain G residue 254 VAL Chi-restraints excluded: chain G residue 260 LEU Chi-restraints excluded: chain H residue 27 PHE Chi-restraints excluded: chain H residue 156 LEU Chi-restraints excluded: chain H residue 159 PHE Chi-restraints excluded: chain H residue 210 GLU Chi-restraints excluded: chain H residue 254 VAL Chi-restraints excluded: chain H residue 260 LEU Chi-restraints excluded: chain I residue 62 ASN Chi-restraints excluded: chain I residue 133 SER Chi-restraints excluded: chain I residue 156 LEU Chi-restraints excluded: chain I residue 159 PHE Chi-restraints excluded: chain I residue 254 VAL Chi-restraints excluded: chain I residue 260 LEU Chi-restraints excluded: chain I residue 264 LYS Chi-restraints excluded: chain J residue 159 PHE Chi-restraints excluded: chain J residue 178 ILE Chi-restraints excluded: chain J residue 193 ARG Chi-restraints excluded: chain J residue 229 ASP Chi-restraints excluded: chain J residue 254 VAL Chi-restraints excluded: chain J residue 260 LEU Chi-restraints excluded: chain K residue 93 GLU Chi-restraints excluded: chain K residue 159 PHE Chi-restraints excluded: chain K residue 178 ILE Chi-restraints excluded: chain K residue 193 ARG Chi-restraints excluded: chain K residue 229 ASP Chi-restraints excluded: chain K residue 254 VAL Chi-restraints excluded: chain K residue 260 LEU Chi-restraints excluded: chain L residue 56 GLU Chi-restraints excluded: chain L residue 159 PHE Chi-restraints excluded: chain L residue 178 ILE Chi-restraints excluded: chain L residue 179 ASN Chi-restraints excluded: chain L residue 193 ARG Chi-restraints excluded: chain L residue 222 PHE Chi-restraints excluded: chain L residue 254 VAL Chi-restraints excluded: chain L residue 260 LEU Chi-restraints excluded: chain M residue 75 LEU Chi-restraints excluded: chain M residue 156 LEU Chi-restraints excluded: chain M residue 159 PHE Chi-restraints excluded: chain M residue 178 ILE Chi-restraints excluded: chain M residue 254 VAL Chi-restraints excluded: chain M residue 260 LEU Chi-restraints excluded: chain N residue 27 PHE Chi-restraints excluded: chain N residue 156 LEU Chi-restraints excluded: chain N residue 159 PHE Chi-restraints excluded: chain N residue 210 GLU Chi-restraints excluded: chain N residue 229 ASP Chi-restraints excluded: chain N residue 254 VAL Chi-restraints excluded: chain N residue 260 LEU Chi-restraints excluded: chain O residue 62 ASN Chi-restraints excluded: chain O residue 133 SER Chi-restraints excluded: chain O residue 156 LEU Chi-restraints excluded: chain O residue 159 PHE Chi-restraints excluded: chain O residue 254 VAL Chi-restraints excluded: chain O residue 260 LEU Chi-restraints excluded: chain O residue 264 LYS Chi-restraints excluded: chain P residue 62 ASN Chi-restraints excluded: chain P residue 133 SER Chi-restraints excluded: chain P residue 156 LEU Chi-restraints excluded: chain P residue 159 PHE Chi-restraints excluded: chain P residue 254 VAL Chi-restraints excluded: chain P residue 260 LEU Chi-restraints excluded: chain P residue 264 LYS Chi-restraints excluded: chain Q residue 93 GLU Chi-restraints excluded: chain Q residue 159 PHE Chi-restraints excluded: chain Q residue 178 ILE Chi-restraints excluded: chain Q residue 193 ARG Chi-restraints excluded: chain Q residue 229 ASP Chi-restraints excluded: chain Q residue 254 VAL Chi-restraints excluded: chain Q residue 260 LEU Chi-restraints excluded: chain R residue 56 GLU Chi-restraints excluded: chain R residue 159 PHE Chi-restraints excluded: chain R residue 178 ILE Chi-restraints excluded: chain R residue 179 ASN Chi-restraints excluded: chain R residue 193 ARG Chi-restraints excluded: chain R residue 222 PHE Chi-restraints excluded: chain R residue 254 VAL Chi-restraints excluded: chain R residue 260 LEU Chi-restraints excluded: chain S residue 75 LEU Chi-restraints excluded: chain S residue 156 LEU Chi-restraints excluded: chain S residue 159 PHE Chi-restraints excluded: chain S residue 178 ILE Chi-restraints excluded: chain S residue 254 VAL Chi-restraints excluded: chain T residue 27 PHE Chi-restraints excluded: chain T residue 156 LEU Chi-restraints excluded: chain T residue 159 PHE Chi-restraints excluded: chain T residue 210 GLU Chi-restraints excluded: chain T residue 254 VAL Chi-restraints excluded: chain T residue 260 LEU Chi-restraints excluded: chain U residue 56 GLU Chi-restraints excluded: chain U residue 159 PHE Chi-restraints excluded: chain U residue 178 ILE Chi-restraints excluded: chain U residue 179 ASN Chi-restraints excluded: chain U residue 193 ARG Chi-restraints excluded: chain U residue 222 PHE Chi-restraints excluded: chain U residue 254 VAL Chi-restraints excluded: chain U residue 260 LEU Chi-restraints excluded: chain V residue 75 LEU Chi-restraints excluded: chain V residue 156 LEU Chi-restraints excluded: chain V residue 159 PHE Chi-restraints excluded: chain V residue 178 ILE Chi-restraints excluded: chain V residue 235 GLU Chi-restraints excluded: chain V residue 254 VAL Chi-restraints excluded: chain V residue 260 LEU Chi-restraints excluded: chain W residue 27 PHE Chi-restraints excluded: chain W residue 156 LEU Chi-restraints excluded: chain W residue 159 PHE Chi-restraints excluded: chain W residue 192 LYS Chi-restraints excluded: chain W residue 210 GLU Chi-restraints excluded: chain W residue 229 ASP Chi-restraints excluded: chain W residue 254 VAL Chi-restraints excluded: chain W residue 260 LEU Chi-restraints excluded: chain X residue 62 ASN Chi-restraints excluded: chain X residue 133 SER Chi-restraints excluded: chain X residue 156 LEU Chi-restraints excluded: chain X residue 159 PHE Chi-restraints excluded: chain X residue 254 VAL Chi-restraints excluded: chain X residue 260 LEU Chi-restraints excluded: chain X residue 264 LYS Chi-restraints excluded: chain Y residue 159 PHE Chi-restraints excluded: chain Y residue 178 ILE Chi-restraints excluded: chain Y residue 193 ARG Chi-restraints excluded: chain Y residue 229 ASP Chi-restraints excluded: chain Y residue 254 VAL Chi-restraints excluded: chain Y residue 260 LEU Chi-restraints excluded: chain Z residue 75 LEU Chi-restraints excluded: chain Z residue 156 LEU Chi-restraints excluded: chain Z residue 159 PHE Chi-restraints excluded: chain Z residue 178 ILE Chi-restraints excluded: chain Z residue 254 VAL Chi-restraints excluded: chain 0 residue 27 PHE Chi-restraints excluded: chain 0 residue 156 LEU Chi-restraints excluded: chain 0 residue 159 PHE Chi-restraints excluded: chain 0 residue 192 LYS Chi-restraints excluded: chain 0 residue 210 GLU Chi-restraints excluded: chain 0 residue 229 ASP Chi-restraints excluded: chain 0 residue 254 VAL Chi-restraints excluded: chain 0 residue 260 LEU Chi-restraints excluded: chain 1 residue 62 ASN Chi-restraints excluded: chain 1 residue 133 SER Chi-restraints excluded: chain 1 residue 156 LEU Chi-restraints excluded: chain 1 residue 159 PHE Chi-restraints excluded: chain 1 residue 254 VAL Chi-restraints excluded: chain 1 residue 260 LEU Chi-restraints excluded: chain 1 residue 264 LYS Chi-restraints excluded: chain 2 residue 159 PHE Chi-restraints excluded: chain 2 residue 178 ILE Chi-restraints excluded: chain 2 residue 193 ARG Chi-restraints excluded: chain 2 residue 229 ASP Chi-restraints excluded: chain 2 residue 254 VAL Chi-restraints excluded: chain 2 residue 260 LEU Chi-restraints excluded: chain 3 residue 56 GLU Chi-restraints excluded: chain 3 residue 159 PHE Chi-restraints excluded: chain 3 residue 178 ILE Chi-restraints excluded: chain 3 residue 179 ASN Chi-restraints excluded: chain 3 residue 193 ARG Chi-restraints excluded: chain 3 residue 222 PHE Chi-restraints excluded: chain 3 residue 254 VAL Chi-restraints excluded: chain 3 residue 260 LEU Chi-restraints excluded: chain 4 residue 62 ASN Chi-restraints excluded: chain 4 residue 133 SER Chi-restraints excluded: chain 4 residue 156 LEU Chi-restraints excluded: chain 4 residue 159 PHE Chi-restraints excluded: chain 4 residue 254 VAL Chi-restraints excluded: chain 4 residue 260 LEU Chi-restraints excluded: chain 4 residue 264 LYS Chi-restraints excluded: chain 5 residue 159 PHE Chi-restraints excluded: chain 5 residue 178 ILE Chi-restraints excluded: chain 5 residue 193 ARG Chi-restraints excluded: chain 5 residue 229 ASP Chi-restraints excluded: chain 5 residue 254 VAL Chi-restraints excluded: chain 5 residue 260 LEU Chi-restraints excluded: chain 6 residue 56 GLU Chi-restraints excluded: chain 6 residue 159 PHE Chi-restraints excluded: chain 6 residue 178 ILE Chi-restraints excluded: chain 6 residue 179 ASN Chi-restraints excluded: chain 6 residue 193 ARG Chi-restraints excluded: chain 6 residue 222 PHE Chi-restraints excluded: chain 6 residue 254 VAL Chi-restraints excluded: chain 6 residue 260 LEU Chi-restraints excluded: chain 7 residue 75 LEU Chi-restraints excluded: chain 7 residue 156 LEU Chi-restraints excluded: chain 7 residue 159 PHE Chi-restraints excluded: chain 7 residue 178 ILE Chi-restraints excluded: chain 7 residue 235 GLU Chi-restraints excluded: chain 7 residue 254 VAL Chi-restraints excluded: chain 7 residue 260 LEU Chi-restraints excluded: chain 8 residue 27 PHE Chi-restraints excluded: chain 8 residue 156 LEU Chi-restraints excluded: chain 8 residue 159 PHE Chi-restraints excluded: chain 8 residue 210 GLU Chi-restraints excluded: chain 8 residue 229 ASP Chi-restraints excluded: chain 8 residue 254 VAL Chi-restraints excluded: chain 8 residue 260 LEU Chi-restraints excluded: chain 9 residue 124 GLU Chi-restraints excluded: chain 9 residue 159 PHE Chi-restraints excluded: chain 9 residue 178 ILE Chi-restraints excluded: chain 9 residue 193 ARG Chi-restraints excluded: chain 9 residue 229 ASP Chi-restraints excluded: chain 9 residue 254 VAL Chi-restraints excluded: chain 9 residue 260 LEU Chi-restraints excluded: chain a residue 56 GLU Chi-restraints excluded: chain a residue 159 PHE Chi-restraints excluded: chain a residue 178 ILE Chi-restraints excluded: chain a residue 179 ASN Chi-restraints excluded: chain a residue 193 ARG Chi-restraints excluded: chain a residue 222 PHE Chi-restraints excluded: chain a residue 254 VAL Chi-restraints excluded: chain a residue 260 LEU Chi-restraints excluded: chain b residue 75 LEU Chi-restraints excluded: chain b residue 156 LEU Chi-restraints excluded: chain b residue 159 PHE Chi-restraints excluded: chain b residue 178 ILE Chi-restraints excluded: chain b residue 235 GLU Chi-restraints excluded: chain b residue 254 VAL Chi-restraints excluded: chain b residue 260 LEU Chi-restraints excluded: chain c residue 27 PHE Chi-restraints excluded: chain c residue 156 LEU Chi-restraints excluded: chain c residue 159 PHE Chi-restraints excluded: chain c residue 192 LYS Chi-restraints excluded: chain c residue 210 GLU Chi-restraints excluded: chain c residue 229 ASP Chi-restraints excluded: chain c residue 254 VAL Chi-restraints excluded: chain c residue 260 LEU Chi-restraints excluded: chain d residue 62 ASN Chi-restraints excluded: chain d residue 133 SER Chi-restraints excluded: chain d residue 156 LEU Chi-restraints excluded: chain d residue 159 PHE Chi-restraints excluded: chain d residue 254 VAL Chi-restraints excluded: chain d residue 260 LEU Chi-restraints excluded: chain d residue 264 LYS Chi-restraints excluded: chain e residue 62 ASN Chi-restraints excluded: chain e residue 133 SER Chi-restraints excluded: chain e residue 156 LEU Chi-restraints excluded: chain e residue 159 PHE Chi-restraints excluded: chain e residue 254 VAL Chi-restraints excluded: chain e residue 260 LEU Chi-restraints excluded: chain e residue 264 LYS Chi-restraints excluded: chain f residue 159 PHE Chi-restraints excluded: chain f residue 178 ILE Chi-restraints excluded: chain f residue 193 ARG Chi-restraints excluded: chain f residue 229 ASP Chi-restraints excluded: chain f residue 254 VAL Chi-restraints excluded: chain f residue 260 LEU Chi-restraints excluded: chain g residue 56 GLU Chi-restraints excluded: chain g residue 159 PHE Chi-restraints excluded: chain g residue 178 ILE Chi-restraints excluded: chain g residue 179 ASN Chi-restraints excluded: chain g residue 193 ARG Chi-restraints excluded: chain g residue 222 PHE Chi-restraints excluded: chain g residue 254 VAL Chi-restraints excluded: chain g residue 260 LEU Chi-restraints excluded: chain h residue 75 LEU Chi-restraints excluded: chain h residue 156 LEU Chi-restraints excluded: chain h residue 159 PHE Chi-restraints excluded: chain h residue 178 ILE Chi-restraints excluded: chain h residue 254 VAL Chi-restraints excluded: chain h residue 260 LEU Chi-restraints excluded: chain i residue 27 PHE Chi-restraints excluded: chain i residue 156 LEU Chi-restraints excluded: chain i residue 159 PHE Chi-restraints excluded: chain i residue 210 GLU Chi-restraints excluded: chain i residue 254 VAL Chi-restraints excluded: chain i residue 260 LEU Chi-restraints excluded: chain j residue 159 PHE Chi-restraints excluded: chain j residue 178 ILE Chi-restraints excluded: chain j residue 193 ARG Chi-restraints excluded: chain j residue 229 ASP Chi-restraints excluded: chain j residue 254 VAL Chi-restraints excluded: chain j residue 260 LEU Chi-restraints excluded: chain k residue 56 GLU Chi-restraints excluded: chain k residue 159 PHE Chi-restraints excluded: chain k residue 178 ILE Chi-restraints excluded: chain k residue 179 ASN Chi-restraints excluded: chain k residue 193 ARG Chi-restraints excluded: chain k residue 222 PHE Chi-restraints excluded: chain k residue 254 VAL Chi-restraints excluded: chain k residue 260 LEU Chi-restraints excluded: chain l residue 75 LEU Chi-restraints excluded: chain l residue 156 LEU Chi-restraints excluded: chain l residue 159 PHE Chi-restraints excluded: chain l residue 178 ILE Chi-restraints excluded: chain l residue 235 GLU Chi-restraints excluded: chain l residue 254 VAL Chi-restraints excluded: chain m residue 27 PHE Chi-restraints excluded: chain m residue 156 LEU Chi-restraints excluded: chain m residue 159 PHE Chi-restraints excluded: chain m residue 210 GLU Chi-restraints excluded: chain m residue 229 ASP Chi-restraints excluded: chain m residue 254 VAL Chi-restraints excluded: chain m residue 260 LEU Chi-restraints excluded: chain n residue 62 ASN Chi-restraints excluded: chain n residue 133 SER Chi-restraints excluded: chain n residue 156 LEU Chi-restraints excluded: chain n residue 159 PHE Chi-restraints excluded: chain n residue 254 VAL Chi-restraints excluded: chain n residue 260 LEU Chi-restraints excluded: chain n residue 264 LYS Chi-restraints excluded: chain o residue 56 GLU Chi-restraints excluded: chain o residue 159 PHE Chi-restraints excluded: chain o residue 178 ILE Chi-restraints excluded: chain o residue 179 ASN Chi-restraints excluded: chain o residue 193 ARG Chi-restraints excluded: chain o residue 222 PHE Chi-restraints excluded: chain o residue 254 VAL Chi-restraints excluded: chain o residue 260 LEU Chi-restraints excluded: chain p residue 75 LEU Chi-restraints excluded: chain p residue 156 LEU Chi-restraints excluded: chain p residue 159 PHE