Starting phenix.real_space_refine on Sat Mar 16 09:18:58 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7lik_23381/03_2024/7lik_23381_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7lik_23381/03_2024/7lik_23381.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=2.91 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7lik_23381/03_2024/7lik_23381.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7lik_23381/03_2024/7lik_23381.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7lik_23381/03_2024/7lik_23381_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7lik_23381/03_2024/7lik_23381_updated.pdb" } resolution = 2.91 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= 0.007 sd= 0.089 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 83880 2.51 5 N 21840 2.21 5 O 24840 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 TYR 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 43": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 46": "OE1" <-> "OE2" Residue "A PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 105": "OE1" <-> "OE2" Residue "A GLU 106": "OE1" <-> "OE2" Residue "A GLU 117": "OE1" <-> "OE2" Residue "A PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 211": "OD1" <-> "OD2" Residue "A PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "B PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 105": "OE1" <-> "OE2" Residue "B GLU 106": "OE1" <-> "OE2" Residue "B GLU 117": "OE1" <-> "OE2" Residue "B PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ASP 211": "OD1" <-> "OD2" Residue "B PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "C PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 105": "OE1" <-> "OE2" Residue "C GLU 106": "OE1" <-> "OE2" Residue "C GLU 117": "OE1" <-> "OE2" Residue "C PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 211": "OD1" <-> "OD2" Residue "C PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "D PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 105": "OE1" <-> "OE2" Residue "D GLU 106": "OE1" <-> "OE2" Residue "D GLU 117": "OE1" <-> "OE2" Residue "D PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 211": "OD1" <-> "OD2" Residue "D PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "E PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 105": "OE1" <-> "OE2" Residue "E GLU 106": "OE1" <-> "OE2" Residue "E GLU 117": "OE1" <-> "OE2" Residue "E PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ASP 211": "OD1" <-> "OD2" Residue "E PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "F PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F GLU 105": "OE1" <-> "OE2" Residue "F GLU 106": "OE1" <-> "OE2" Residue "F GLU 117": "OE1" <-> "OE2" Residue "F PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ASP 211": "OD1" <-> "OD2" Residue "F PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "G PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 105": "OE1" <-> "OE2" Residue "G GLU 106": "OE1" <-> "OE2" Residue "G GLU 117": "OE1" <-> "OE2" Residue "G PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 211": "OD1" <-> "OD2" Residue "G PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "H PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H GLU 105": "OE1" <-> "OE2" Residue "H GLU 106": "OE1" <-> "OE2" Residue "H GLU 117": "OE1" <-> "OE2" Residue "H PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H ASP 211": "OD1" <-> "OD2" Residue "H PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "I PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I GLU 105": "OE1" <-> "OE2" Residue "I GLU 106": "OE1" <-> "OE2" Residue "I GLU 117": "OE1" <-> "OE2" Residue "I PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ASP 211": "OD1" <-> "OD2" Residue "I PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "J PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J GLU 105": "OE1" <-> "OE2" Residue "J GLU 106": "OE1" <-> "OE2" Residue "J GLU 117": "OE1" <-> "OE2" Residue "J PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 211": "OD1" <-> "OD2" Residue "J PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "K PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K GLU 105": "OE1" <-> "OE2" Residue "K GLU 106": "OE1" <-> "OE2" Residue "K GLU 117": "OE1" <-> "OE2" Residue "K PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ASP 211": "OD1" <-> "OD2" Residue "K PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "L PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L GLU 105": "OE1" <-> "OE2" Residue "L GLU 106": "OE1" <-> "OE2" Residue "L GLU 117": "OE1" <-> "OE2" Residue "L PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ASP 211": "OD1" <-> "OD2" Residue "L PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "M PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M GLU 105": "OE1" <-> "OE2" Residue "M GLU 106": "OE1" <-> "OE2" Residue "M GLU 117": "OE1" <-> "OE2" Residue "M PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ASP 211": "OD1" <-> "OD2" Residue "M PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "N PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N GLU 105": "OE1" <-> "OE2" Residue "N GLU 106": "OE1" <-> "OE2" Residue "N GLU 117": "OE1" <-> "OE2" Residue "N PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ASP 