Chi-restraints excluded: chain p residue 178 ILE Chi-restraints excluded: chain p residue 254 VAL Chi-restraints excluded: chain p residue 260 LEU Chi-restraints excluded: chain q residue 27 PHE Chi-restraints excluded: chain q residue 156 LEU Chi-restraints excluded: chain q residue 159 PHE Chi-restraints excluded: chain q residue 192 LYS Chi-restraints excluded: chain q residue 210 GLU Chi-restraints excluded: chain q residue 229 ASP Chi-restraints excluded: chain q residue 254 VAL Chi-restraints excluded: chain q residue 260 LEU Chi-restraints excluded: chain r residue 62 ASN Chi-restraints excluded: chain r residue 133 SER Chi-restraints excluded: chain r residue 156 LEU Chi-restraints excluded: chain r residue 159 PHE Chi-restraints excluded: chain r residue 193 ARG Chi-restraints excluded: chain r residue 254 VAL Chi-restraints excluded: chain r residue 260 LEU Chi-restraints excluded: chain r residue 264 LYS Chi-restraints excluded: chain s residue 93 GLU Chi-restraints excluded: chain s residue 159 PHE Chi-restraints excluded: chain s residue 178 ILE Chi-restraints excluded: chain s residue 193 ARG Chi-restraints excluded: chain s residue 229 ASP Chi-restraints excluded: chain s residue 254 VAL Chi-restraints excluded: chain s residue 260 LEU Chi-restraints excluded: chain t residue 75 LEU Chi-restraints excluded: chain t residue 156 LEU Chi-restraints excluded: chain t residue 159 PHE Chi-restraints excluded: chain t residue 178 ILE Chi-restraints excluded: chain t residue 235 GLU Chi-restraints excluded: chain t residue 254 VAL Chi-restraints excluded: chain t residue 260 LEU Chi-restraints excluded: chain u residue 27 PHE Chi-restraints excluded: chain u residue 156 LEU Chi-restraints excluded: chain u residue 159 PHE Chi-restraints excluded: chain u residue 210 GLU Chi-restraints excluded: chain u residue 229 ASP Chi-restraints excluded: chain u residue 254 VAL Chi-restraints excluded: chain u residue 260 LEU Chi-restraints excluded: chain v residue 62 ASN Chi-restraints excluded: chain v residue 133 SER Chi-restraints excluded: chain v residue 156 LEU Chi-restraints excluded: chain v residue 159 PHE Chi-restraints excluded: chain v residue 193 ARG Chi-restraints excluded: chain v residue 254 VAL Chi-restraints excluded: chain v residue 260 LEU Chi-restraints excluded: chain v residue 264 LYS Chi-restraints excluded: chain w residue 159 PHE Chi-restraints excluded: chain w residue 178 ILE Chi-restraints excluded: chain w residue 193 ARG Chi-restraints excluded: chain w residue 229 ASP Chi-restraints excluded: chain w residue 254 VAL Chi-restraints excluded: chain w residue 260 LEU Chi-restraints excluded: chain x residue 56 GLU Chi-restraints excluded: chain x residue 159 PHE Chi-restraints excluded: chain x residue 178 ILE Chi-restraints excluded: chain x residue 179 ASN Chi-restraints excluded: chain x residue 193 ARG Chi-restraints excluded: chain x residue 222 PHE Chi-restraints excluded: chain x residue 254 VAL Chi-restraints excluded: chain x residue 260 LEU Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 1455 optimal weight: 1.9990 chunk 170 optimal weight: 0.3980 chunk 859 optimal weight: 0.7980 chunk 1102 optimal weight: 10.0000 chunk 854 optimal weight: 10.0000 chunk 1270 optimal weight: 10.0000 chunk 842 optimal weight: 8.9990 chunk 1503 optimal weight: 10.0000 chunk 940 optimal weight: 9.9990 chunk 916 optimal weight: 2.9990 chunk 694 optimal weight: 3.9990 overall best weight: 2.0386 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8195 moved from start: 0.1854 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.021 132600 Z= 0.175 Angle : 0.552 4.795 179160 Z= 0.297 Chirality : 0.043 0.147 19800 Planarity : 0.005 0.052 22920 Dihedral : 6.537 34.883 18168 Min Nonbonded Distance : 2.338 Molprobity Statistics. All-atom Clashscore : 2.35 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.96 % Favored : 96.04 % Rotamer: Outliers : 3.62 % Allowed : 25.16 % Favored : 71.23 % 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: -0.68 (0.06), residues: 15720 helix: 1.91 (0.07), residues: 4800 sheet: -0.08 (0.09), residues: 3000 loop : -2.25 (0.06), residues: 7920 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.001 TRP 1 16 HIS 0.003 0.001 HIS E 50 PHE 0.009 0.001 PHE J 36 TYR 0.006 0.001 TYR q 47 ARG 0.003 0.000 ARG p 208 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31440 Ramachandran restraints generated. 15720 Oldfield, 0 Emsley, 15720 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31440 Ramachandran restraints generated. 15720 Oldfield, 0 Emsley, 15720 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1074 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 508 poor density : 566 time to evaluate : 11.190 Fit side-chains REVERT: A 156 LEU cc_start: 0.8348 (OUTLIER) cc_final: 0.8141 (mp) REVERT: A 235 GLU cc_start: 0.8306 (OUTLIER) cc_final: 0.8040 (tt0) REVERT: C 24 ARG cc_start: 0.7819 (ttm110) cc_final: 0.7535 (ttp80) REVERT: C 62 ASN cc_start: 0.7709 (OUTLIER) cc_final: 0.7467 (OUTLIER) REVERT: C 133 SER cc_start: 0.8807 (OUTLIER) cc_final: 0.8589 (p) REVERT: D 93 GLU cc_start: 0.8307 (OUTLIER) cc_final: 0.6816 (mp0) REVERT: D 124 GLU cc_start: 0.7226 (OUTLIER) cc_final: 0.6910 (tm-30) REVERT: D 229 ASP cc_start: 0.7235 (OUTLIER) cc_final: 0.6686 (m-30) REVERT: E 179 ASN cc_start: 0.7507 (OUTLIER) cc_final: 0.7099 (t0) REVERT: F 179 ASN cc_start: 0.7507 (OUTLIER) cc_final: 0.7103 (t0) REVERT: G 156 LEU cc_start: 0.8347 (OUTLIER) cc_final: 0.8138 (mp) REVERT: G 235 GLU cc_start: 0.8304 (OUTLIER) cc_final: 0.8042 (tt0) REVERT: I 24 ARG cc_start: 0.7823 (ttm110) cc_final: 0.7539 (ttp80) REVERT: I 62 ASN cc_start: 0.7715 (OUTLIER) cc_final: 0.7477 (OUTLIER) REVERT: I 133 SER cc_start: 0.8808 (OUTLIER) cc_final: 0.8586 (p) REVERT: J 93 GLU cc_start: 0.8307 (OUTLIER) cc_final: 0.6813 (mp0) REVERT: J 124 GLU cc_start: 0.7225 (OUTLIER) cc_final: 0.6901 (tm-30) REVERT: J 229 ASP cc_start: 0.7229 (OUTLIER) cc_final: 0.6683 (m-30) REVERT: K 93 GLU cc_start: 0.8317 (OUTLIER) cc_final: 0.6824 (mp0) REVERT: K 124 GLU cc_start: 0.7222 (OUTLIER) cc_final: 0.6909 (tm-30) REVERT: K 229 ASP cc_start: 0.7234 (OUTLIER) cc_final: 0.6687 (m-30) REVERT: L 179 ASN cc_start: 0.7508 (OUTLIER) cc_final: 0.7102 (t0) REVERT: M 156 LEU cc_start: 0.8350 (OUTLIER) cc_final: 0.8144 (mp) REVERT: M 235 GLU cc_start: 0.8308 (OUTLIER) cc_final: 0.8041 (tt0) REVERT: N 192 LYS cc_start: 0.7442 (OUTLIER) cc_final: 0.6864 (mmpt) REVERT: N 229 ASP cc_start: 0.7317 (OUTLIER) cc_final: 0.6824 (m-30) REVERT: O 24 ARG cc_start: 0.7820 (ttm110) cc_final: 0.7542 (ttp80) REVERT: O 62 ASN cc_start: 0.7712 (OUTLIER) cc_final: 0.7468 (OUTLIER) REVERT: O 133 SER cc_start: 0.8812 (OUTLIER) cc_final: 0.8588 (p) REVERT: P 24 ARG cc_start: 0.7823 (ttm110) cc_final: 0.7543 (ttp80) REVERT: P 62 ASN cc_start: 0.7714 (OUTLIER) cc_final: 0.7473 (OUTLIER) REVERT: P 133 SER cc_start: 0.8806 (OUTLIER) cc_final: 0.8590 (p) REVERT: Q 93 GLU cc_start: 0.8315 (OUTLIER) cc_final: 0.6822 (mp0) REVERT: Q 124 GLU cc_start: 0.7226 (OUTLIER) cc_final: 0.6910 (tm-30) REVERT: Q 229 ASP cc_start: 0.7236 (OUTLIER) cc_final: 0.6687 (m-30) REVERT: R 179 ASN cc_start: 0.7511 (OUTLIER) cc_final: 0.7108 (t0) REVERT: S 156 LEU cc_start: 0.8352 (OUTLIER) cc_final: 0.8143 (mp) REVERT: S 235 GLU cc_start: 0.8307 (OUTLIER) cc_final: 0.8041 (tt0) REVERT: U 179 ASN cc_start: 0.7512 (OUTLIER) cc_final: 0.7108 (t0) REVERT: V 156 LEU cc_start: 0.8348 (OUTLIER) cc_final: 0.8142 (mp) REVERT: V 235 GLU cc_start: 0.8308 (OUTLIER) cc_final: 0.8044 (tt0) REVERT: W 192 LYS cc_start: 0.7409 (OUTLIER) cc_final: 0.6824 (mmpt) REVERT: W 229 ASP cc_start: 0.7315 (OUTLIER) cc_final: 0.6821 (m-30) REVERT: X 24 ARG cc_start: 0.7817 (ttm110) cc_final: 0.7533 (ttp80) REVERT: X 62 ASN cc_start: 0.7716 (OUTLIER) cc_final: 0.7468 (OUTLIER) REVERT: X 133 SER cc_start: 0.8815 (OUTLIER) cc_final: 0.8588 (p) REVERT: Y 93 GLU cc_start: 0.8313 (OUTLIER) cc_final: 0.6819 (mp0) REVERT: Y 124 GLU cc_start: 0.7230 (OUTLIER) cc_final: 0.6908 (tm-30) REVERT: Y 229 ASP cc_start: 0.7239 (OUTLIER) cc_final: 0.6690 (m-30) REVERT: Z 156 LEU cc_start: 0.8351 (OUTLIER) cc_final: 0.8143 (mp) REVERT: Z 235 GLU cc_start: 0.8308 (OUTLIER) cc_final: 0.8042 (tt0) REVERT: 0 192 LYS cc_start: 0.7415 (OUTLIER) cc_final: 0.6830 (mmpt) REVERT: 0 229 ASP cc_start: 0.7317 (OUTLIER) cc_final: 0.6827 (m-30) REVERT: 1 24 ARG cc_start: 0.7822 (ttm110) cc_final: 0.7542 (ttp80) REVERT: 1 62 ASN cc_start: 0.7712 (OUTLIER) cc_final: 0.7472 (OUTLIER) REVERT: 1 133 SER cc_start: 0.8808 (OUTLIER) cc_final: 0.8586 (p) REVERT: 2 93 GLU cc_start: 0.8312 (OUTLIER) cc_final: 0.6815 (mp0) REVERT: 2 124 GLU cc_start: 0.7225 (OUTLIER) cc_final: 0.6905 (tm-30) REVERT: 2 229 ASP cc_start: 0.7232 (OUTLIER) cc_final: 0.6685 (m-30) REVERT: 3 179 ASN cc_start: 0.7509 (OUTLIER) cc_final: 0.7102 (t0) REVERT: 4 24 ARG cc_start: 0.7821 (ttm110) cc_final: 0.7536 (ttp80) REVERT: 4 62 ASN cc_start: 0.7712 (OUTLIER) cc_final: 0.7467 (OUTLIER) REVERT: 4 133 SER cc_start: 0.8812 (OUTLIER) cc_final: 0.8585 (p) REVERT: 5 93 GLU cc_start: 0.8307 (OUTLIER) cc_final: 0.6813 (mp0) REVERT: 5 124 GLU cc_start: 0.7228 (OUTLIER) cc_final: 0.6913 (tm-30) REVERT: 5 229 ASP cc_start: 0.7234 (OUTLIER) cc_final: 0.6689 (m-30) REVERT: 6 179 ASN cc_start: 0.7509 (OUTLIER) cc_final: 0.7102 (t0) REVERT: 7 156 LEU cc_start: 0.8346 (OUTLIER) cc_final: 0.8136 (mp) REVERT: 7 235 GLU cc_start: 0.8304 (OUTLIER) cc_final: 0.8041 (tt0) REVERT: 8 229 ASP cc_start: 0.7314 (OUTLIER) cc_final: 0.6821 (m-30) REVERT: 9 93 GLU cc_start: 0.8308 (OUTLIER) cc_final: 0.6817 (mp0) REVERT: 9 124 GLU cc_start: 0.7232 (OUTLIER) cc_final: 0.6910 (tm-30) REVERT: 9 229 ASP cc_start: 0.7245 (OUTLIER) cc_final: 0.6693 (m-30) REVERT: a 179 ASN cc_start: 0.7508 (OUTLIER) cc_final: 0.7102 (t0) REVERT: b 156 LEU cc_start: 0.8343 (OUTLIER) cc_final: 0.8136 (mp) REVERT: b 235 GLU cc_start: 0.8309 (OUTLIER) cc_final: 0.8040 (tt0) REVERT: c 192 LYS cc_start: 0.7471 (OUTLIER) cc_final: 0.6893 (mmpt) REVERT: c 229 ASP cc_start: 0.7313 (OUTLIER) cc_final: 0.6821 (m-30) REVERT: d 24 ARG cc_start: 0.7729 (ttm110) cc_final: 0.7212 (ttm110) REVERT: d 62 ASN cc_start: 0.7711 (OUTLIER) cc_final: 0.7467 (OUTLIER) REVERT: d 133 SER cc_start: 0.8812 (OUTLIER) cc_final: 0.8586 (p) REVERT: e 24 ARG cc_start: 0.7821 (ttm110) cc_final: 0.7538 (ttp80) REVERT: e 62 ASN cc_start: 0.7714 (OUTLIER) cc_final: 0.7470 (OUTLIER) REVERT: e 133 SER cc_start: 0.8808 (OUTLIER) cc_final: 0.8587 (p) REVERT: f 93 GLU cc_start: 0.8308 (OUTLIER) cc_final: 0.6817 (mp0) REVERT: f 124 GLU cc_start: 0.7229 (OUTLIER) cc_final: 0.6913 (tm-30) REVERT: f 229 ASP cc_start: 0.7247 (OUTLIER) cc_final: 0.6693 (m-30) REVERT: g 179 ASN cc_start: 0.7507 (OUTLIER) cc_final: 0.7104 (t0) REVERT: h 156 LEU cc_start: 0.8347 (OUTLIER) cc_final: 0.8140 (mp) REVERT: h 235 GLU cc_start: 0.8311 (OUTLIER) cc_final: 0.8044 (tt0) REVERT: j 93 GLU cc_start: 0.8312 (OUTLIER) cc_final: 0.6816 (mp0) REVERT: j 124 GLU cc_start: 0.7228 (OUTLIER) cc_final: 0.6913 (tm-30) REVERT: j 229 ASP cc_start: 0.7234 (OUTLIER) cc_final: 0.6687 (m-30) REVERT: k 179 ASN cc_start: 0.7506 (OUTLIER) cc_final: 0.7100 (t0) REVERT: l 156 LEU cc_start: 0.8351 (OUTLIER) cc_final: 0.8144 (mp) REVERT: l 235 GLU cc_start: 0.8309 (OUTLIER) cc_final: 0.8043 (tt0) REVERT: m 229 ASP cc_start: 0.7313 (OUTLIER) cc_final: 0.6822 (m-30) REVERT: n 24 ARG cc_start: 0.7821 (ttm110) cc_final: 0.7536 (ttp80) REVERT: n 62 ASN cc_start: 0.7716 (OUTLIER) cc_final: 0.7467 (OUTLIER) REVERT: n 133 SER cc_start: 0.8816 (OUTLIER) cc_final: 0.8586 (p) REVERT: o 179 ASN cc_start: 0.7506 (OUTLIER) cc_final: 0.7102 (t0) REVERT: p 156 LEU cc_start: 0.8346 (OUTLIER) cc_final: 0.8137 (mp) REVERT: p 235 GLU cc_start: 0.8311 (OUTLIER) cc_final: 0.8044 (tt0) REVERT: q 192 LYS cc_start: 0.7459 (OUTLIER) cc_final: 0.6877 (mmpt) REVERT: q 229 ASP cc_start: 0.7318 (OUTLIER) cc_final: 0.6824 (m-30) REVERT: r 24 ARG cc_start: 0.7823 (ttm110) cc_final: 0.7538 (ttp80) REVERT: r 62 ASN cc_start: 0.7717 (OUTLIER) cc_final: 0.7472 (OUTLIER) REVERT: r 133 SER cc_start: 0.8809 (OUTLIER) cc_final: 0.8589 (p) REVERT: r 193 ARG cc_start: 0.6653 (OUTLIER) cc_final: 0.6144 (mmt90) REVERT: s 93 GLU cc_start: 0.8310 (OUTLIER) cc_final: 0.6824 (mp0) REVERT: s 124 GLU cc_start: 0.7228 (OUTLIER) cc_final: 0.6909 (tm-30) REVERT: s 229 ASP cc_start: 0.7239 (OUTLIER) cc_final: 0.6688 (m-30) REVERT: t 156 LEU cc_start: 0.8348 (OUTLIER) cc_final: 0.8141 (mp) REVERT: t 235 GLU cc_start: 0.8307 (OUTLIER) cc_final: 0.8042 (tt0) REVERT: u 229 ASP cc_start: 0.7315 (OUTLIER) cc_final: 0.6821 (m-30) REVERT: v 24 ARG cc_start: 0.7820 (ttm110) cc_final: 0.7538 (ttp80) REVERT: v 62 ASN cc_start: 0.7716 (OUTLIER) cc_final: 0.7466 (OUTLIER) REVERT: v 133 SER cc_start: 0.8811 (OUTLIER) cc_final: 0.8585 (p) REVERT: v 193 ARG cc_start: 0.6643 (OUTLIER) cc_final: 0.6196 (mmt90) REVERT: w 93 GLU cc_start: 0.8313 (OUTLIER) cc_final: 0.6819 (mp0) REVERT: w 124 GLU cc_start: 0.7225 (OUTLIER) cc_final: 0.6905 (tm-30) REVERT: w 229 ASP cc_start: 0.7237 (OUTLIER) cc_final: 0.6690 (m-30) REVERT: x 179 ASN cc_start: 0.7510 (OUTLIER) cc_final: 0.7106 (t0) outliers start: 508 outliers final: 324 residues processed: 1013 average time/residue: 2.0951 time to fit residues: 2900.8841 Evaluate side-chains 968 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 423 poor density : 545 time to evaluate : 10.903 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 75 LEU Chi-restraints excluded: chain A residue 124 GLU Chi-restraints excluded: chain A residue 143 SER Chi-restraints excluded: chain A residue 156 LEU Chi-restraints excluded: chain A residue 159 PHE Chi-restraints excluded: chain A residue 178 ILE Chi-restraints excluded: chain A residue 235 GLU Chi-restraints excluded: chain A residue 254 VAL Chi-restraints excluded: chain A residue 260 LEU Chi-restraints excluded: chain B residue 27 PHE Chi-restraints excluded: chain B residue 156 LEU Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 254 VAL Chi-restraints excluded: chain B residue 260 LEU Chi-restraints excluded: chain C residue 62 ASN Chi-restraints excluded: chain C residue 98 ASN Chi-restraints excluded: chain C residue 133 SER Chi-restraints excluded: chain C residue 156 LEU Chi-restraints excluded: chain C residue 159 PHE Chi-restraints excluded: chain C residue 254 VAL Chi-restraints excluded: chain C residue 260 LEU Chi-restraints excluded: chain D residue 93 GLU Chi-restraints excluded: chain D residue 124 GLU Chi-restraints excluded: chain D residue 178 ILE Chi-restraints excluded: chain D residue 193 ARG Chi-restraints excluded: chain D residue 229 ASP Chi-restraints excluded: chain D residue 254 VAL Chi-restraints excluded: chain D residue 260 LEU Chi-restraints excluded: chain E residue 56 GLU Chi-restraints excluded: chain E residue 159 PHE Chi-restraints excluded: chain E residue 178 ILE Chi-restraints excluded: chain E residue 179 ASN Chi-restraints excluded: chain E residue 193 ARG Chi-restraints excluded: chain E residue 254 VAL Chi-restraints excluded: chain F