211": "OD1" <-> "OD2" Residue "N PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "O PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O GLU 105": "OE1" <-> "OE2" Residue "O GLU 106": "OE1" <-> "OE2" Residue "O GLU 117": "OE1" <-> "OE2" Residue "O PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ASP 211": "OD1" <-> "OD2" Residue "O PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "P PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P GLU 105": "OE1" <-> "OE2" Residue "P GLU 106": "OE1" <-> "OE2" Residue "P GLU 117": "OE1" <-> "OE2" Residue "P PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ASP 211": "OD1" <-> "OD2" Residue "P PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "Q PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q GLU 105": "OE1" <-> "OE2" Residue "Q GLU 106": "OE1" <-> "OE2" Residue "Q GLU 117": "OE1" <-> "OE2" Residue "Q PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q ASP 211": "OD1" <-> "OD2" Residue "Q PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "R PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R GLU 105": "OE1" <-> "OE2" Residue "R GLU 106": "OE1" <-> "OE2" Residue "R GLU 117": "OE1" <-> "OE2" Residue "R PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R ASP 211": "OD1" <-> "OD2" Residue "R PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "S PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S GLU 105": "OE1" <-> "OE2" Residue "S GLU 106": "OE1" <-> "OE2" Residue "S GLU 117": "OE1" <-> "OE2" Residue "S PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S ASP 211": "OD1" <-> "OD2" Residue "S PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "T PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T GLU 105": "OE1" <-> "OE2" Residue "T GLU 106": "OE1" <-> "OE2" Residue "T GLU 117": "OE1" <-> "OE2" Residue "T PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T ASP 211": "OD1" <-> "OD2" Residue "T PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "U PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U GLU 105": "OE1" <-> "OE2" Residue "U GLU 106": "OE1" <-> "OE2" Residue "U GLU 117": "OE1" <-> "OE2" Residue "U PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U ASP 211": "OD1" <-> "OD2" Residue "U PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "V PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V GLU 105": "OE1" <-> "OE2" Residue "V GLU 106": "OE1" <-> "OE2" Residue "V GLU 117": "OE1" <-> "OE2" Residue "V PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V ASP 211": "OD1" <-> "OD2" Residue "V PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "W PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W GLU 105": "OE1" <-> "OE2" Residue "W GLU 106": "OE1" <-> "OE2" Residue "W GLU 117": "OE1" <-> "OE2" Residue "W PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W ASP 211": "OD1" <-> "OD2" Residue "W PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "X PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X GLU 105": "OE1" <-> "OE2" Residue "X GLU 106": "OE1" <-> "OE2" Residue "X GLU 117": "OE1" <-> "OE2" Residue "X PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X ASP 211": "OD1" <-> "OD2" Residue "X PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "Y PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y GLU 105": "OE1" <-> "OE2" Residue "Y GLU 106": "OE1" <-> "OE2" Residue "Y GLU 117": "OE1" <-> "OE2" Residue "Y PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y ASP 211": "OD1" <-> "OD2" Residue "Y PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "Z PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z GLU 105": "OE1" <-> "OE2" Residue "Z GLU 106": "OE1" <-> "OE2" Residue "Z GLU 117": "OE1" <-> "OE2" Residue "Z PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z ASP 211": "OD1" <-> "OD2" Residue "Z PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "0 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 GLU 105": "OE1" <-> "OE2" Residue "0 GLU 106": "OE1" <-> "OE2" Residue "0 GLU 117": "OE1" <-> "OE2" Residue "0 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 ASP 211": "OD1" <-> "OD2" Residue "0 PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "1 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 GLU 105": "OE1" <-> "OE2" Residue "1 GLU 106": "OE1" <-> "OE2" Residue "1 GLU 117": "OE1" <-> "OE2" Residue "1 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ASP 211": "OD1" <-> "OD2" Residue "1 PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "2 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 GLU 105": "OE1" <-> "OE2" Residue "2 GLU 106": "OE1" <-> "OE2" Residue "2 GLU 117": "OE1" <-> "OE2" Residue "2 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 ASP 211": "OD1" <-> "OD2" Residue "2 PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "3 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 GLU 105": "OE1" <-> "OE2" Residue "3 GLU 106": "OE1" <-> "OE2" Residue "3 GLU 117": "OE1" <-> "OE2" Residue "3 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ASP 211": "OD1" <-> "OD2" Residue "3 PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "4 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 GLU 105": "OE1" <-> "OE2" Residue "4 GLU 