residue 56 GLU Chi-restraints excluded: chain F residue 159 PHE Chi-restraints excluded: chain F residue 178 ILE Chi-restraints excluded: chain F residue 179 ASN Chi-restraints excluded: chain F residue 193 ARG Chi-restraints excluded: chain F residue 254 VAL Chi-restraints excluded: chain G residue 75 LEU Chi-restraints excluded: chain G residue 124 GLU Chi-restraints excluded: chain G residue 143 SER Chi-restraints excluded: chain G residue 156 LEU Chi-restraints excluded: chain G residue 159 PHE Chi-restraints excluded: chain G residue 178 ILE Chi-restraints excluded: chain G residue 235 GLU Chi-restraints excluded: chain G residue 254 VAL Chi-restraints excluded: chain G residue 260 LEU Chi-restraints excluded: chain H residue 27 PHE Chi-restraints excluded: chain H residue 156 LEU Chi-restraints excluded: chain H residue 210 GLU Chi-restraints excluded: chain H residue 254 VAL Chi-restraints excluded: chain H residue 260 LEU Chi-restraints excluded: chain I residue 62 ASN Chi-restraints excluded: chain I residue 98 ASN Chi-restraints excluded: chain I residue 133 SER Chi-restraints excluded: chain I residue 156 LEU Chi-restraints excluded: chain I residue 159 PHE Chi-restraints excluded: chain I residue 254 VAL Chi-restraints excluded: chain I residue 260 LEU Chi-restraints excluded: chain J residue 93 GLU Chi-restraints excluded: chain J residue 124 GLU Chi-restraints excluded: chain J residue 178 ILE Chi-restraints excluded: chain J residue 193 ARG Chi-restraints excluded: chain J residue 229 ASP Chi-restraints excluded: chain J residue 254 VAL Chi-restraints excluded: chain J residue 260 LEU Chi-restraints excluded: chain K residue 93 GLU Chi-restraints excluded: chain K residue 124 GLU Chi-restraints excluded: chain K residue 178 ILE Chi-restraints excluded: chain K residue 193 ARG Chi-restraints excluded: chain K residue 229 ASP Chi-restraints excluded: chain K residue 254 VAL Chi-restraints excluded: chain K residue 260 LEU Chi-restraints excluded: chain L residue 56 GLU Chi-restraints excluded: chain L residue 124 GLU Chi-restraints excluded: chain L residue 159 PHE Chi-restraints excluded: chain L residue 178 ILE Chi-restraints excluded: chain L residue 179 ASN Chi-restraints excluded: chain L residue 193 ARG Chi-restraints excluded: chain L residue 254 VAL Chi-restraints excluded: chain M residue 75 LEU Chi-restraints excluded: chain M residue 124 GLU Chi-restraints excluded: chain M residue 143 SER Chi-restraints excluded: chain M residue 156 LEU Chi-restraints excluded: chain M residue 159 PHE Chi-restraints excluded: chain M residue 178 ILE Chi-restraints excluded: chain M residue 235 GLU Chi-restraints excluded: chain M residue 254 VAL Chi-restraints excluded: chain M residue 260 LEU Chi-restraints excluded: chain N residue 27 PHE Chi-restraints excluded: chain N residue 156 LEU Chi-restraints excluded: chain N residue 192 LYS Chi-restraints excluded: chain N residue 210 GLU Chi-restraints excluded: chain N residue 229 ASP Chi-restraints excluded: chain N residue 254 VAL Chi-restraints excluded: chain N residue 260 LEU Chi-restraints excluded: chain O residue 62 ASN Chi-restraints excluded: chain O residue 98 ASN Chi-restraints excluded: chain O residue 133 SER Chi-restraints excluded: chain O residue 156 LEU Chi-restraints excluded: chain O residue 159 PHE Chi-restraints excluded: chain O residue 254 VAL Chi-restraints excluded: chain O residue 260 LEU Chi-restraints excluded: chain P residue 62 ASN Chi-restraints excluded: chain P residue 98 ASN Chi-restraints excluded: chain P residue 133 SER Chi-restraints excluded: chain P residue 156 LEU Chi-restraints excluded: chain P residue 159 PHE Chi-restraints excluded: chain P residue 254 VAL Chi-restraints excluded: chain P residue 260 LEU Chi-restraints excluded: chain Q residue 93 GLU Chi-restraints excluded: chain Q residue 124 GLU Chi-restraints excluded: chain Q residue 178 ILE Chi-restraints excluded: chain Q residue 193 ARG Chi-restraints excluded: chain Q residue 229 ASP Chi-restraints excluded: chain Q residue 254 VAL Chi-restraints excluded: chain Q residue 260 LEU Chi-restraints excluded: chain R residue 56 GLU Chi-restraints excluded: chain R residue 159 PHE Chi-restraints excluded: chain R residue 178 ILE Chi-restraints excluded: chain R residue 179 ASN Chi-restraints excluded: chain R residue 193 ARG Chi-restraints excluded: chain R residue 254 VAL Chi-restraints excluded: chain S residue 75 LEU Chi-restraints excluded: chain S residue 124 GLU Chi-restraints excluded: chain S residue 143 SER Chi-restraints excluded: chain S residue 156 LEU Chi-restraints excluded: chain S residue 159 PHE Chi-restraints excluded: chain S residue 178 ILE Chi-restraints excluded: chain S residue 235 GLU Chi-restraints excluded: chain S residue 254 VAL Chi-restraints excluded: chain T residue 27 PHE Chi-restraints excluded: chain T residue 156 LEU Chi-restraints excluded: chain T residue 210 GLU Chi-restraints excluded: chain T residue 254 VAL Chi-restraints excluded: chain T residue 260 LEU Chi-restraints excluded: chain U residue 56 GLU Chi-restraints excluded: chain U residue 159 PHE Chi-restraints excluded: chain U residue 178 ILE Chi-restraints excluded: chain U residue 179 ASN Chi-restraints excluded: chain U residue 193 ARG Chi-restraints excluded: chain U residue 254 VAL Chi-restraints excluded: chain V residue 75 LEU Chi-restraints excluded: chain V residue 124 GLU Chi-restraints excluded: chain V residue 143 SER Chi-restraints excluded: chain V residue 156 LEU Chi-restraints excluded: chain V residue 159 PHE Chi-restraints excluded: chain V residue 178 ILE Chi-restraints excluded: chain V residue 235 GLU Chi-restraints excluded: chain V residue 254 VAL Chi-restraints excluded: chain V residue 260 LEU Chi-restraints excluded: chain W residue 27 PHE Chi-restraints excluded: chain W residue 156 LEU Chi-restraints excluded: chain W residue 192 LYS Chi-restraints excluded: chain W residue 210 GLU Chi-restraints excluded: chain W residue 229 ASP Chi-restraints excluded: chain W residue 254 VAL Chi-restraints excluded: chain W residue 260 LEU Chi-restraints excluded: chain X residue 62 ASN Chi-restraints excluded: chain X residue 98 ASN Chi-restraints excluded: chain X residue 133 SER Chi-restraints excluded: chain X residue 156 LEU Chi-restraints excluded: chain X residue 159 PHE Chi-restraints excluded: chain X residue 254 VAL Chi-restraints excluded: chain X residue 260 LEU Chi-restraints excluded: chain Y residue 93 GLU Chi-restraints excluded: chain Y residue 124 GLU Chi-restraints excluded: chain Y residue 178 ILE Chi-restraints excluded: chain Y residue 193 ARG Chi-restraints excluded: chain Y residue 229 ASP Chi-restraints excluded: chain Y residue 254 VAL Chi-restraints excluded: chain Y residue 260 LEU Chi-restraints excluded: chain Z residue 75 LEU Chi-restraints excluded: chain Z residue 124 GLU Chi-restraints excluded: chain Z residue 143 SER Chi-restraints excluded: chain Z residue 156 LEU Chi-restraints excluded: chain Z residue 159 PHE Chi-restraints excluded: chain Z residue 178 ILE Chi-restraints excluded: chain Z residue 235 GLU Chi-restraints excluded: chain Z residue 254 VAL Chi-restraints excluded: chain 0 residue 27 PHE Chi-restraints excluded: chain 0 residue 156 LEU Chi-restraints excluded: chain 0 residue 192 LYS Chi-restraints excluded: chain 0 residue 210 GLU Chi-restraints excluded: chain 0 residue 229 ASP Chi-restraints excluded: chain 0 residue 254 VAL Chi-restraints excluded: chain 0 residue 260 LEU Chi-restraints excluded: chain 1 residue 62 ASN Chi-restraints excluded: chain 1 residue 98 ASN Chi-restraints excluded: chain 1 residue 133 SER Chi-restraints excluded: chain 1 residue 156 LEU Chi-restraints excluded: chain 1 residue 159 PHE Chi-restraints excluded: chain 1 residue 254 VAL Chi-restraints excluded: chain 1 residue 260 LEU Chi-restraints excluded: chain 1 residue 264 LYS Chi-restraints excluded: chain 2 residue 93 GLU Chi-restraints excluded: chain 2 residue 124 GLU Chi-restraints excluded: chain 2 residue 178 ILE Chi-restraints excluded: chain 2 residue 193 ARG Chi-restraints excluded: chain 2 residue 229 ASP Chi-restraints excluded: chain 2 residue 254 VAL Chi-restraints excluded: chain 2 residue 260 LEU Chi-restraints excluded: chain 3 residue 56 GLU Chi-restraints excluded: chain 3 residue 159 PHE Chi-restraints excluded: chain 3 residue 178 ILE Chi-restraints excluded: chain 3 residue 179 ASN Chi-restraints excluded: chain 3 residue 193 ARG Chi-restraints excluded: chain 3 residue 254 VAL Chi-restraints excluded: chain 4 residue 62 ASN Chi-restraints excluded: chain 4 residue 98 ASN Chi-restraints excluded: chain 4 residue 133 SER Chi-restraints excluded: chain 4 residue 156 LEU Chi-restraints excluded: chain 4 residue 159 PHE Chi-restraints excluded: chain 4 residue 254 VAL Chi-restraints excluded: chain 4 residue 260 LEU Chi-restraints excluded: chain 5 residue 93 GLU Chi-restraints excluded: chain 5 residue 124 GLU Chi-restraints excluded: chain 5 residue 178 ILE Chi-restraints excluded: chain 5 residue 193 ARG Chi-restraints excluded: chain 5 residue 229 ASP Chi-restraints excluded: chain 5 residue 254 VAL Chi-restraints excluded: chain 5 residue 260 LEU Chi-restraints excluded: chain 6 residue 56 GLU Chi-restraints excluded: chain 6 residue 159 PHE Chi-restraints excluded: chain 6 residue 178 ILE Chi-restraints excluded: chain 6 residue 179 ASN Chi-restraints excluded: chain 6 residue 193 ARG Chi-restraints excluded: chain 6 residue 254 VAL Chi-restraints excluded: chain 7 residue 75 LEU Chi-restraints excluded: chain 7 residue 124 GLU Chi-restraints excluded: chain 7 residue 143 SER Chi-restraints excluded: chain 7 residue 156 LEU Chi-restraints excluded: chain 7 residue 159 PHE Chi-restraints excluded: chain 7 residue 178 ILE Chi-restraints excluded: chain 7 residue 235 GLU Chi-restraints excluded: chain 7 residue 254 VAL Chi-restraints excluded: chain 7 residue 260 LEU Chi-restraints excluded: chain 8 residue 27 PHE Chi-restraints excluded: chain 8 residue 156 LEU Chi-restraints excluded: chain 8 residue 210 GLU Chi-restraints excluded: chain 8 residue 229 ASP Chi-restraints excluded: chain 8 residue 254 VAL Chi-restraints excluded: chain 8 residue 260 LEU Chi-restraints excluded: chain 9 residue 93 GLU Chi-restraints excluded: chain 9 residue 124 GLU Chi-restraints excluded: chain 9 residue 178 ILE Chi-restraints excluded: chain 9 residue 193 ARG Chi-restraints excluded: chain 9 residue 229 ASP Chi-restraints excluded: chain 9 residue 254 VAL Chi-restraints excluded: chain 9 residue 260 LEU Chi-restraints excluded: chain a residue 56 GLU Chi-restraints excluded: chain a residue 159 PHE Chi-restraints excluded: chain a residue 178 ILE Chi-restraints excluded: chain a residue 179 ASN Chi-restraints excluded: chain a residue 193 ARG Chi-restraints excluded: chain a residue 254 VAL Chi-restraints excluded: chain b residue 75 LEU Chi-restraints excluded: chain b residue 124 GLU Chi-restraints excluded: chain b residue 143 SER Chi-restraints excluded: chain b residue 156 LEU Chi-restraints excluded: chain b residue 159 PHE Chi-restraints excluded: chain b residue 178 ILE Chi-restraints excluded: chain b residue 235 GLU Chi-restraints excluded: chain b residue 254 VAL Chi-restraints excluded: chain b residue 260 LEU Chi-restraints excluded: chain c residue 27 PHE Chi-restraints excluded: chain c residue 156 LEU Chi-restraints excluded: chain c residue 192 LYS Chi-restraints excluded: chain c residue 210 GLU Chi-restraints excluded: chain c residue 229 ASP Chi-restraints excluded: chain c residue 254 VAL Chi-restraints excluded: chain c residue 260 LEU Chi-restraints excluded: chain d residue 62 ASN Chi-restraints excluded: chain d residue 98 ASN Chi-restraints excluded: chain d residue 133 SER Chi-restraints excluded: chain d residue 156 LEU Chi-restraints excluded: chain d residue 159 PHE Chi-restraints excluded: chain d residue 254 VAL Chi-restraints excluded: chain d residue 260 LEU Chi-restraints excluded: chain e residue 62 ASN Chi-restraints excluded: chain e residue 98 ASN Chi-restraints excluded: chain e residue 133 SER Chi-restraints excluded: chain e residue 156 LEU Chi-restraints excluded: chain e residue 159 PHE Chi-restraints excluded: chain e residue 254 VAL Chi-restraints excluded: chain e residue 260 LEU Chi-restraints excluded: chain f residue 93 GLU Chi-restraints excluded: chain f residue 124 GLU Chi-restraints excluded: chain f residue 178 ILE Chi-restraints excluded: chain f residue 193 ARG Chi-restraints excluded: chain f residue 229 ASP Chi-restraints excluded: chain f residue 254 VAL Chi-restraints excluded: chain f residue 260 LEU Chi-restraints excluded: chain g residue 56 GLU Chi-restraints excluded: chain g residue 159 PHE Chi-restraints excluded: chain g residue 178 ILE Chi-restraints excluded: chain g residue 179 ASN Chi-restraints excluded: chain g residue 193 ARG Chi-restraints excluded: chain g residue 254 VAL Chi-restraints excluded: chain h residue 75 LEU Chi-restraints excluded: chain h residue 124 GLU Chi-restraints excluded: chain h residue 143 SER Chi-restraints excluded: chain h residue 156 LEU Chi-restraints excluded: chain h residue 159 PHE Chi-restraints excluded: chain h residue 178 ILE Chi-restraints excluded: chain h residue 235 GLU Chi-restraints excluded: chain h residue 254 VAL Chi-restraints excluded: chain h residue 260 LEU Chi-restraints excluded: chain i residue 27 PHE Chi-restraints excluded: chain i residue 156 LEU Chi-restraints excluded: chain i residue 210 GLU Chi-restraints excluded: chain i residue 254 VAL Chi-restraints excluded: chain i residue 260 LEU Chi-restraints excluded: chain j residue 93 GLU Chi-restraints excluded: chain j residue 124 GLU Chi-restraints excluded: chain j residue 178 ILE Chi-restraints excluded: chain j residue 193 ARG Chi-restraints excluded: chain j residue 229 ASP Chi-restraints excluded: chain j residue 254 VAL Chi-restraints excluded: chain j residue 260 LEU Chi-restraints excluded: chain k residue 56 GLU Chi-restraints excluded: chain k residue 159 PHE Chi-restraints excluded: chain k residue 178 ILE Chi-restraints excluded: chain k residue 179 ASN Chi-restraints excluded: chain k residue 193 ARG Chi-restraints excluded: chain k residue 254 VAL Chi-restraints excluded: chain l residue 75 LEU Chi-restraints excluded: chain l residue 124 GLU Chi-restraints excluded: chain l residue 143 SER Chi-restraints excluded: chain l residue 156 LEU Chi-restraints excluded: chain l residue 159 PHE Chi-restraints excluded: chain l residue 178 ILE Chi-restraints excluded: chain l residue 235 GLU Chi-restraints excluded: chain l residue 254 VAL Chi-restraints excluded: chain m residue 27 PHE Chi-restraints excluded: chain m residue 156 LEU Chi-restraints excluded: chain m residue 210 GLU Chi-restraints excluded: chain m residue 229 ASP Chi-restraints excluded: chain m residue 254 VAL Chi-restraints excluded: chain m residue 260 LEU Chi-restraints excluded: chain n residue 62 ASN Chi-restraints excluded: chain n residue 98 ASN Chi-restraints excluded: chain n residue 133 SER Chi-restraints excluded: chain n residue 156 LEU Chi-restraints excluded: chain n residue 159 PHE Chi-restraints excluded: chain n residue 254 VAL Chi-restraints excluded: chain n residue 260 LEU Chi-restraints excluded: chain o residue 56 GLU Chi-restraints excluded: chain o residue 159 PHE Chi-restraints excluded: chain o residue 178 ILE Chi-restraints excluded: chain o residue 179 ASN Chi-restraints excluded: chain o residue 193 ARG Chi-restraints excluded: chain o residue 254 VAL Chi-restraints excluded: chain p residue 75 LEU Chi-restraints excluded: chain p residue 124 GLU Chi-restraints excluded: chain p residue 143 SER Chi-restraints excluded: chain p residue 156 LEU Chi-restraints excluded: chain p residue 159 PHE Chi-restraints excluded: chain p residue 178 ILE Chi-restraints excluded: chain p residue 235 GLU Chi-restraints excluded: chain p residue 254 VAL Chi-restraints excluded: chain p residue 260 LEU Chi-restraints excluded: chain q residue 27 PHE Chi-restraints excluded: chain q residue 156 LEU Chi-restraints excluded: chain q residue 192 LYS Chi-restraints excluded: chain q residue 210 GLU Chi-restraints excluded: chain q residue 229 ASP Chi-restraints excluded: chain q residue 254 VAL Chi-restraints excluded: chain q residue 260 LEU Chi-restraints excluded: chain r residue 62 ASN Chi-restraints excluded: chain r residue 98 ASN Chi-restraints excluded: chain r residue 133 SER Chi-restraints excluded: chain r residue 156 LEU Chi-restraints excluded: chain r residue 159 PHE Chi-restraints excluded: chain r residue 193 ARG Chi-restraints excluded: chain r residue 254 VAL Chi-restraints excluded: chain r residue 260 LEU Chi-restraints excluded: chain s residue 93 GLU Chi-restraints excluded: chain s residue 124 GLU Chi-restraints excluded: chain s residue 159 PHE Chi-restraints excluded: chain s residue 178 ILE Chi-restraints excluded: chain s residue 193 ARG Chi-restraints excluded: chain s residue 229 ASP Chi-restraints excluded: chain s residue 254 VAL Chi-restraints excluded: chain s residue 260 LEU Chi-restraints excluded: chain t residue 75 LEU Chi-restraints excluded: chain t residue 124 GLU Chi-restraints excluded: chain t residue 143 SER Chi-restraints excluded: chain t residue 156 LEU Chi-restraints excluded: chain t residue 159 PHE Chi-restraints excluded: chain t residue 178 ILE Chi-restraints excluded: chain t residue 235 GLU Chi-restraints excluded: chain t residue 254 VAL Chi-restraints excluded: chain t residue 260 LEU Chi-restraints excluded: chain u residue 27 PHE Chi-restraints excluded: chain u residue 156 LEU Chi-restraints excluded: chain u residue 210 GLU Chi-restraints excluded: chain u residue 229 ASP Chi-restraints excluded: chain u residue 254 VAL Chi-restraints excluded: chain u residue 260 LEU Chi-restraints excluded: chain v residue 62 ASN Chi-restraints excluded: chain v residue 98 ASN Chi-restraints excluded: chain v residue 133 SER Chi-restraints excluded: chain v residue 156 LEU Chi-restraints excluded: chain v residue 159 PHE Chi-restraints excluded: chain v residue 193 ARG Chi-restraints excluded: chain v residue 254 VAL Chi-restraints excluded: chain v residue 260 LEU Chi-restraints excluded: chain w residue 93 GLU Chi-restraints excluded: chain w residue 124 GLU Chi-restraints excluded: chain w residue 178 ILE Chi-restraints excluded: chain w residue 193 ARG Chi-restraints excluded: chain w residue 229 ASP Chi-restraints excluded: chain w residue 254 VAL Chi-restraints excluded: chain w residue 260 LEU Chi-restraints excluded: chain x residue 56 GLU Chi-restraints excluded: chain x residue 159 PHE Chi-restraints excluded: chain x residue 178 ILE Chi-restraints excluded: chain x residue 179 ASN Chi-restraints excluded: chain x residue 193 ARG Chi-restraints excluded: chain x residue 254 VAL Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 930 optimal weight: 8.9990 chunk 600 optimal weight: 6.9990 chunk 898 optimal weight: 7.9990 chunk 452 optimal weight: 5.9990 chunk 295 optimal weight: 9.9990 chunk 291 optimal weight: 9.9990 chunk 955 optimal weight: 7.9990 chunk 1024 optimal weight: 10.0000 chunk 743 optimal weight: 10.0000 chunk 140 optimal weight: 4.9990 chunk 1181 optimal weight: 0.9990 overall best weight: 5.3990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 173 ASN C 173 ASN G 173 ASN I 173 ASN M 173 ASN O 173 ASN P 173 ASN S 173 ASN V 173 ASN X 173 ASN Z 173 ASN 1 173 ASN 4 173 ASN 7 173 ASN b 173 ASN d 173 ASN e 173 ASN h 173 ASN l 173 ASN n 173 ASN p 173 ASN t 173 ASN v 173 ASN Total number of N/Q/H flips: 23 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8322 moved from start: 0.1561 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.032 132600 Z= 0.355 Angle : 0.781 7.789 179160 Z= 0.411 Chirality : 0.048 0.161 19800 Planarity : 0.006 0.055 22920 Dihedral : 7.594 40.113 18124 Min Nonbonded Distance : 2.289 Molprobity Statistics. All-atom Clashscore : 2.38 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.34 % Favored : 94.66 % Rotamer: Outliers : 3.03 % Allowed : 26.01 % Favored : 70.95 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.19 (0.06), residues: 15720 helix: 1.27 (0.07), residues: 4800 sheet: -0.63 (0.10), residues: 2820 loop : -2.24 (0.06), residues: 8100 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.008 0.002 TRP C 16 HIS 0.004 0.002 HIS R 50 PHE 0.012 0.002 PHE k 36 TYR 0.007 0.002 TYR h 234 ARG 0.006 0.001 ARG A 208 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31440 Ramachandran restraints generated. 15720 Oldfield, 0 Emsley, 15720 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31440 Ramachandran restraints generated. 15720 Oldfield, 0 Emsley, 15720 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1147 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 426 poor density : 721 time to evaluate : 11.103 Fit side-chains REVERT: A 235 GLU cc_start: 0.8392 (OUTLIER) cc_final: 0.8130 (tt0) REVERT: B 192 LYS cc_start: 0.7440 (OUTLIER) cc_final: 0.6850 (mmpt) REVERT: C 24 ARG cc_start: 0.7877 (ttm110) cc_final: 0.7587 (ttp80) REVERT: C 133 SER cc_start: 0.8789 (OUTLIER) cc_final: 0.8521 (p) REVERT: D 93 GLU cc_start: 0.8330 (OUTLIER) cc_final: 0.6804 (mp0) REVERT: D 124 GLU cc_start: 0.7349 (OUTLIER) cc_final: 0.6974 (tm-30) REVERT: E 179 ASN cc_start: 0.7602 (OUTLIER) cc_final: 0.7222 (t0) REVERT: F 179 ASN cc_start: 0.7604 (OUTLIER) cc_final: 0.7229 (t0) REVERT: G 235 GLU cc_start: 0.8403 (OUTLIER) cc_final: 0.8140 (tt0) REVERT: H 192 LYS cc_start: 0.7483 (OUTLIER) cc_final: 0.6884 (mmpt) REVERT: I 24 ARG cc_start: 0.7880 (ttm110) cc_final: 0.7589 (ttp80) REVERT: I 133 SER cc_start: 0.8780 (OUTLIER) cc_final: 0.8513 (p) REVERT: J 93 GLU cc_start: 0.8332 (OUTLIER) cc_final: 0.6805 (mp0) REVERT: J 124 GLU cc_start: 0.7366 (OUTLIER) cc_final: 0.6993 (tm-30) REVERT: K 93 GLU cc_start: 0.8325 (OUTLIER) cc_final: 0.6785 (mp0) REVERT: K 124 GLU cc_start: 0.7365 (OUTLIER) cc_final: 0.6999 (tm-30) REVERT: L 179 ASN cc_start: 0.7606 (OUTLIER) cc_final: 0.7227 (t0) REVERT: M 235 GLU cc_start: 0.8390 (OUTLIER) cc_final: 0.8125 (tt0) REVERT: N 192 LYS cc_start: 0.7445 (OUTLIER) cc_final: 0.6862 (mmpt) REVERT: O 24 ARG cc_start: 0.7879 (ttm110) cc_final: 0.7592 (ttp80) REVERT: O 133 SER cc_start: 0.8781 (OUTLIER) cc_final: 0.8513 (p) REVERT: P 24 ARG cc_start: 0.7880 (ttm110) cc_final: 0.7590 (ttp80) REVERT: P 133 SER cc_start: 0.8784 (OUTLIER) cc_final: 0.8514 (p) REVERT: Q 93 GLU cc_start: 0.8322 (OUTLIER) cc_final: 0.6782 (mp0) REVERT: Q 124 GLU cc_start: 0.7367 (OUTLIER) cc_final: 0.6998 (tm-30) REVERT: R 179 ASN cc_start: 0.7609 (OUTLIER) cc_final: 0.7231 (t0) REVERT: S 235 GLU cc_start: 0.8391 (OUTLIER) cc_final: 0.8126 (tt0) REVERT: T 192 LYS cc_start: 0.7442 (OUTLIER) cc_final: 0.6852 (mmpt) REVERT: U 179 ASN cc_start: 0.7612 (OUTLIER) cc_final: 0.7236 (t0) REVERT: V 235 GLU cc_start: 0.8395 (OUTLIER) cc_final: 0.8133 (tt0) REVERT: W 192 LYS cc_start: 0.7418 (OUTLIER) cc_final: 0.6914 (mmpt) REVERT: X 24 ARG cc_start: 0.7877 (ttm110) cc_final: 0.7586 (ttp80) REVERT: X 133 SER cc_start: 0.8784 (OUTLIER) cc_final: 0.8513 (p) REVERT: Y 93 GLU cc_start: 0.8337 (OUTLIER) cc_final: 0.6813 (mp0) REVERT: Y 124 GLU cc_start: 0.7372 (OUTLIER) cc_final: 0.6997 (tm-30) REVERT: Z 235 GLU cc_start: 0.8391 (OUTLIER) cc_final: 0.8126 (tt0) REVERT: 0 192 LYS cc_start: 0.7426 (OUTLIER) cc_final: 0.6917 (mmpt) REVERT: 1 24 ARG cc_start: 0.7880 (ttm110) cc_final: 0.7595 (ttp80) REVERT: 1 133 SER cc_start: 0.8785 (OUTLIER) cc_final: 0.8513 (p) REVERT: 2 93 GLU cc_start: 0.8336 (OUTLIER) cc_final: 0.6811 (mp0) REVERT: 2 124 GLU cc_start: 0.7368 (OUTLIER) cc_final: 0.6998 (tm-30) REVERT: 3 179 ASN cc_start: 0.7608 (OUTLIER) cc_final: 0.7230 (t0) REVERT: 4 24 ARG cc_start: 0.7878 (ttm110) cc_final: 0.7586 (ttp80) REVERT: 4 133 SER cc_start: 0.8778 (OUTLIER) cc_final: 0.8509 (p) REVERT: 5 93 GLU cc_start: 0.8331 (OUTLIER) cc_final: 0.6802 (mp0) REVERT: 5 124 GLU cc_start: 0.7366 (OUTLIER) cc_final: 0.7000 (tm-30) REVERT: 6 179 ASN cc_start: 0.7603 (OUTLIER) cc_final: 0.7228 (t0) REVERT: 7 235 GLU cc_start: 0.8394 (OUTLIER) cc_final: 0.8133 (tt0) REVERT: 8 192 LYS cc_start: 0.7438 (OUTLIER) cc_final: 0.6860 (mmpt) REVERT: 9 93 GLU cc_start: 0.8332 (OUTLIER) cc_final: 0.6806 (mp0) REVERT: 9 124 GLU cc_start: 0.7329 (OUTLIER) cc_final: 0.6949 (tm-30) REVERT: a 179 ASN cc_start: 0.7604 (OUTLIER) cc_final: 0.7229 (t0) REVERT: b 235 GLU cc_start: 0.8395 (OUTLIER) cc_final: 0.8130 (tt0) REVERT: c 192 LYS cc_start: 0.7432 (OUTLIER) cc_final: 0.6845 (mmpt) REVERT: d 24 ARG cc_start: 0.7808 (ttm110) cc_final: 0.7323 (ttm110) REVERT: d 133 SER cc_start: 0.8784 (OUTLIER) cc_final: 0.8515 (p) REVERT: e 24 ARG cc_start: 0.7876 (ttm110) cc_final: 0.7588 (ttp80) REVERT: e 133 SER cc_start: 0.8789 (OUTLIER) cc_final: 0.8517 (p) REVERT: f 93 GLU cc_start: 0.8332 (OUTLIER) cc_final: 0.6809 (mp0) REVERT: f 124 GLU cc_start: 0.7347 (OUTLIER) cc_final: 0.6974 (tm-30) REVERT: g 179 ASN cc_start: 0.7607 (OUTLIER) cc_final: 0.7229 (t0) REVERT: h 235 GLU cc_start: 0.8392 (OUTLIER) cc_final: 0.8128 (tt0) REVERT: i 192 LYS cc_start: 0.7437 (OUTLIER) cc_final: 0.6856 (mmpt) REVERT: j 93 GLU cc_start: 0.8336 (OUTLIER) cc_final: 0.6809 (mp0) REVERT: j 124 GLU cc_start: 0.7369 (OUTLIER) cc_final: 0.6997 (tm-30) REVERT: k 179 ASN cc_start: 0.7605 (OUTLIER) cc_final: 0.7230 (t0) REVERT: l 235 GLU cc_start: 0.8394 (OUTLIER) cc_final: 0.8133 (tt0) REVERT: m 192 LYS cc_start: 0.7439 (OUTLIER) cc_final: 0.6856 (mmpt) REVERT: n 24 ARG cc_start: 0.7880 (ttm110) cc_final: 0.7587 (ttp80) REVERT: n 133 SER cc_start: 0.8785 (OUTLIER) cc_final: 0.8511 (p) REVERT: o 179 ASN cc_start: 0.7604 (OUTLIER) cc_final: 0.7226 (t0) REVERT: p 235 GLU cc_start: 0.8394 (OUTLIER) cc_final: 0.8129 (tt0) REVERT: q 192 LYS cc_start: 0.7431 (OUTLIER) cc_final: 0.6852 (mmpt) REVERT: r 24 ARG cc_start: 0.7879 (ttm110) cc_final: 0.7588 (ttp80) REVERT: r 133 SER cc_start: 0.8790 (OUTLIER) cc_final: 0.8518 (p) REVERT: r 193 ARG cc_start: 0.6732 (OUTLIER) cc_final: 0.6100 (mmt90) REVERT: s 93 GLU cc_start: 0.8320 (OUTLIER) cc_final: 0.6788 (mp0) REVERT: s 124 GLU cc_start: 0.7348 (OUTLIER) cc_final: 0.6971 (tm-30) REVERT: t 235 GLU cc_start: 0.8394 (OUTLIER) cc_final: 0.8131 (tt0) REVERT: u 192 LYS cc_start: 0.7439 (OUTLIER) cc_final: 0.6856 (mmpt) REVERT: v 24 ARG cc_start: 0.7878 (ttm110) cc_final: 0.7588 (ttp80) REVERT: v 133 SER cc_start: 0.8787 (OUTLIER) cc_final: 0.8511 (p) REVERT: v 193 ARG cc_start: 0.6724 (OUTLIER) cc_final: 0.6100 (mmt90) REVERT: w 93 GLU cc_start: 0.8337 (OUTLIER) cc_final: 0.6812 (mp0) REVERT: w 124 GLU cc_start: 0.7368 (OUTLIER) cc_final: 0.6996 (tm-30) REVERT: x 179 ASN cc_start: 0.7608 (OUTLIER) cc_final: 0.7235 (t0) outliers start: 426 outliers final: 226 residues processed: 1048 average time/residue: 2.2928 time to fit residues: 3201.4345 Evaluate side-chains 990 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 300 poor density : 690 time to evaluate : 10.097 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 75 LEU Chi-restraints excluded: chain A residue 178 ILE Chi-restraints excluded: chain A residue 235 GLU Chi-restraints excluded: chain A residue 254 VAL Chi-restraints excluded: chain A residue 260 LEU Chi-restraints excluded: chain B residue 192 LYS Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 254 VAL Chi-restraints excluded: chain B residue 260 LEU Chi-restraints excluded: chain C residue 62 ASN Chi-restraints excluded: chain C residue 133 SER Chi-restraints excluded: chain C residue 156 LEU Chi-restraints excluded: chain C residue 159 PHE Chi-restraints excluded: chain C residue 249 THR Chi-restraints excluded: chain C residue 254 VAL Chi-restraints excluded: chain D residue 93 GLU Chi-restraints excluded: chain D residue 124 GLU Chi-restraints excluded: chain D residue 193 ARG Chi-restraints excluded: chain D residue 254 VAL Chi-restraints excluded: chain D residue 260 LEU Chi-restraints excluded: chain E residue 75 LEU Chi-restraints excluded: chain E residue 178 ILE Chi-restraints excluded: chain E residue 179 ASN Chi-restraints excluded: chain E residue 193 ARG Chi-restraints excluded: chain E residue 254 VAL Chi-restraints excluded: chain F residue 75 LEU Chi-restraints excluded: chain F residue 178 ILE Chi-restraints excluded: chain F residue 179 ASN Chi-restraints excluded: chain F residue 193 ARG Chi-restraints excluded: chain F residue 254 VAL Chi-restraints excluded: chain G residue 75 LEU Chi-restraints excluded: chain G residue 178 ILE Chi-restraints excluded: chain G residue 235 GLU Chi-restraints excluded: chain G residue 254 VAL Chi-restraints excluded: chain G residue 260 LEU Chi-restraints excluded: chain H residue 192 LYS Chi-restraints excluded: chain H residue 210 GLU Chi-restraints excluded: chain H residue 254 VAL Chi-restraints excluded: chain H residue 260 LEU Chi-restraints excluded: chain I residue 62 ASN Chi-restraints excluded: chain I residue 133 SER Chi-restraints excluded: chain I residue 156 LEU Chi-restraints excluded: chain I residue 159 PHE Chi-restraints excluded: chain I residue 249 THR Chi-restraints excluded: chain I residue 254 VAL Chi-restraints excluded: chain J residue 93 GLU Chi-restraints excluded: chain J residue 124 GLU Chi-restraints excluded: chain J residue 193 ARG Chi-restraints excluded: chain J residue 254 VAL Chi-restraints excluded: chain J residue 260 LEU Chi-restraints excluded: chain K residue 93 GLU Chi-restraints excluded: chain K residue 124 GLU Chi-restraints excluded: chain K residue 193 ARG Chi-restraints excluded: chain K residue 254 VAL Chi-restraints excluded: chain K residue 260 LEU Chi-restraints excluded: chain L residue 75 LEU Chi-restraints excluded: chain L residue 178 ILE Chi-restraints excluded: chain L residue 179 ASN Chi-restraints excluded: chain L residue 193 ARG Chi-restraints excluded: chain L residue 254 VAL Chi-restraints excluded: chain M residue 75 LEU Chi-restraints excluded: chain M residue 178 ILE Chi-restraints excluded: chain M residue 235 GLU Chi-restraints