106": "OE1" <-> "OE2" Residue "4 GLU 117": "OE1" <-> "OE2" Residue "4 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 ASP 211": "OD1" <-> "OD2" Residue "4 PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "5 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 GLU 105": "OE1" <-> "OE2" Residue "5 GLU 106": "OE1" <-> "OE2" Residue "5 GLU 117": "OE1" <-> "OE2" Residue "5 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 ASP 211": "OD1" <-> "OD2" Residue "5 PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "6 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 GLU 105": "OE1" <-> "OE2" Residue "6 GLU 106": "OE1" <-> "OE2" Residue "6 GLU 117": "OE1" <-> "OE2" Residue "6 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 ASP 211": "OD1" <-> "OD2" Residue "6 PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "7 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 GLU 105": "OE1" <-> "OE2" Residue "7 GLU 106": "OE1" <-> "OE2" Residue "7 GLU 117": "OE1" <-> "OE2" Residue "7 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 ASP 211": "OD1" <-> "OD2" Residue "7 PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "8 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 GLU 105": "OE1" <-> "OE2" Residue "8 GLU 106": "OE1" <-> "OE2" Residue "8 GLU 117": "OE1" <-> "OE2" Residue "8 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 ASP 211": "OD1" <-> "OD2" Residue "8 PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "9 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 GLU 105": "OE1" <-> "OE2" Residue "9 GLU 106": "OE1" <-> "OE2" Residue "9 GLU 117": "OE1" <-> "OE2" Residue "9 PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 ASP 211": "OD1" <-> "OD2" Residue "9 PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "a PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a GLU 105": "OE1" <-> "OE2" Residue "a GLU 106": "OE1" <-> "OE2" Residue "a GLU 117": "OE1" <-> "OE2" Residue "a PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a ASP 211": "OD1" <-> "OD2" Residue "a PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "b PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b GLU 105": "OE1" <-> "OE2" Residue "b GLU 106": "OE1" <-> "OE2" Residue "b GLU 117": "OE1" <-> "OE2" Residue "b PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b ASP 211": "OD1" <-> "OD2" Residue "b PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "c PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c GLU 105": "OE1" <-> "OE2" Residue "c GLU 106": "OE1" <-> "OE2" Residue "c GLU 117": "OE1" <-> "OE2" Residue "c PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c ASP 211": "OD1" <-> "OD2" Residue "c PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "d PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d GLU 105": "OE1" <-> "OE2" Residue "d GLU 106": "OE1" <-> "OE2" Residue "d GLU 117": "OE1" <-> "OE2" Residue "d PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d ASP 211": "OD1" <-> "OD2" Residue "d PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "e PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e GLU 105": "OE1" <-> "OE2" Residue "e GLU 106": "OE1" <-> "OE2" Residue "e GLU 117": "OE1" <-> "OE2" Residue "e PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e ASP 211": "OD1" <-> "OD2" Residue "e PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "f PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f GLU 105": "OE1" <-> "OE2" Residue "f GLU 106": "OE1" <-> "OE2" Residue "f GLU 117": "OE1" <-> "OE2" Residue "f PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f ASP 211": "OD1" <-> "OD2" Residue "f PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "g PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g GLU 105": "OE1" <-> "OE2" Residue "g GLU 106": "OE1" <-> "OE2" Residue "g GLU 117": "OE1" <-> "OE2" Residue "g PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g ASP 211": "OD1" <-> "OD2" Residue "g PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "h PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h GLU 105": "OE1" <-> "OE2" Residue "h GLU 106": "OE1" <-> "OE2" Residue "h GLU 117": "OE1" <-> "OE2" Residue "h PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h ASP 211": "OD1" <-> "OD2" Residue "h PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "i PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i GLU 105": "OE1" <-> "OE2" Residue "i GLU 106": "OE1" <-> "OE2" Residue "i GLU 117": "OE1" <-> "OE2" Residue "i PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i ASP 211": "OD1" <-> "OD2" Residue "i PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "j PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j GLU 105": "OE1" <-> "OE2" Residue "j GLU 106": "OE1" <-> "OE2" Residue "j GLU 117": "OE1" <-> "OE2" Residue "j PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j ASP 211": "OD1" <-> "OD2" Residue "j PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "k PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k GLU 105": "OE1" <-> "OE2" Residue "k GLU 106": "OE1" <-> "OE2" Residue "k GLU 117": "OE1" <-> "OE2" Residue "k PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k ASP 211": "OD1" <-> "OD2" Residue "k PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "l PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l GLU 105": "OE1" <-> "OE2" Residue "l GLU 106": "OE1" <-> "OE2" Residue "l GLU 117": "OE1" <-> "OE2" Residue "l PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l ASP 211": "OD1" <-> "OD2" Residue "l PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "m PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m GLU 105": "OE1" <-> "OE2" Residue "m GLU 106": "OE1" <-> "OE2" Residue "m GLU 117": "OE1" <-> "OE2" Residue "m PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m ASP 211": "OD1" <-> "OD2" Residue "m PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "n PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n GLU 105": "OE1" <-> "OE2" Residue "n GLU 106": "OE1" <-> "OE2" Residue "n GLU 117": "OE1" <-> "OE2" Residue "n PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n ASP 211": "OD1" <-> "OD2" Residue "n PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "o PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o GLU 105": "OE1" <-> "OE2" Residue "o GLU 106": "OE1" <-> "OE2" Residue "o GLU 117": "OE1" <-> "OE2" Residue "o PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o ASP 211": "OD1" <-> "OD2" Residue "o PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "p PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p GLU 105": "OE1" <-> "OE2" Residue "p GLU 106": "OE1" <-> "OE2" Residue "p GLU 117": "OE1" <-> "OE2" Residue "p PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p ASP 211": "OD1" <-> "OD2" Residue "p PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "q PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q GLU 105": "OE1" <-> "OE2" Residue "q GLU 106": "OE1" <-> "OE2" Residue "q GLU 117": "OE1" <-> "OE2" Residue "q PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q ASP 211": "OD1" <-> "OD2" Residue "q PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "r PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r GLU 105": "OE1" <-> "OE2" Residue "r GLU 106": "OE1" <-> "OE2" Residue "r GLU 117": "OE1" <-> "OE2" Residue "r PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r ASP 211": "OD1" <-> "OD2" Residue "r PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "s PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s GLU 105": "OE1" <-> "OE2" Residue "s GLU 106": "OE1" <-> "OE2" Residue "s GLU 117": "OE1" <-> "OE2" Residue "s PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s ASP 211": "OD1" <-> "OD2" Residue "s PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "t PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t GLU 105": "OE1" <-> "OE2" Residue "t GLU 106": "OE1" <-> "OE2" Residue "t GLU 117": "OE1" <-> "OE2" Residue "t PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t ASP 211": "OD1" <-> "OD2" Residue "t PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "u PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u GLU 105": "OE1" <-> "OE2" Residue "u GLU 106": "OE1" <-> "OE2" Residue "u GLU 117": "OE1" <-> "OE2" Residue "u PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u ASP 211": "OD1" <-> "OD2" Residue "u PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "v PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v GLU 105": "OE1" <-> "OE2" Residue "v GLU 106": "OE1" <-> "OE2" Residue "v GLU 117": "OE1" <-> "OE2" Residue "v PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v ASP 211": "OD1" <-> "OD2" Residue "v PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "w PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w GLU 105": "OE1" <-> "OE2" Residue "w GLU 106": "OE1" <-> "OE2" Residue "w GLU 117": "OE1" <-> "OE2" Residue "w PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w ASP 211": "OD1" <-> "OD2" Residue "w PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 8": "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 GLU 46": "OE1" <-> "OE2" Residue "x PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x GLU 105": "OE1" <-> "OE2" Residue "x GLU 106": "OE1" <-> "OE2" Residue "x GLU 117": "OE1" <-> "OE2" Residue "x PHE 120": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x TYR 168": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 180": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x ASP 211": "OD1" <-> "OD2" Residue "x PHE 250": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 265": "CD1" <-> "CD2" "CE1" <-> "CE2" Time to flip residues: 0.36s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/chem_data/mon_lib" Total number of atoms: 130800 Number of models: 1 Model: "" Number of chains: 60 Chain: "A" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE A 265 " pdbres="RBF A 301 " Chain: "B" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE B 265 " pdbres="RBF B 301 " Chain: "C" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE C 265 " pdbres="RBF C 301 " Chain: "D" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE D 265 " pdbres="RBF D 301 " Chain: "E" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE E 265 " pdbres="RBF E 301 " Chain: "F" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE F 265 " pdbres="RBF F 301 " Chain: "G" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE G 265 " pdbres="RBF G 301 " Chain: "H" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE H 265 " pdbres="RBF H 301 " Chain: "I" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE I 265 " pdbres="RBF I 301 " Chain: "J" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE J 265 " pdbres="RBF J 301 " Chain: "K" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE K 265 " pdbres="RBF K 301 " Chain: "L" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE L 265 " pdbres="RBF L 301 " Chain: "M" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE M 265 " pdbres="RBF M 301 " Chain: "N" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE N 265 " pdbres="RBF N 301 " Chain: "O" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE O 265 " pdbres="RBF O 301 " Chain: "P" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE P 265 " pdbres="RBF P 301 " Chain: "Q" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE Q 265 " pdbres="RBF Q 301 " Chain: "R" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE R 265 " pdbres="RBF R 301 " Chain: "S" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE S 265 " pdbres="RBF S 301 " Chain: "T" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE T 265 " pdbres="RBF T 301 " Chain: "U" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE U 265 " pdbres="RBF U 301 " Chain: "V" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE V 265 " pdbres="RBF V 301 " Chain: "W" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE W 265 " pdbres="RBF W 301 " Chain: "X" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE X 265 " pdbres="RBF X 301 " Chain: "Y" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE Y 265 " pdbres="RBF Y 301 " Chain: "Z" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE Z 265 " pdbres="RBF Z 301 " Chain: "0" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE 0 265 " pdbres="RBF 0 301 " Chain: "1" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE 1 265 " pdbres="RBF 1 301 " Chain: "2" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE 2 265 " pdbres="RBF 2 301 " Chain: "3" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE 3 265 " pdbres="RBF 3 301 " Chain: "4" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE 4 265 " pdbres="RBF 4 301 " Chain: "5" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE 5 265 " pdbres="RBF 5 301 " Chain: "6" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE 6 265 " pdbres="RBF 6 301 " Chain: "7" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE 7 265 " pdbres="RBF 7 301 " Chain: "8" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE 8 265 " pdbres="RBF 8 301 " Chain: "9" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE 9 265 " pdbres="RBF 9 301 " Chain: "a" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE a 265 " pdbres="RBF a 301 " Chain: "b" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE b 265 " pdbres="RBF b 301 " Chain: "c" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE c 265 " pdbres="RBF c 301 " Chain: "d" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE d 265 " pdbres="RBF d 301 " Chain: "e" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE e 265 " pdbres="RBF e 301 " Chain: "f" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE f 265 " pdbres="RBF f 301 " Chain: "g" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE g 265 " pdbres="RBF g 301 " Chain: "h" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE h 265 " pdbres="RBF h 301 " Chain: "i" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE i 265 " pdbres="RBF i 301 " Chain: "j" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE j 265 " pdbres="RBF j 301 " Chain: "k" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE k 265 " pdbres="RBF k 301 " Chain: "l" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE l 265 " pdbres="RBF l 301 " Chain: "m" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE m 265 " pdbres="RBF m 301 " Chain: "n" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE n 265 " pdbres="RBF n 301 " Chain: "o" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE o 265 " pdbres="RBF o 301 " Chain: "p" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE p 265 " pdbres="RBF p 301 " Chain: "q" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE q 265 " pdbres="RBF q 301 " Chain: "r" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE r 265 " pdbres="RBF r 301 " Chain: "s" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE s 265 " pdbres="RBF s 301 " Chain: "t" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE t 265 " pdbres="RBF t 301 " Chain: "u" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE u 265 " pdbres="RBF u 301 " Chain: "v" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE v 265 " pdbres="RBF v 301 " Chain: "w" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE w 265 " pdbres="RBF w 301 " Chain: "x" Number of atoms: 2180 Number of conformers: 1 Conformer: "" Number of residues, atoms: 266, 2180 Unusual residues: {'RBF': 1} Classifications: {'peptide': 265, 'undetermined': 1} Link IDs: {'PTRANS': 10, 'TRANS': 254, None: 1} Not linked: pdbres="PHE x 265 " pdbres="RBF x 301 " Time building chain proxies: 47.92, per 1000 atoms: 0.37 Number of scatterers: 130800 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 24840 8.00 N 21840 7.00 C 83880 