excluded: chain M residue 254 VAL Chi-restraints excluded: chain M residue 260 LEU Chi-restraints excluded: chain N residue 192 LYS Chi-restraints excluded: chain N residue 210 GLU Chi-restraints excluded: chain N residue 254 VAL Chi-restraints excluded: chain N residue 260 LEU Chi-restraints excluded: chain O residue 62 ASN Chi-restraints excluded: chain O residue 133 SER Chi-restraints excluded: chain O residue 156 LEU Chi-restraints excluded: chain O residue 159 PHE Chi-restraints excluded: chain O residue 249 THR Chi-restraints excluded: chain O residue 254 VAL Chi-restraints excluded: chain P residue 62 ASN Chi-restraints excluded: chain P residue 133 SER Chi-restraints excluded: chain P residue 156 LEU Chi-restraints excluded: chain P residue 159 PHE Chi-restraints excluded: chain P residue 249 THR Chi-restraints excluded: chain P residue 254 VAL Chi-restraints excluded: chain Q residue 93 GLU Chi-restraints excluded: chain Q residue 124 GLU Chi-restraints excluded: chain Q residue 193 ARG Chi-restraints excluded: chain Q residue 254 VAL Chi-restraints excluded: chain Q residue 260 LEU Chi-restraints excluded: chain R residue 75 LEU Chi-restraints excluded: chain R residue 178 ILE Chi-restraints excluded: chain R residue 179 ASN Chi-restraints excluded: chain R residue 193 ARG Chi-restraints excluded: chain R residue 254 VAL Chi-restraints excluded: chain S residue 75 LEU Chi-restraints excluded: chain S residue 178 ILE Chi-restraints excluded: chain S residue 235 GLU Chi-restraints excluded: chain S residue 254 VAL Chi-restraints excluded: chain T residue 192 LYS Chi-restraints excluded: chain T residue 210 GLU Chi-restraints excluded: chain T residue 254 VAL Chi-restraints excluded: chain T residue 260 LEU Chi-restraints excluded: chain U residue 75 LEU Chi-restraints excluded: chain U residue 178 ILE Chi-restraints excluded: chain U residue 179 ASN Chi-restraints excluded: chain U residue 193 ARG Chi-restraints excluded: chain U residue 254 VAL Chi-restraints excluded: chain V residue 75 LEU Chi-restraints excluded: chain V residue 178 ILE Chi-restraints excluded: chain V residue 235 GLU Chi-restraints excluded: chain V residue 254 VAL Chi-restraints excluded: chain V residue 260 LEU Chi-restraints excluded: chain W residue 192 LYS Chi-restraints excluded: chain W residue 210 GLU Chi-restraints excluded: chain W residue 254 VAL Chi-restraints excluded: chain W residue 260 LEU Chi-restraints excluded: chain X residue 62 ASN Chi-restraints excluded: chain X residue 133 SER Chi-restraints excluded: chain X residue 156 LEU Chi-restraints excluded: chain X residue 159 PHE Chi-restraints excluded: chain X residue 249 THR Chi-restraints excluded: chain X residue 254 VAL Chi-restraints excluded: chain Y residue 93 GLU Chi-restraints excluded: chain Y residue 124 GLU Chi-restraints excluded: chain Y residue 193 ARG Chi-restraints excluded: chain Y residue 254 VAL Chi-restraints excluded: chain Y residue 260 LEU Chi-restraints excluded: chain Z residue 75 LEU Chi-restraints excluded: chain Z residue 178 ILE Chi-restraints excluded: chain Z residue 235 GLU Chi-restraints excluded: chain Z residue 254 VAL Chi-restraints excluded: chain 0 residue 192 LYS Chi-restraints excluded: chain 0 residue 210 GLU Chi-restraints excluded: chain 0 residue 254 VAL Chi-restraints excluded: chain 0 residue 260 LEU Chi-restraints excluded: chain 1 residue 62 ASN Chi-restraints excluded: chain 1 residue 133 SER Chi-restraints excluded: chain 1 residue 156 LEU Chi-restraints excluded: chain 1 residue 159 PHE Chi-restraints excluded: chain 1 residue 249 THR Chi-restraints excluded: chain 1 residue 254 VAL Chi-restraints excluded: chain 1 residue 264 LYS Chi-restraints excluded: chain 2 residue 93 GLU Chi-restraints excluded: chain 2 residue 124 GLU Chi-restraints excluded: chain 2 residue 193 ARG Chi-restraints excluded: chain 2 residue 254 VAL Chi-restraints excluded: chain 2 residue 260 LEU Chi-restraints excluded: chain 3 residue 75 LEU Chi-restraints excluded: chain 3 residue 178 ILE Chi-restraints excluded: chain 3 residue 179 ASN Chi-restraints excluded: chain 3 residue 193 ARG Chi-restraints excluded: chain 3 residue 254 VAL Chi-restraints excluded: chain 4 residue 62 ASN Chi-restraints excluded: chain 4 residue 133 SER Chi-restraints excluded: chain 4 residue 156 LEU Chi-restraints excluded: chain 4 residue 159 PHE Chi-restraints excluded: chain 4 residue 249 THR Chi-restraints excluded: chain 4 residue 254 VAL Chi-restraints excluded: chain 5 residue 93 GLU Chi-restraints excluded: chain 5 residue 124 GLU Chi-restraints excluded: chain 5 residue 193 ARG Chi-restraints excluded: chain 5 residue 254 VAL Chi-restraints excluded: chain 5 residue 260 LEU Chi-restraints excluded: chain 6 residue 75 LEU Chi-restraints excluded: chain 6 residue 178 ILE Chi-restraints excluded: chain 6 residue 179 ASN Chi-restraints excluded: chain 6 residue 193 ARG Chi-restraints excluded: chain 6 residue 254 VAL Chi-restraints excluded: chain 7 residue 75 LEU Chi-restraints excluded: chain 7 residue 178 ILE Chi-restraints excluded: chain 7 residue 235 GLU Chi-restraints excluded: chain 7 residue 254 VAL Chi-restraints excluded: chain 7 residue 260 LEU Chi-restraints excluded: chain 8 residue 192 LYS Chi-restraints excluded: chain 8 residue 210 GLU Chi-restraints excluded: chain 8 residue 254 VAL Chi-restraints excluded: chain 8 residue 260 LEU Chi-restraints excluded: chain 9 residue 93 GLU Chi-restraints excluded: chain 9 residue 124 GLU Chi-restraints excluded: chain 9 residue 193 ARG Chi-restraints excluded: chain 9 residue 254 VAL Chi-restraints excluded: chain 9 residue 260 LEU Chi-restraints excluded: chain a residue 75 LEU Chi-restraints excluded: chain a residue 178 ILE Chi-restraints excluded: chain a residue 179 ASN Chi-restraints excluded: chain a residue 193 ARG Chi-restraints excluded: chain a residue 254 VAL Chi-restraints excluded: chain b residue 75 LEU Chi-restraints excluded: chain b residue 178 ILE Chi-restraints excluded: chain b residue 235 GLU Chi-restraints excluded: chain b residue 254 VAL Chi-restraints excluded: chain b residue 260 LEU Chi-restraints excluded: chain c residue 192 LYS Chi-restraints excluded: chain c residue 210 GLU Chi-restraints excluded: chain c residue 254 VAL Chi-restraints excluded: chain c residue 260 LEU Chi-restraints excluded: chain d residue 62 ASN Chi-restraints excluded: chain d residue 133 SER Chi-restraints excluded: chain d residue 156 LEU Chi-restraints excluded: chain d residue 159 PHE Chi-restraints excluded: chain d residue 249 THR Chi-restraints excluded: chain d residue 254 VAL Chi-restraints excluded: chain e residue 62 ASN Chi-restraints excluded: chain e residue 133 SER Chi-restraints excluded: chain e residue 156 LEU Chi-restraints excluded: chain e residue 159 PHE Chi-restraints excluded: chain e residue 249 THR Chi-restraints excluded: chain e residue 254 VAL Chi-restraints excluded: chain f residue 93 GLU Chi-restraints excluded: chain f residue 124 GLU Chi-restraints excluded: chain f residue 193 ARG Chi-restraints excluded: chain f residue 254 VAL Chi-restraints excluded: chain f residue 260 LEU Chi-restraints excluded: chain g residue 75 LEU Chi-restraints excluded: chain g residue 178 ILE Chi-restraints excluded: chain g residue 179 ASN Chi-restraints excluded: chain g residue 193 ARG Chi-restraints excluded: chain g residue 254 VAL Chi-restraints excluded: chain h residue 75 LEU Chi-restraints excluded: chain h residue 178 ILE Chi-restraints excluded: chain h residue 235 GLU Chi-restraints excluded: chain h residue 254 VAL Chi-restraints excluded: chain h residue 260 LEU Chi-restraints excluded: chain i residue 192 LYS Chi-restraints excluded: chain i residue 210 GLU Chi-restraints excluded: chain i residue 254 VAL Chi-restraints excluded: chain i residue 260 LEU Chi-restraints excluded: chain j residue 93 GLU Chi-restraints excluded: chain j residue 124 GLU Chi-restraints excluded: chain j residue 193 ARG Chi-restraints excluded: chain j residue 254 VAL Chi-restraints excluded: chain j residue 260 LEU Chi-restraints excluded: chain k residue 75 LEU Chi-restraints excluded: chain k residue 178 ILE Chi-restraints excluded: chain k residue 179 ASN Chi-restraints excluded: chain k residue 193 ARG Chi-restraints excluded: chain k residue 254 VAL Chi-restraints excluded: chain l residue 75 LEU Chi-restraints excluded: chain l residue 178 ILE Chi-restraints excluded: chain l residue 235 GLU Chi-restraints excluded: chain l residue 254 VAL Chi-restraints excluded: chain m residue 192 LYS Chi-restraints excluded: chain m residue 210 GLU Chi-restraints excluded: chain m residue 254 VAL Chi-restraints excluded: chain m residue 260 LEU Chi-restraints excluded: chain n residue 62 ASN Chi-restraints excluded: chain n residue 133 SER Chi-restraints excluded: chain n residue 156 LEU Chi-restraints excluded: chain n residue 159 PHE Chi-restraints excluded: chain n residue 249 THR Chi-restraints excluded: chain n residue 254 VAL Chi-restraints excluded: chain o residue 75 LEU Chi-restraints excluded: chain o residue 178 ILE Chi-restraints excluded: chain o residue 179 ASN Chi-restraints excluded: chain o residue 193 ARG Chi-restraints excluded: chain o residue 254 VAL Chi-restraints excluded: chain p residue 75 LEU Chi-restraints excluded: chain p residue 178 ILE Chi-restraints excluded: chain p residue 235 GLU Chi-restraints excluded: chain p residue 254 VAL Chi-restraints excluded: chain p residue 260 LEU Chi-restraints excluded: chain q residue 192 LYS Chi-restraints excluded: chain q residue 210 GLU Chi-restraints excluded: chain q residue 254 VAL Chi-restraints excluded: chain q residue 260 LEU Chi-restraints excluded: chain r residue 62 ASN Chi-restraints excluded: chain r residue 133 SER Chi-restraints excluded: chain r residue 156 LEU Chi-restraints excluded: chain r residue 159 PHE Chi-restraints excluded: chain r residue 193 ARG Chi-restraints excluded: chain r residue 249 THR Chi-restraints excluded: chain r residue 254 VAL Chi-restraints excluded: chain s residue 93 GLU Chi-restraints excluded: chain s residue 124 GLU Chi-restraints excluded: chain s residue 193 ARG Chi-restraints excluded: chain s residue 254 VAL Chi-restraints excluded: chain s residue 260 LEU Chi-restraints excluded: chain t residue 75 LEU Chi-restraints excluded: chain t residue 178 ILE Chi-restraints excluded: chain t residue 235 GLU Chi-restraints excluded: chain t residue 254 VAL Chi-restraints excluded: chain t residue 260 LEU Chi-restraints excluded: chain u residue 192 LYS Chi-restraints excluded: chain u residue 210 GLU Chi-restraints excluded: chain u residue 254 VAL Chi-restraints excluded: chain u residue 260 LEU Chi-restraints excluded: chain v residue 62 ASN Chi-restraints excluded: chain v residue 133 SER Chi-restraints excluded: chain v residue 156 LEU Chi-restraints excluded: chain v residue 159 PHE Chi-restraints excluded: chain v residue 193 ARG Chi-restraints excluded: chain v residue 249 THR Chi-restraints excluded: chain v residue 254 VAL Chi-restraints excluded: chain w residue 93 GLU Chi-restraints excluded: chain w residue 124 GLU Chi-restraints excluded: chain w residue 193 ARG Chi-restraints excluded: chain w residue 254 VAL Chi-restraints excluded: chain w residue 260 LEU Chi-restraints excluded: chain x residue 75 LEU Chi-restraints excluded: chain x residue 178 ILE Chi-restraints excluded: chain x residue 179 ASN Chi-restraints excluded: chain x residue 193 ARG Chi-restraints excluded: chain x residue 254 VAL Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 1367 optimal weight: 7.9990 chunk 1440 optimal weight: 6.9990 chunk 1314 optimal weight: 0.8980 chunk 1401 optimal weight: 7.9990 chunk 843 optimal weight: 9.9990 chunk 610 optimal weight: 10.0000 chunk 1100 optimal weight: 3.9990 chunk 429 optimal weight: 7.9990 chunk 1266 optimal weight: 0.8980 chunk 1325 optimal weight: 0.9980 chunk 1396 optimal weight: 8.9990 overall best weight: 2.7584 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: r 173 ASN Total number of N/Q/H flips: 1 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8249 moved from start: 0.1737 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.024 132600 Z= 0.216 Angle : 0.621 6.117 179160 Z= 0.333 Chirality : 0.044 0.151 19800 Planarity : 0.006 0.055 22920 Dihedral : 7.004 36.672 18124 Min Nonbonded Distance : 2.339 Molprobity Statistics. All-atom Clashscore : 2.26 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.12 % Favored : 95.88 % Rotamer: Outliers : 2.57 % Allowed : 27.01 % Favored : 70.42 % 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: -0.99 (0.06), residues: 15720 helix: 1.51 (0.07), residues: 4800 sheet: 0.04 (0.10), residues: 2820 loop : -2.41 (0.06), residues: 8100 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.005 0.001 TRP U 45 HIS 0.004 0.002 HIS a 50 PHE 0.011 0.001 PHE g 36 TYR 0.006 0.001 TYR S 47 ARG 0.003 0.000 ARG A 208 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31440 Ramachandran restraints generated. 15720 Oldfield, 0 Emsley, 15720 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31440 Ramachandran restraints generated. 15720 Oldfield, 0 Emsley, 15720 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 948 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 361 poor density : 587 time to evaluate : 11.082 Fit side-chains REVERT: A 235 GLU cc_start: 0.8351 (OUTLIER) cc_final: 0.8081 (tt0) REVERT: B 192 LYS cc_start: 0.7475 (OUTLIER) cc_final: 0.6830 (mmpt) REVERT: B 229 ASP cc_start: 0.7389 (OUTLIER) cc_final: 0.6866 (m-30) REVERT: C 24 ARG cc_start: 0.7837 (ttm110) cc_final: 0.7557 (ttp80) REVERT: C 133 SER cc_start: 0.8782 (OUTLIER) cc_final: 0.8536 (p) REVERT: D 93 GLU cc_start: 0.8321 (OUTLIER) cc_final: 0.6841 (mp0) REVERT: D 124 GLU cc_start: 0.7316 (OUTLIER) cc_final: 0.6947 (tm-30) REVERT: E 93 GLU cc_start: 0.8397 (OUTLIER) cc_final: 0.7137 (mp0) REVERT: G 235 GLU cc_start: 0.8351 (OUTLIER) cc_final: 0.8080 (tt0) REVERT: H 192 LYS cc_start: 0.7449 (OUTLIER) cc_final: 0.6841 (mmpt) REVERT: H 229 ASP cc_start: 0.7390 (OUTLIER) cc_final: 0.6867 (m-30) REVERT: I 24 ARG cc_start: 0.7838 (ttm110) cc_final: 0.7559 (ttp80) REVERT: I 133 SER cc_start: 0.8778 (OUTLIER) cc_final: 0.8538 (p) REVERT: J 93 GLU cc_start: 0.8320 (OUTLIER) cc_final: 0.6835 (mp0) REVERT: J 124 GLU cc_start: 0.7314 (OUTLIER) cc_final: 0.6943 (tm-30) REVERT: K 93 GLU cc_start: 0.8342 (OUTLIER) cc_final: 0.6869 (mp0) REVERT: K 124 GLU cc_start: 0.7314 (OUTLIER) cc_final: 0.6948 (tm-30) REVERT: L 93 GLU cc_start: 0.8397 (OUTLIER) cc_final: 0.7204 (mp0) REVERT: M 235 GLU cc_start: 0.8354 (OUTLIER) cc_final: 0.8081 (tt0) REVERT: N 192 LYS cc_start: 0.7505 (OUTLIER) cc_final: 0.6856 (mmpt) REVERT: N 229 ASP cc_start: 0.7384 (OUTLIER) cc_final: 0.6859 (m-30) REVERT: O 24 ARG cc_start: 0.7838 (ttm110) cc_final: 0.7564 (ttp80) REVERT: O 133 SER cc_start: 0.8778 (OUTLIER) cc_final: 0.8541 (p) REVERT: P 24 ARG cc_start: 0.7840 (ttm110) cc_final: 0.7564 (ttp80) REVERT: P 133 SER cc_start: 0.8781 (OUTLIER) cc_final: 0.8542 (p) REVERT: Q 93 GLU cc_start: 0.8337 (OUTLIER) cc_final: 0.6865 (mp0) REVERT: Q 124 GLU cc_start: 0.7314 (OUTLIER) cc_final: 0.6947 (tm-30) REVERT: S 235 GLU cc_start: 0.8354 (OUTLIER) cc_final: 0.8080 (tt0) REVERT: T 192 LYS cc_start: 0.7483 (OUTLIER) cc_final: 0.6834 (mmpt) REVERT: T 229 ASP cc_start: 0.7389 (OUTLIER) cc_final: 0.6868 (m-30) REVERT: U 93 GLU cc_start: 0.8384 (OUTLIER) cc_final: 0.7177 (mp0) REVERT: V 235 GLU cc_start: 0.8355 (OUTLIER) cc_final: 0.8084 (tt0) REVERT: W 192 LYS cc_start: 0.7480 (OUTLIER) cc_final: 0.6842 (mmpt) REVERT: W 229 ASP cc_start: 0.7377 (OUTLIER) cc_final: 0.6853 (m-30) REVERT: X 24 ARG cc_start: 0.7834 (ttm110) cc_final: 0.7557 (ttp80) REVERT: X 133 SER cc_start: 0.8780 (OUTLIER) cc_final: 0.8540 (p) REVERT: Y 93 GLU cc_start: 0.8328 (OUTLIER) cc_final: 0.6843 (mp0) REVERT: Y 124 GLU cc_start: 0.7318 (OUTLIER) cc_final: 0.6949 (tm-30) REVERT: Z 235 GLU cc_start: 0.8354 (OUTLIER) cc_final: 0.8080 (tt0) REVERT: 0 192 LYS cc_start: 0.7487 (OUTLIER) cc_final: 0.6845 (mmpt) REVERT: 0 229 ASP cc_start: 0.7381 (OUTLIER) cc_final: 0.6857 (m-30) REVERT: 1 24 ARG cc_start: 0.7837 (ttm110) cc_final: 0.7563 (ttp80) REVERT: 1 133 SER cc_start: 0.8778 (OUTLIER) cc_final: 0.8538 (p) REVERT: 2 93 GLU cc_start: 0.8327 (OUTLIER) cc_final: 0.6839 (mp0) REVERT: 2 124 GLU cc_start: 0.7315 (OUTLIER) cc_final: 0.6945 (tm-30) REVERT: 3 93 GLU cc_start: 0.8390 (OUTLIER) cc_final: 0.7142 (mp0) REVERT: 4 24 ARG cc_start: 0.7836 (ttm110) cc_final: 0.7555 (ttp80) REVERT: 4 133 SER cc_start: 0.8777 (OUTLIER) cc_final: 0.8537 (p) REVERT: 5 93 GLU cc_start: 0.8321 (OUTLIER) cc_final: 0.6836 (mp0) REVERT: 5 124 GLU cc_start: 0.7313 (OUTLIER) cc_final: 0.6948 (tm-30) REVERT: 6 93 GLU cc_start: 0.8396 (OUTLIER) cc_final: 0.7196 (mp0) REVERT: 7 235 GLU cc_start: 0.8351 (OUTLIER) cc_final: 0.8083 (tt0) REVERT: 8 192 LYS cc_start: 0.7494 (OUTLIER) cc_final: 0.6851 (mmpt) REVERT: 8 229 ASP cc_start: 0.7382 (OUTLIER) cc_final: 0.6859 (m-30) REVERT: 9 93 GLU cc_start: 0.8322 (OUTLIER) cc_final: 0.6840 (mp0) REVERT: 9 124 GLU cc_start: 0.7317 (OUTLIER) cc_final: 0.6947 (tm-30) REVERT: b 235 GLU cc_start: 0.8355 (OUTLIER) cc_final: 0.8082 (tt0) REVERT: c 192 LYS cc_start: 0.7480 (OUTLIER) cc_final: 0.6840 (mmpt) REVERT: c 229 ASP cc_start: 0.7381 (OUTLIER) cc_final: 0.6857 (m-30) REVERT: d 24 ARG cc_start: 0.7754 (ttm110) cc_final: 0.7249 (ttm110) REVERT: d 133 SER cc_start: 0.8779 (OUTLIER) cc_final: 0.8540 (p) REVERT: e 24 ARG cc_start: 0.7837 (ttm110) cc_final: 0.7556 (ttp80) REVERT: e 133 SER cc_start: 0.8785 (OUTLIER) cc_final: 0.8543 (p) REVERT: f 93 GLU cc_start: 0.8322 (OUTLIER) cc_final: 0.6840 (mp0) REVERT: f 124 GLU cc_start: 0.7313 (OUTLIER) cc_final: 0.6949 (tm-30) REVERT: h 235 GLU cc_start: 0.8355 (OUTLIER) cc_final: 0.8083 (tt0) REVERT: i 192 LYS cc_start: 0.7478 (OUTLIER) cc_final: 0.6840 (mmpt) REVERT: i 229 ASP cc_start: 0.7387 (OUTLIER) cc_final: 0.6866 (m-30) REVERT: j 93 GLU cc_start: 0.8326 (OUTLIER) cc_final: 0.6839 (mp0) REVERT: j 124 GLU cc_start: 0.7314 (OUTLIER) cc_final: 0.6944 (tm-30) REVERT: l 235 GLU cc_start: 0.8356 (OUTLIER) cc_final: 0.8085 (tt0) REVERT: m 192 LYS cc_start: 0.7479 (OUTLIER) cc_final: 0.6840 (mmpt) REVERT: m 229 ASP cc_start: 0.7376 (OUTLIER) cc_final: 0.6852 (m-30) REVERT: n 24 ARG cc_start: 0.7836 (ttm110) cc_final: 0.7559 (ttp80) REVERT: n 133 SER cc_start: 0.8780 (OUTLIER) cc_final: 0.8538 (p) REVERT: p 235 GLU cc_start: 0.8358 (OUTLIER) cc_final: 0.8085 (tt0) REVERT: q 192 LYS cc_start: 0.7488 (OUTLIER) cc_final: 0.6849 (mmpt) REVERT: q 229 ASP cc_start: 0.7382 (OUTLIER) cc_final: 0.6855 (m-30) REVERT: r 24 ARG cc_start: 0.7837 (ttm110) cc_final: 0.7557 (ttp80) REVERT: r 133 SER cc_start: 0.8786 (OUTLIER) cc_final: 0.8544 (p) REVERT: r 193 ARG cc_start: 0.6661 (OUTLIER) cc_final: 0.6001 (mmt90) REVERT: s 93 GLU cc_start: 0.8337 (OUTLIER) cc_final: 0.6867 (mp0) REVERT: s 124 GLU cc_start: 0.7310 (OUTLIER) cc_final: 0.6946 (tm-30) REVERT: t 235 GLU cc_start: 0.8355 (OUTLIER) cc_final: 0.8083 (tt0) REVERT: u 192 LYS cc_start: 0.7478 (OUTLIER) cc_final: 0.6837 (mmpt) REVERT: u 229 ASP cc_start: 0.7379 (OUTLIER) cc_final: 0.6854 (m-30) REVERT: v 24 ARG cc_start: 0.7834 (ttm110) cc_final: 0.7560 (ttp80) REVERT: v 133 SER cc_start: 0.8780 (OUTLIER) cc_final: 0.8537 (p) REVERT: v 193 ARG cc_start: 0.6679 (OUTLIER) cc_final: 0.6028 (mmt90) REVERT: w 93 GLU cc_start: 0.8327 (OUTLIER) cc_final: 0.6841 (mp0) REVERT: w 124 GLU cc_start: 0.7311 (OUTLIER) cc_final: 0.6941 (tm-30) outliers start: 361 outliers final: 241 residues processed: 886 average time/residue: 2.3723 time to fit residues: 2788.5613 Evaluate side-chains 911 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 320 poor density : 591 time to evaluate : 11.004 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 75 LEU Chi-restraints excluded: chain A residue 235 GLU Chi-restraints excluded: chain A residue 254 VAL Chi-restraints excluded: chain A residue 260 LEU Chi-restraints excluded: chain B residue 192 LYS Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 229 ASP Chi-restraints excluded: chain B residue 254 VAL Chi-restraints excluded: chain B residue 260 LEU Chi-restraints excluded: chain C residue 62 ASN Chi-restraints excluded: chain C residue 133 SER Chi-restraints excluded: chain C residue 156 LEU Chi-restraints excluded: chain C residue 159 PHE Chi-restraints excluded: chain C residue 254 VAL Chi-restraints excluded: chain C residue 260 LEU Chi-restraints excluded: chain C residue 264 LYS Chi-restraints excluded: chain D residue 93 GLU Chi-restraints excluded: chain D residue 124 GLU Chi-restraints excluded: chain D residue 193 ARG Chi-restraints excluded: chain D residue 254 VAL Chi-restraints excluded: chain D residue 260 LEU Chi-restraints excluded: chain E residue 75 LEU Chi-restraints excluded: chain E residue 93 GLU Chi-restraints excluded: chain E residue 159 PHE Chi-restraints excluded: chain E residue 178 ILE Chi-restraints excluded: chain E residue 193 ARG Chi-restraints excluded: chain E residue 254 VAL Chi-restraints excluded: chain F residue 75 LEU Chi-restraints excluded: chain F residue 159 PHE Chi-restraints excluded: chain F residue 178 ILE Chi-restraints excluded: chain F residue 193 ARG Chi-restraints excluded: chain F residue 254 VAL Chi-restraints excluded: chain G residue 75 LEU Chi-restraints excluded: chain G residue 235 GLU Chi-restraints excluded: chain G residue 254 VAL Chi-restraints excluded: chain G residue 260 LEU Chi-restraints excluded: chain H residue 156 LEU Chi-restraints excluded: chain H residue 192 LYS Chi-restraints excluded: chain H residue 210 GLU Chi-restraints excluded: chain H residue 229 ASP Chi-restraints excluded: chain H residue 254 VAL Chi-restraints excluded: chain H residue 260 LEU Chi-restraints excluded: chain I residue 62 ASN Chi-restraints excluded: chain I residue 133 SER Chi-restraints excluded: chain I residue 156 LEU Chi-restraints excluded: chain I residue 159 PHE Chi-restraints excluded: chain I residue 254 VAL Chi-restraints excluded: chain I residue 260 LEU Chi-restraints excluded: chain I residue 264 LYS Chi-restraints excluded: chain J residue 93 GLU Chi-restraints excluded: chain J residue 124 GLU Chi-restraints excluded: chain J residue 193 ARG Chi-restraints excluded: chain J residue 254 VAL Chi-restraints excluded: chain J residue 260 LEU Chi-restraints excluded: chain K residue 93 GLU Chi-restraints excluded: chain K residue 124 GLU Chi-restraints excluded: chain K residue 193 ARG Chi-restraints excluded: chain K residue 254 VAL Chi-restraints excluded: chain K residue 260 LEU Chi-restraints excluded: chain L residue 75 LEU Chi-restraints excluded: chain L residue 93 GLU Chi-restraints excluded: chain L residue 159 PHE Chi-restraints excluded: chain L residue 178 ILE Chi-restraints excluded: chain L residue 193 ARG Chi-restraints excluded: chain L residue 254 VAL Chi-restraints excluded: chain M residue 75 LEU Chi-restraints excluded: chain M residue 235 GLU Chi-restraints excluded: chain M residue 254 VAL Chi-restraints excluded: chain M residue 260 LEU Chi-restraints excluded: chain N residue 192 LYS Chi-restraints excluded: chain N residue 210 GLU Chi-restraints excluded: chain N residue 229 ASP Chi-restraints excluded: chain N residue 254 VAL Chi-restraints excluded: chain N residue 260 LEU Chi-restraints excluded: chain O residue 62 ASN Chi-restraints excluded: chain O residue 133 SER Chi-restraints excluded: chain O residue 156 LEU Chi-restraints excluded: chain O residue 159 PHE Chi-restraints excluded: chain O residue 254 VAL Chi-restraints excluded: chain O residue 260 LEU Chi-restraints excluded: chain O residue 264 LYS Chi-restraints excluded: chain P residue 62 ASN Chi-restraints excluded: chain P residue 133 SER Chi-restraints excluded: chain P residue 156 LEU Chi-restraints excluded: chain P residue 159 PHE Chi-restraints excluded: chain P residue 254 VAL Chi-restraints excluded: chain P residue 260 LEU Chi-restraints excluded: chain P residue 264 LYS Chi-restraints excluded: chain Q residue 93 GLU Chi-restraints excluded: chain Q residue 124 GLU Chi-restraints excluded: chain Q residue 193 ARG Chi-restraints excluded: chain Q residue 254 VAL Chi-restraints excluded: chain Q residue 260 LEU Chi-restraints excluded: chain R residue 75 LEU Chi-restraints excluded: chain R residue 159 PHE Chi-restraints excluded: chain R residue 178 ILE Chi-restraints excluded: chain R residue 193 ARG Chi-restraints excluded: chain R residue 254 VAL Chi-restraints excluded: chain S residue 75 LEU Chi-restraints excluded: chain S residue 235 GLU Chi-restraints excluded: chain S residue 254 VAL Chi-restraints excluded: chain T residue 192 LYS Chi-restraints excluded: chain T residue 210 GLU Chi-restraints excluded: chain T residue 229 ASP Chi-restraints excluded: chain T residue 254 VAL Chi-restraints excluded: chain T residue 260 LEU Chi-restraints excluded: chain U residue 75 LEU Chi-restraints excluded: chain U residue 93 GLU Chi-restraints excluded: chain U residue 159 PHE Chi-restraints excluded: chain U residue 178 ILE Chi-restraints excluded: chain U residue 193 ARG Chi-restraints excluded: chain U residue 254 VAL Chi-restraints excluded: chain V residue 75 LEU Chi-restraints excluded: chain V residue 235 GLU Chi-restraints excluded: chain V residue 254 VAL Chi-restraints excluded: chain V residue 260 LEU Chi-restraints excluded: chain W residue 192 LYS Chi-restraints excluded: chain W residue 210 GLU Chi-restraints excluded: chain W residue 229 ASP Chi-restraints excluded: chain W residue 254 VAL Chi-restraints excluded: chain W residue 260 LEU Chi-restraints excluded: chain X residue 62 ASN Chi-restraints excluded: chain X residue 133 SER Chi-restraints excluded: chain X residue 156 LEU Chi-restraints excluded: chain X residue 159 PHE Chi-restraints excluded: chain X residue 254 VAL Chi-restraints excluded: chain X residue 260 LEU Chi-restraints excluded: chain X residue 264 LYS Chi-restraints excluded: chain Y residue 93 GLU Chi-restraints excluded: chain Y residue 124 GLU Chi-restraints excluded: chain Y residue 193 ARG Chi-restraints excluded: chain Y residue 254 VAL Chi-restraints excluded: chain Y residue 260 LEU Chi-restraints excluded: chain Z residue 75 LEU Chi-restraints excluded: chain Z residue 235 GLU Chi-restraints excluded: chain Z residue 254 VAL Chi-restraints excluded: chain 0 residue 156 LEU Chi-restraints excluded: chain 0 residue 192 LYS Chi-restraints excluded: chain 0 residue 210 GLU Chi-restraints excluded: chain 0 residue 229 ASP Chi-restraints excluded: chain 0 residue 254 VAL Chi-restraints excluded: chain 0 residue 260 LEU Chi-restraints excluded: chain 1 residue 62 ASN Chi-restraints excluded: chain 1 residue 133 SER Chi-restraints excluded: chain 1 residue 156 LEU Chi-restraints excluded: chain 1 residue 159 PHE Chi-restraints excluded: chain 1 residue 254 VAL Chi-restraints excluded: chain 1 residue 260 LEU Chi-restraints excluded: chain 1 residue 264 LYS Chi-restraints excluded: chain 2 residue 93 GLU Chi-restraints excluded: chain 2 residue 124 GLU Chi-restraints excluded: chain 2 residue 193 ARG Chi-restraints excluded: chain 2 residue 254 VAL Chi-restraints excluded: chain 2 residue 260 LEU Chi-restraints excluded: chain 3 residue 75 LEU Chi-restraints excluded: chain 3 residue 93 GLU Chi-restraints excluded: chain 3 residue 159 PHE Chi-restraints excluded: chain 3 residue 178 ILE Chi-restraints excluded: chain 3 residue 193 ARG Chi-restraints excluded: chain 3 residue 254 VAL Chi-restraints excluded: chain 4 residue 62 ASN Chi-restraints excluded: chain 4 residue 133 SER Chi-restraints excluded: chain 4 residue 156 LEU Chi-restraints excluded: chain 4 residue 159 PHE Chi-restraints excluded: chain 4 residue 254 VAL Chi-restraints excluded: chain 4 residue 264 LYS Chi-restraints excluded: chain 5 residue 93 GLU Chi-restraints excluded: chain 5 residue 124 GLU Chi-restraints excluded: chain 5 residue 193 ARG Chi-restraints excluded: chain 5 residue 254 VAL Chi-restraints excluded: chain 5 residue 260 LEU Chi-restraints excluded: chain 6 residue 75 LEU Chi-restraints excluded: chain 6 residue 93 GLU Chi-restraints excluded: chain 6 residue 159 PHE Chi-restraints excluded: chain 6 residue 178 ILE Chi-restraints excluded: chain 6 residue 193 ARG Chi-restraints excluded: chain 6 residue 254 VAL Chi-restraints excluded: chain 7 residue 75 LEU Chi-restraints excluded: chain 7 residue 235 GLU Chi-restraints excluded: chain 7 residue 254 VAL Chi-restraints excluded: chain 7 residue 260 LEU Chi-restraints excluded: chain 8 residue 156 LEU Chi-restraints excluded: chain 8 residue 192 LYS Chi-restraints excluded: chain 8 residue 210 GLU Chi-restraints excluded: chain 8 residue 229 ASP Chi-restraints excluded: chain 8 residue 254 VAL Chi-restraints excluded: chain 8 residue 260 LEU Chi-restraints excluded: chain 9 residue 93 GLU Chi-restraints excluded: chain 9 residue 124 GLU Chi-restraints excluded: chain 9 residue 193 ARG Chi-restraints excluded: chain 9 residue 254 VAL Chi-restraints excluded: chain 9 residue 260 LEU Chi-restraints excluded: chain a residue 75 LEU Chi-restraints excluded: chain a residue 159 PHE Chi-restraints excluded: chain a residue 178 ILE Chi-restraints excluded: chain a residue 193 ARG Chi-restraints excluded: chain a residue 254 VAL Chi-restraints excluded: chain b residue 75 LEU Chi-restraints excluded: chain b residue 178 ILE Chi-restraints excluded: chain b residue 235 GLU Chi-restraints excluded: chain b residue 254 VAL Chi-restraints excluded: chain b residue 260 LEU Chi-restraints excluded: chain c residue 156 LEU Chi-restraints excluded: chain c residue 192 LYS Chi-restraints excluded: chain c residue 210 GLU Chi-restraints excluded: chain c residue 229 ASP Chi-restraints excluded: chain c residue 254 VAL Chi-restraints excluded: chain c residue 260 LEU Chi-restraints excluded: chain d residue 62 ASN Chi-restraints excluded: chain d residue 133 SER Chi-restraints excluded: chain d residue 156 LEU Chi-restraints excluded: chain d residue 159 PHE Chi-restraints excluded: chain d residue 254 VAL Chi-restraints excluded: chain d residue 260 LEU Chi-restraints excluded: chain d residue 264 LYS Chi-restraints excluded: chain e residue 62 ASN Chi-restraints excluded: chain e residue 133 SER Chi-restraints excluded: chain e residue 156 LEU Chi-restraints excluded: chain e residue 159 PHE Chi-restraints excluded: chain e residue 254 VAL Chi-restraints excluded: chain e residue 260 LEU Chi-restraints excluded: chain e residue 264 LYS Chi-restraints excluded: chain f residue 93 GLU Chi-restraints excluded: chain f residue 124 GLU Chi-restraints excluded: chain f residue 193 ARG Chi-restraints excluded: chain f residue 254 VAL Chi-restraints excluded: chain f residue 260 LEU Chi-restraints excluded: chain g residue 75 LEU Chi-restraints excluded: chain g residue 159 PHE Chi-restraints excluded: chain g residue 178 ILE Chi-restraints excluded: chain g residue 193 ARG Chi-restraints excluded: chain g residue 254 VAL Chi-restraints excluded: chain h residue 75 LEU Chi-restraints excluded: chain h residue 235 GLU Chi-restraints excluded: chain h residue 254 VAL Chi-restraints excluded: chain h residue 260 LEU Chi-restraints excluded: chain i residue 192 LYS Chi-restraints excluded: chain i residue 210 GLU Chi-restraints excluded: chain i residue 229 ASP Chi-restraints excluded: chain i residue 254 VAL Chi-restraints excluded: chain i residue 260 LEU Chi-restraints excluded: chain j residue 93 GLU Chi-restraints excluded: chain j residue 124 GLU Chi-restraints excluded: chain j residue 193 ARG Chi-restraints excluded: chain j residue 254 VAL Chi-restraints excluded: chain j residue 260 LEU Chi-restraints excluded: chain k residue 75 LEU Chi-restraints excluded: chain k residue 159 PHE Chi-restraints excluded: chain k residue 178 ILE Chi-restraints excluded: chain k residue 193 ARG Chi-restraints excluded: chain k residue 254 VAL Chi-restraints excluded: chain l residue 75 LEU Chi-restraints excluded: chain l residue 235 GLU Chi-restraints excluded: chain l residue 254 VAL Chi-restraints excluded: chain m residue 192 LYS Chi-restraints excluded: chain m residue 210 GLU Chi-restraints excluded: chain m residue 229 ASP Chi-restraints excluded: chain m residue 254 VAL Chi-restraints excluded: chain m residue 260 LEU Chi-restraints excluded: chain n residue 62 ASN Chi-restraints excluded: chain n residue 133 SER Chi-restraints excluded: chain n residue 156 LEU Chi-restraints excluded: chain n residue 159 PHE Chi-restraints excluded: chain n residue 254 VAL Chi-restraints excluded: chain n residue 260 LEU Chi-restraints excluded: chain n residue 264 LYS Chi-restraints excluded: chain o residue 75 LEU Chi-restraints excluded: chain o residue 159 PHE Chi-restraints excluded: chain o residue 178 ILE Chi-restraints excluded: chain o residue 193 ARG Chi-restraints excluded: chain o residue 254 VAL Chi-restraints excluded: chain p residue 75 LEU Chi-restraints excluded: chain p residue 235 GLU Chi-restraints excluded: chain p residue 254 VAL Chi-restraints excluded: chain p residue 260 LEU Chi-restraints excluded: chain q residue 192 LYS Chi-restraints excluded: chain q residue 210 GLU Chi-restraints excluded: chain q residue 229 ASP Chi-restraints excluded: chain q residue 254 VAL Chi-restraints excluded: chain q residue 260 LEU Chi-restraints excluded: chain r residue 62 ASN Chi-restraints excluded: chain r residue 133 SER Chi-restraints excluded: chain r residue 156 LEU Chi-restraints excluded: chain r residue 159 PHE Chi-restraints excluded: chain r residue 193 ARG Chi-restraints excluded: chain r residue 254 VAL Chi-restraints excluded: chain r residue 260 LEU Chi-restraints excluded: chain r residue 264 LYS Chi-restraints excluded: chain s residue 93 GLU Chi-restraints excluded: chain s residue 124 GLU Chi-restraints excluded: chain s residue 193 ARG Chi-restraints excluded: chain s residue 254 VAL Chi-restraints excluded: chain s residue 260 LEU Chi-restraints excluded: chain t residue 75 LEU Chi-restraints excluded: chain t residue 235 GLU Chi-restraints excluded: chain t residue 254 VAL Chi-restraints excluded: chain t residue 260 LEU Chi-restraints excluded: chain u residue 192 LYS Chi-restraints excluded: chain u residue 210 GLU Chi-restraints excluded: chain u residue 229 ASP Chi-restraints excluded: chain u residue 254 VAL Chi-restraints excluded: chain u residue 260 LEU Chi-restraints excluded: chain v residue 62 ASN Chi-restraints excluded: chain v residue 133 SER Chi-restraints excluded: chain v residue 156 LEU Chi-restraints excluded: chain v residue 159 PHE Chi-restraints excluded: chain v residue 193 ARG Chi-restraints excluded: chain v residue 254 VAL Chi-restraints excluded: chain v residue 260 LEU Chi-restraints excluded: chain v residue 264 LYS Chi-restraints excluded: chain w residue 93 GLU Chi-restraints excluded: chain w residue 124 GLU Chi-restraints excluded: chain w residue 193 ARG Chi-restraints excluded: chain w residue 254 VAL Chi-restraints excluded: chain w residue 260 LEU Chi-restraints excluded: chain x residue 75 LEU Chi-restraints excluded: chain x residue 159 PHE Chi-restraints excluded: chain x residue 178 ILE Chi-restraints excluded: chain x residue 193 ARG Chi-restraints excluded: chain x residue 254 VAL Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 920 optimal weight: 3.9990 chunk 1481 optimal weight: 2.9990 chunk 904 optimal weight: 1.9990 chunk 702 optimal weight: 0.8980 chunk 1029 optimal weight: 3.9990 chunk 1554 optimal weight: 8.9990 chunk 1430 optimal weight: 4.9990 chunk 1237 optimal weight: 10.0000 chunk 128 optimal weight: 0.9990 chunk 955 optimal weight: 8.9990 chunk 758 optimal weight: 10.0000 overall best weight: 2.1788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8206 moved from start: 0.1899 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.022 132600 Z= 0.182 Angle : 0.563 5.561 179160 Z= 0.303 Chirality : 0.043 0.152 19800 Planarity : 0.005 0.054 22920 Dihedral : 6.623 35.132 18124 Min Nonbonded Distance : 2.333 Molprobity Statistics. All-atom Clashscore : 2.35 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.23 % Favored : 95.77 % Rotamer: Outliers : 2.41 % Allowed : 27.11 % Favored : 70.48 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.80 (0.06), residues: 15720 helix: 1.76 (0.07), residues: 4800 sheet: -0.08 (0.09), residues: 3000 loop : -2.31 (0.06), residues: 7920 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.005 0.001 TRP k 45 HIS 0.003 0.001 HIS x 50 PHE 0.010 0.001 PHE e 36 TYR 0.006 0.001 TYR c 47 ARG 0.002 0.000 ARG l 208 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31440 Ramachandran restraints generated. 15720 Oldfield, 0 Emsley, 15720 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31440 Ramachandran restraints generated. 15720 Oldfield, 0 Emsley, 15720 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 919 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 339 poor density : 580 time to evaluate : 11.287 Fit side-chains REVERT: A 235 GLU cc_start: 0.8339 (OUTLIER) cc_final: 0.8071 (tt0) REVERT: B 229 ASP cc_start: 0.7367 (OUTLIER) cc_final: 0.6861 (m-30) REVERT: C 24 ARG cc_start: 0.7822 (ttm110) cc_final: 0.7545 (ttp80) REVERT: C 133 SER cc_start: 0.8785 (OUTLIER) cc_final: 0.8565 (p) REVERT: D 93 GLU cc_start: 0.8301 (OUTLIER) cc_final: 0.6802 (mp0) REVERT: D 124 GLU cc_start: 0.7275 (OUTLIER) cc_final: 0.6933 (tm-30) REVERT: F 93 GLU cc_start: 0.8382 (OUTLIER) cc_final: 0.7181 (mp0) REVERT: G 235 GLU cc_start: 0.8338 (OUTLIER) cc_final: 0.8069 (tt0) REVERT: H 192 LYS cc_start: 0.7484 (OUTLIER) cc_final: 0.6922 (mmpt) REVERT: H 229 ASP cc_start: 0.7367 (OUTLIER) cc_final: 0.6861 (m-30) REVERT: I 24 ARG cc_start: 0.7822 (ttm110) cc_final: 0.7544 (ttp80) REVERT: I 133 SER cc_start: 0.8782 (OUTLIER) cc_final: 0.8566 (p) REVERT: J 93 GLU cc_start: 0.8301 (OUTLIER) cc_final: 0.6801 (mp0) REVERT: J 124 GLU cc_start: 0.7275 (OUTLIER) cc_final: 0.6929 (tm-30) REVERT: K 93 GLU cc_start: 0.8311 (OUTLIER) cc_final: 0.6810 (mp0) REVERT: K 124 GLU cc_start: 0.7272 (OUTLIER) cc_final: 0.6932 (tm-30) REVERT: L 93 GLU cc_start: 0.8384 (OUTLIER) cc_final: 0.7193 (mp0) REVERT: M 235 GLU cc_start: 0.8340 (OUTLIER) cc_final: 0.8066 (tt0) REVERT: N 192 LYS cc_start: 0.7461 (OUTLIER) cc_final: 0.6906 (mmpt) REVERT: O 24 ARG cc_start: 0.7824 (ttm110) cc_final: 0.7551 (ttp80) REVERT: O 133 SER cc_start: 0.8782 (OUTLIER) cc_final: 0.8566 (p) REVERT: P 24 ARG cc_start: 0.7825 (ttm110) cc_final: 0.7551 (ttp80) REVERT: P 133 SER cc_start: 0.8784 (OUTLIER) cc_final: 0.8568 (p) REVERT: Q 93 GLU cc_start: 0.8307 (OUTLIER) cc_final: 0.6804 (mp0) REVERT: Q 124 GLU cc_start: 0.7257 (OUTLIER) cc_final: 0.6916 (tm-30) REVERT: R 93 GLU cc_start: 0.8385 (OUTLIER) cc_final: 0.7186 (mp0) REVERT: S 235 GLU cc_start: 0.8341 (OUTLIER) cc_final: 0.8069 (tt0) REVERT: T 229 ASP cc_start: 0.7375 (OUTLIER) cc_final: 0.6865 (m-30) REVERT: U 93 GLU cc_start: 0.8383 (OUTLIER) cc_final: 0.7180 (mp0) REVERT: V 235 GLU cc_start: 0.8343 (OUTLIER) cc_final: 0.8073 (tt0) REVERT: W 192 LYS cc_start: 0.7452 (OUTLIER) cc_final: 0.6818 (mmpt) REVERT: X 24 ARG cc_start: 0.7818 (ttm110) cc_final: 0.7541 (ttp80) REVERT: X 133 SER cc_start: 0.8783 (OUTLIER) cc_final: 0.8568 (p) REVERT: Y 93 GLU cc_start: 0.8310 (OUTLIER) cc_final: 0.6812 (mp0) REVERT: Y 124 GLU cc_start: 0.7279 (OUTLIER) cc_final: 0.6933 (tm-30) REVERT: Z 235 GLU cc_start: 0.8340 (OUTLIER) cc_final: 0.8068 (tt0) REVERT: 0 192 LYS cc_start: 0.7458 (OUTLIER) cc_final: 0.6820 (mmpt) REVERT: 1 24 ARG cc_start: 0.7823 (ttm110) cc_final: 0.7550 (ttp80) REVERT: 1 133 SER cc_start: 0.8781 (OUTLIER) cc_final: 0.8561 (p) REVERT: 2 93 GLU cc_start: 0.8308 (OUTLIER) cc_final: 0.6805 (mp0) REVERT: 2 124 GLU cc_start: 0.7256 (OUTLIER) cc_final: 0.6915 (tm-30) REVERT: 3 93 GLU cc_start: 0.8382 (OUTLIER) cc_final: 0.7185 (mp0) REVERT: 4 24 ARG cc_start: 0.7822 (ttm110) cc_final: 0.7542 (ttp80) REVERT: 4 133 SER cc_start: 0.8783 (OUTLIER) cc_final: 0.8559 (p) REVERT: 5 93 GLU cc_start: 0.8301 (OUTLIER) cc_final: 0.6798 (mp0) REVERT: 5 124 GLU cc_start: 0.7258 (OUTLIER) cc_final: 0.6920 (tm-30) REVERT: 7 235 GLU cc_start: 0.8339 (OUTLIER) cc_final: 0.8071 (tt0) REVERT: 8 192 LYS cc_start: 0.7454 (OUTLIER) cc_final: 0.6906 (mmpt) REVERT: 9 93 GLU cc_start: 0.8305 (OUTLIER) cc_final: 0.6808 (mp0) REVERT: 9 124 GLU cc_start: 0.7281 (OUTLIER) cc_final: 0.6934 (tm-30) REVERT: b 235 GLU cc_start: 0.8340 (OUTLIER) cc_final: 0.8069 (tt0) REVERT: c 192 LYS cc_start: 0.7452 (OUTLIER) cc_final: 0.6815 (mmpt) REVERT: d 24 ARG cc_start: 0.7733 (ttm110) cc_final: 0.7245 (ttm110) REVERT: d 133 SER cc_start: 0.8783 (OUTLIER) cc_final: 0.8562 (p) REVERT: e 24 ARG cc_start: 0.7821 (ttm110) cc_final: 0.7544 (ttp80) REVERT: e 133 SER cc_start: 0.8789 (OUTLIER) cc_final: 0.8569 (p) REVERT: f 93 GLU cc_start: 0.8302 (OUTLIER) cc_final: 0.6805 (mp0) REVERT: f 124 GLU cc_start: 0.7278 (OUTLIER) cc_final: 0.6936 (tm-30) REVERT: g 93 GLU cc_start: 0.8384 (OUTLIER) cc_final: 0.7195 (mp0) REVERT: h 235 GLU cc_start: 0.8339 (OUTLIER) cc_final: 0.8068 (tt0) REVERT: i 192 LYS cc_start: 0.7451 (OUTLIER) cc_final: 0.6899 (mmpt) REVERT: i 229 ASP cc_start: 0.7372 (OUTLIER) cc_final: 0.6863 (m-30) REVERT: j 93 GLU cc_start: 0.8309 (OUTLIER) cc_final: 0.6804 (mp0) REVERT: j 124 GLU cc_start: 0.7274 (OUTLIER) cc_final: 0.6931 (tm-30) REVERT: k 93 GLU cc_start: 0.8379 (OUTLIER) cc_final: 0.7180 (mp0) REVERT: l 235 GLU cc_start: 0.8343 (OUTLIER) cc_final: 0.8072 (tt0) REVERT: m 192 LYS cc_start: 0.7453 (OUTLIER) cc_final: 0.6901 (mmpt) REVERT: n 24 ARG cc_start: 0.7821 (ttm110) cc_final: 0.7542 (ttp80) REVERT: n 133 SER cc_start: 0.8786 (OUTLIER) cc_final: 0.8566 (p) REVERT: p 235 GLU cc_start: 0.8342 (OUTLIER) cc_final: 0.8070 (tt0) REVERT: q 192 LYS cc_start: 0.7444 (OUTLIER) cc_final: 0.6806 (mmpt) REVERT: r 24 ARG cc_start: 0.7822 (ttm110) cc_final: 0.7543 (ttp80) REVERT: r 133 SER cc_start: 0.8789 (OUTLIER) cc_final: 0.8567 (p) REVERT: r 193 ARG cc_start: 0.6636 (OUTLIER) cc_final: 0.6026 (mmt90) REVERT: s 93 GLU cc_start: 0.8302 (OUTLIER) cc_final: 0.6808 (mp0) REVERT: s 124 GLU cc_start: 0.7276 (OUTLIER) cc_final: 0.6934 (tm-30) REVERT: t 235 GLU cc_start: 0.8342 (OUTLIER) cc_final: 0.8072 (tt0) REVERT: u 192 LYS cc_start: 0.7454 (OUTLIER) cc_final: 0.6902 (mmpt) REVERT: v 24 ARG cc_start: 0.7818 (ttm110) cc_final: 0.7542 (ttp80) REVERT: v 133 SER cc_start: 0.8785 (OUTLIER) cc_final: 0.8564 (p) REVERT: v 193 ARG cc_start: 0.6624 (OUTLIER) cc_final: 0.6018 (mmt90) REVERT: w 93 GLU cc_start: 0.8307 (OUTLIER) cc_final: 0.6805 (mp0) REVERT: w 124 GLU cc_start: 0.7274 (OUTLIER) cc_final: 0.6931 (tm-30) outliers start: 339 outliers final: 241 residues processed: 873 average time/residue: 2.3522 time to fit residues: 2725.7516 Evaluate side-chains 886 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 312 poor density : 574 time to evaluate : 11.136 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 75 LEU Chi-restraints excluded: chain A residue 235 GLU Chi-restraints excluded: chain A residue 254 VAL Chi-restraints excluded: chain A residue 260 LEU Chi-restraints excluded: chain B residue 156 LEU Chi-restraints excluded: chain B residue 210 GLU Chi-restraints excluded: chain B residue 229 ASP Chi-restraints excluded: chain B residue 254 VAL Chi-restraints excluded: chain B residue 260 LEU Chi-restraints excluded: chain C residue 133 SER Chi-restraints excluded: chain C residue 156 LEU Chi-restraints excluded: chain C residue 159 PHE Chi-restraints excluded: chain C residue 254 VAL Chi-restraints excluded: chain C residue 260 LEU Chi-restraints excluded: chain C residue 264 LYS Chi-restraints excluded: chain D residue 93 GLU Chi-restraints excluded: chain D residue 124 GLU Chi-restraints excluded: chain D residue 178 ILE Chi-restraints excluded: chain D residue 193 ARG Chi-restraints excluded: chain D residue 254 VAL Chi-restraints excluded: chain D residue 260 LEU Chi-restraints excluded: chain E residue 159 PHE Chi-restraints excluded: chain E residue 178 ILE Chi-restraints excluded: chain E residue 193 ARG Chi-restraints excluded: chain E residue 254 VAL Chi-restraints excluded: chain F residue 93 GLU Chi-restraints excluded: chain F residue 159 PHE Chi-restraints excluded: chain F residue 178 ILE Chi-restraints excluded: chain F residue 193 ARG Chi-restraints excluded: chain F residue 254 VAL Chi-restraints excluded: chain G residue 75 LEU Chi-restraints excluded: chain G residue 235 GLU Chi-restraints excluded: chain G residue 254 VAL Chi-restraints excluded: chain G residue 260 LEU Chi-restraints excluded: chain H residue 156 LEU Chi-restraints excluded: chain H residue 192 LYS Chi-restraints excluded: chain H residue 210 GLU Chi-restraints excluded: chain H residue 229 ASP Chi-restraints excluded: chain H residue 254 VAL Chi-restraints excluded: chain H residue 260 LEU Chi-restraints excluded: chain I residue 62 ASN Chi-restraints excluded: chain I residue 133 SER Chi-restraints excluded: chain I residue 156 LEU Chi-restraints excluded: chain I residue 159 PHE Chi-restraints excluded: chain I residue 254 VAL Chi-restraints excluded: chain I residue 260 LEU Chi-restraints excluded: chain I residue 264 LYS Chi-restraints excluded: chain J residue 93 GLU Chi-restraints excluded: chain J residue 124 GLU Chi-restraints excluded: chain J residue 178 ILE Chi-restraints excluded: chain J residue 193 ARG Chi-restraints excluded: chain J residue 254 VAL Chi-restraints excluded: chain J residue 260 LEU Chi-restraints excluded: chain K residue 93 GLU Chi-restraints excluded: chain K residue 124 GLU Chi-restraints excluded: chain K residue 178 ILE Chi-restraints excluded: chain K residue 193 ARG Chi-restraints excluded: chain K residue 254 VAL Chi-restraints excluded: chain K residue 260 LEU Chi-restraints excluded: chain L residue 93 GLU Chi-restraints excluded: chain L residue 159 PHE Chi-restraints excluded: chain L residue 178 ILE Chi-restraints excluded: chain L residue 193 ARG Chi-restraints excluded: chain L residue 254 VAL Chi-restraints excluded: chain M residue 75 LEU Chi-restraints excluded: chain M residue 235 GLU Chi-restraints excluded: chain M residue 254 VAL Chi-restraints excluded: chain M residue 260 LEU Chi-restraints excluded: chain N residue 156 LEU Chi-restraints excluded: chain N residue 192 LYS Chi-restraints excluded: chain N residue 210 GLU Chi-restraints excluded: chain N residue 254 VAL Chi-restraints excluded: chain N residue 260 LEU Chi-restraints excluded: chain O residue 133 SER Chi-restraints excluded: chain O residue 156 LEU Chi-restraints excluded: chain O residue 159 PHE Chi-restraints excluded: chain O residue 254 VAL Chi-restraints excluded: chain O residue 260 LEU Chi-restraints excluded: chain O residue 264 LYS Chi-restraints excluded: chain P residue 62 ASN Chi-restraints excluded: chain P residue 133 SER Chi-restraints excluded: chain P residue 156 LEU Chi-restraints excluded: chain P residue 159 PHE Chi-restraints excluded: chain P residue 254 VAL Chi-restraints excluded: chain P residue 260 LEU Chi-restraints excluded: chain P residue 264 LYS Chi-restraints excluded: chain Q residue 93 GLU Chi-restraints excluded: chain Q residue 124 GLU Chi-restraints excluded: chain Q residue 178 ILE Chi-restraints excluded: chain Q residue 193 ARG Chi-restraints excluded: chain Q residue 254 VAL Chi-restraints excluded: chain Q residue 260 LEU Chi-restraints excluded: chain R residue 93 GLU Chi-restraints excluded: chain R residue 159 PHE Chi-restraints excluded: chain R residue 178 ILE Chi-restraints excluded: chain R residue 193 ARG Chi-restraints excluded: chain R residue 254 VAL Chi-restraints excluded: chain S residue 75 LEU Chi-restraints excluded: chain S residue 235 GLU Chi-restraints excluded: chain S residue 254 VAL Chi-restraints excluded: chain T residue 156 LEU Chi-restraints excluded: chain T residue 210 GLU Chi-restraints excluded: chain T residue 229 ASP Chi-restraints excluded: chain T residue 254 VAL Chi-restraints excluded: chain T residue 260 LEU Chi-restraints excluded: chain U residue 93 GLU Chi-restraints excluded: chain U residue 159 PHE Chi-restraints excluded: chain U residue 178 ILE Chi-restraints excluded: chain U residue 193 ARG Chi-restraints excluded: chain U residue 254 VAL Chi-restraints excluded: chain V residue 75 LEU Chi-restraints excluded: chain V residue 235 GLU Chi-restraints excluded: chain V residue 254 VAL Chi-restraints excluded: chain V residue 260 LEU Chi-restraints excluded: chain W residue 156 LEU Chi-restraints excluded: chain W residue 192 LYS Chi-restraints excluded: chain W residue 210 GLU Chi-restraints excluded: chain W residue 254 VAL Chi-restraints excluded: chain W residue 260 LEU Chi-restraints excluded: chain X residue 133 SER Chi-restraints excluded: chain X residue 156 LEU Chi-restraints excluded: chain X residue 159 PHE Chi-restraints excluded: chain X residue 254 VAL Chi-restraints excluded: chain X residue 260 LEU Chi-restraints excluded: chain X residue 264 LYS Chi-restraints excluded: chain Y residue 93 GLU Chi-restraints excluded: chain Y residue 124 GLU Chi-restraints excluded: chain Y residue 178 ILE Chi-restraints excluded: chain Y residue 193 ARG Chi-restraints excluded: chain Y residue 254 VAL Chi-restraints excluded: chain Y residue 260 LEU Chi-restraints excluded: chain Z residue 75 LEU Chi-restraints excluded: chain Z residue 235 GLU Chi-restraints excluded: chain Z residue 254 VAL Chi-restraints excluded: chain 0 residue 156 LEU Chi-restraints excluded: chain 0 residue 192 LYS Chi-restraints excluded: chain 0 residue 210 GLU Chi-restraints excluded: chain 0 residue 254 VAL Chi-restraints excluded: chain 0 residue 260 LEU Chi-restraints excluded: chain 1 residue 133 SER Chi-restraints excluded: chain 1 residue 156 LEU Chi-restraints excluded: chain 1 residue 159 PHE Chi-restraints excluded: chain 1 residue 254 VAL Chi-restraints excluded: chain 1 residue 260 LEU Chi-restraints excluded: chain 1 residue 264 LYS Chi-restraints excluded: chain 2 residue 93 GLU Chi-restraints excluded: chain 2 residue 124 GLU Chi-restraints excluded: chain 2 residue 178 ILE Chi-restraints excluded: chain 2 residue 193 ARG Chi-restraints excluded: chain 2 residue 254 VAL Chi-restraints excluded: chain 2 residue 260 LEU Chi-restraints excluded: chain 3 residue 93 GLU Chi-restraints excluded: chain 3 residue 159 PHE Chi-restraints excluded: chain 3 residue 178 ILE Chi-restraints excluded: chain 3 residue 193 ARG Chi-restraints excluded: chain 3 residue 254 VAL Chi-restraints excluded: chain 4 residue 133 SER Chi-restraints excluded: chain 4 residue 143 SER Chi-restraints excluded: chain 4 residue 156 LEU Chi-restraints excluded: chain 4 residue 159 PHE Chi-restraints excluded: chain 4 residue 254 VAL Chi-restraints excluded: chain 4 residue 264 LYS Chi-restraints excluded: chain 5 residue 93 GLU Chi-restraints excluded: chain 5 residue 124 GLU Chi-restraints excluded: chain 5 residue 178 ILE Chi-restraints excluded: chain 5 residue 193 ARG Chi-restraints excluded: chain 5 residue 254 VAL Chi-restraints excluded: chain 5 residue 260 LEU Chi-restraints excluded: chain 6 residue 159 PHE Chi-restraints excluded: chain 6 residue 178 ILE Chi-restraints excluded: chain 6 residue 193 ARG Chi-restraints excluded: chain 6 residue 254 VAL Chi-restraints excluded: chain 7 residue 75 LEU Chi-restraints excluded: chain 7 residue 235 GLU Chi-restraints excluded: chain 7 residue 254 VAL Chi-restraints excluded: chain 7 residue 260 LEU Chi-restraints excluded: chain 8 residue 156 LEU Chi-restraints excluded: chain 8 residue 192 LYS Chi-restraints excluded: chain 8 residue 210 GLU Chi-restraints excluded: chain 8 residue 254 VAL Chi-restraints excluded: chain 8 residue 260 LEU Chi-restraints excluded: chain 9 residue 93 GLU Chi-restraints excluded: chain 9 residue 124 GLU Chi-restraints excluded: chain 9 residue 178 ILE Chi-restraints excluded: chain 9 residue 193 ARG Chi-restraints excluded: chain 9 residue 254 VAL Chi-restraints excluded: chain 9 residue 260 LEU Chi-restraints excluded: chain a residue 159 PHE Chi-restraints excluded: chain a residue 178 ILE Chi-restraints excluded: chain a residue 193 ARG Chi-restraints excluded: chain a residue 254 VAL Chi-restraints excluded: chain b residue 75 LEU Chi-restraints excluded: chain b residue 178 ILE Chi-restraints excluded: chain b residue 235 GLU Chi-restraints excluded: chain b residue 254 VAL Chi-restraints excluded: chain b residue 260 LEU Chi-restraints excluded: chain c residue 156 LEU Chi-restraints excluded: chain c residue 192 LYS Chi-restraints excluded: chain c residue 210 GLU Chi-restraints excluded: chain c residue 254 VAL Chi-restraints excluded: chain c residue 260 LEU Chi-restraints excluded: chain d residue 133 SER Chi-restraints excluded: chain d residue 156 LEU Chi-restraints excluded: chain d residue 159 PHE Chi-restraints excluded: chain d residue 254 VAL Chi-restraints excluded: chain d residue 260 LEU Chi-restraints excluded: chain d residue 264 LYS Chi-restraints excluded: chain e residue 133 SER Chi-restraints excluded: chain e residue 156 LEU Chi-restraints excluded: chain e residue 159 PHE Chi-restraints excluded: chain e residue 254 VAL Chi-restraints excluded: chain e residue 260 LEU Chi-restraints excluded: chain e residue 264 LYS Chi-restraints excluded: chain f residue 93 GLU Chi-restraints excluded: chain f residue 124 GLU Chi-restraints excluded: chain f residue 178 ILE Chi-restraints excluded: chain f residue 193 ARG Chi-restraints excluded: chain f residue 254 VAL Chi-restraints excluded: chain f residue 260 LEU Chi-restraints excluded: chain g residue 93 GLU Chi-restraints excluded: chain g residue 159 PHE Chi-restraints excluded: chain g residue 178 ILE Chi-restraints excluded: chain g residue 193 ARG Chi-restraints excluded: chain g residue 254 VAL Chi-restraints excluded: chain h residue 75 LEU Chi-restraints excluded: chain h residue 235 GLU Chi-restraints excluded: chain h residue 254 VAL Chi-restraints excluded: chain h residue 260 LEU Chi-restraints excluded: chain i residue 156 LEU Chi-restraints excluded: chain i residue 192 LYS Chi-restraints excluded: chain i residue 210 GLU Chi-restraints excluded: chain i residue 229 ASP Chi-restraints excluded: chain i residue 254 VAL Chi-restraints excluded: chain i residue 260 LEU Chi-restraints excluded: chain j residue 93 GLU Chi-restraints excluded: chain j residue 124 GLU Chi-restraints excluded: chain j residue 178 ILE Chi-restraints excluded: chain j residue 193 ARG Chi-restraints excluded: chain j residue 254 VAL Chi-restraints excluded: chain j residue 260 LEU Chi-restraints excluded: chain k residue 93 GLU Chi-restraints excluded: chain k residue 159 PHE Chi-restraints excluded: chain k residue 178 ILE Chi-restraints excluded: chain k residue 193 ARG Chi-restraints excluded: chain k residue 254 VAL Chi-restraints excluded: chain l residue 75 LEU Chi-restraints excluded: chain l residue 235 GLU Chi-restraints excluded: chain l residue 254 VAL Chi-restraints excluded: chain m residue 156 LEU Chi-restraints excluded: chain m residue 192 LYS Chi-restraints excluded: chain m residue 210 GLU Chi-restraints excluded: chain m residue 254 VAL Chi-restraints excluded: chain m residue 260 LEU Chi-restraints excluded: chain n residue 133 SER Chi-restraints excluded: chain n residue 156 LEU Chi-restraints excluded: chain n residue 159 PHE Chi-restraints excluded: chain n residue 254 VAL Chi-restraints excluded: chain n residue 260 LEU Chi-restraints excluded: chain n residue 264 LYS Chi-restraints excluded: chain o residue 159 PHE Chi-restraints excluded: chain o residue 178 ILE Chi-restraints excluded: chain o residue 193 ARG Chi-restraints excluded: chain o residue 254 VAL Chi-restraints excluded: chain p residue 75 LEU Chi-restraints excluded: chain p residue 235 GLU Chi-restraints excluded: chain p residue 254 VAL Chi-restraints excluded: chain p residue 260 LEU Chi-restraints excluded: chain q residue 156 LEU Chi-restraints excluded: chain q residue 192 LYS Chi-restraints excluded: chain q residue 210 GLU Chi-restraints excluded: chain q residue 254 VAL Chi-restraints excluded: chain q residue 260 LEU Chi-restraints excluded: chain r residue 133 SER Chi-restraints excluded: chain r residue 143 SER Chi-restraints excluded: chain r residue 156 LEU Chi-restraints excluded: chain r residue 159 PHE Chi-restraints excluded: chain r residue 193 ARG Chi-restraints excluded: chain r residue 254 VAL Chi-restraints excluded: chain r residue 260 LEU Chi-restraints excluded: chain r residue 264 LYS Chi-restraints excluded: chain s residue 93 GLU Chi-restraints excluded: chain s residue 124 GLU Chi-restraints excluded: chain s residue 178 ILE Chi-restraints excluded: chain s residue 193 ARG Chi-restraints excluded: chain s residue 254 VAL Chi-restraints excluded: chain s residue 260 LEU Chi-restraints excluded: chain t residue 75 LEU Chi-restraints excluded: chain t residue 235 GLU Chi-restraints excluded: chain t residue 254 VAL Chi-restraints excluded: chain t residue 260 LEU Chi-restraints excluded: chain u residue 156 LEU Chi-restraints excluded: chain u residue 192 LYS Chi-restraints excluded: chain u residue 210 GLU Chi-restraints excluded: chain u residue 254 VAL Chi-restraints excluded: chain u residue 260 LEU Chi-restraints excluded: chain v residue 133 SER Chi-restraints excluded: chain v residue 156 LEU Chi-restraints excluded: chain v residue 159 PHE Chi-restraints excluded: chain v residue 193 ARG Chi-restraints excluded: chain v residue 254 VAL Chi-restraints excluded: chain v residue 260 LEU Chi-restraints excluded: chain v residue 264 LYS Chi-restraints excluded: chain w residue 93 GLU Chi-restraints excluded: chain w residue 124 GLU Chi-restraints excluded: chain w residue 178 ILE Chi-restraints excluded: chain w residue 193 ARG Chi-restraints excluded: chain w residue 254 VAL Chi-restraints excluded: chain w residue 260 LEU Chi-restraints excluded: chain x residue 159 PHE Chi-restraints excluded: chain x residue 178 ILE Chi-restraints excluded: chain x residue 193 ARG Chi-restraints excluded: chain x residue 254 VAL Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 983 optimal weight: 20.0000 chunk 1318 optimal weight: 20.0000 chunk 379 optimal weight: 6.9990 chunk 1141 optimal weight: 2.9990 chunk 182 optimal weight: 10.0000 chunk 343 optimal weight: 0.0060 chunk 1239 optimal weight: 9.9990 chunk 518 optimal weight: 4.9990 chunk 1272 optimal weight: 3.9990 chunk 156 optimal weight: 10.0000 chunk 228 optimal weight: 10.0000 overall best weight: 3.8004 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3642 r_free = 0.3642 target = 0.141966 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 48)----------------| | r_work = 0.3348 r_free = 0.3348 target = 0.117231 restraints weight = 161889.444| |-----------------------------------------------------------------------------| r_work (start): 0.3314 rms_B_bonded: 1.82 r_work: 0.3213 rms_B_bonded: 2.25 restraints_weight: 0.5000 r_work: 0.3100 rms_B_bonded: 3.76 restraints_weight: 0.2500 r_work (final): 0.3100 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8386 moved from start: 0.1691 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.026 132600 Z= 0.268 Angle : 0.684 6.516 179160 Z= 0.363 Chirality : 0.046 0.157 19800 Planarity : 0.006 0.055 22920 Dihedral : 7.196 37.871 18124 Min Nonbonded Distance : 2.322 Molprobity Statistics. All-atom Clashscore : 2.16 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.49 % Favored : 94.51 % Rotamer: Outliers : 2.43 % Allowed : 27.21 % Favored : 70.36 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.93 (0.06), residues: 15720 helix: 1.48 (0.07), residues: 4800 sheet: -0.01 (0.09), residues: 3120 loop : -2.37 (0.06), residues: 7800 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.007 0.001 TRP r 16 HIS 0.003 0.002 HIS 3 50 PHE 0.010 0.002 PHE E 36 TYR 0.006 0.001 TYR X 47 ARG 0.004 0.000 ARG A 208 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 42879.20 seconds wall clock time: 738 minutes 51.07 seconds (44331.07 seconds total)