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: 28.34 Conformation dependent library (CDL) restraints added in 15.6 seconds 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 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: 360 helices and 180 sheets defined 35.8% alpha, 27.9% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 29.23 Creating SS restraints... Processing helix chain 'A' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG A 22 " --> pdb=" O GLU A 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA A 23 " --> pdb=" O ILE A 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG A 24 " --> pdb=" O ASP A 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU A 25 " --> pdb=" O ASN A 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE A 26 " --> pdb=" O ARG A 22 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR A 29 " --> pdb=" O GLU A 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU A 31 " --> pdb=" O PHE A 27 " (cutoff:3.500A) Processing helix chain 'A' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN A 91 " --> pdb=" O TRP A 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU A 92 " --> pdb=" O GLU A 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU A 93 " --> pdb=" O LEU A 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG A 94 " --> pdb=" O ASP A 90 " (cutoff:3.500A) Processing helix chain 'A' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU A 105 " --> pdb=" O LEU A 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE A 114 " --> pdb=" O LYS A 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU A 115 " --> pdb=" O VAL A 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP A 116 " --> pdb=" O ALA A 112 " (cutoff:3.500A) Processing helix chain 'A' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU A 148 " --> pdb=" O THR A 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU A 149 " --> pdb=" O PRO A 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL A 153 " --> pdb=" O LEU A 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER A 157 " --> pdb=" O VAL A 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE A 158 " --> pdb=" O ARG A 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP A 162 " --> pdb=" O ILE A 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY A 163 " --> pdb=" O PHE A 159 " (cutoff:3.500A) Processing helix chain 'A' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP A 177 " --> pdb=" O ASN A 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU A 184 " --> pdb=" O PHE A 180 " (cutoff:3.500A) Processing helix chain 'A' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG A 193 " --> pdb=" O PRO A 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS A 197 " --> pdb=" O ARG A 193 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU A 198 " --> pdb=" O VAL A 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG A 199 " --> pdb=" O GLU A 195 " (cutoff:3.500A) Processing helix chain 'B' and resid 12 through 31 removed outlier: 3.830A pdb=" N ARG B 22 " --> pdb=" O GLU B 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA B 23 " --> pdb=" O ILE B 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG B 24 " --> pdb=" O ASP B 20 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N GLU B 25 " --> pdb=" O ASN B 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE B 26 " --> pdb=" O ARG B 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR B 29 " --> pdb=" O GLU B 25 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU B 31 " --> pdb=" O PHE B 27 " (cutoff:3.500A) Processing helix chain 'B' and resid 85 through 95 removed outlier: 3.838A pdb=" N ASN B 91 " --> pdb=" O TRP B 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU B 92 " --> pdb=" O GLU B 88 " (cutoff:3.500A) removed outlier: 5.108A pdb=" N GLU B 93 " --> pdb=" O LEU B 89 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ARG B 94 " --> pdb=" O ASP B 90 " (cutoff:3.500A) Processing helix chain 'B' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU B 105 " --> pdb=" O LEU B 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE B 114 " --> pdb=" O LYS B 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU B 115 " --> pdb=" O VAL B 111 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N ASP B 116 " --> pdb=" O ALA B 112 " (cutoff:3.500A) Processing helix chain 'B' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU B 148 " --> pdb=" O THR B 144 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N LEU B 149 " --> pdb=" O PRO B 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL B 153 " --> pdb=" O LEU B 149 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N SER B 157 " --> pdb=" O VAL B 153 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N ILE B 158 " --> pdb=" O ARG B 154 " (cutoff:3.500A) removed outlier: 3.844A pdb=" N ASP B 162 " --> pdb=" O ILE B 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY B 163 " --> pdb=" O PHE B 159 " (cutoff:3.500A) Processing helix chain 'B' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP B 177 " --> pdb=" O ASN B 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU B 184 " --> pdb=" O PHE B 180 " (cutoff:3.500A) Processing helix chain 'B' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG B 193 " --> pdb=" O PRO B 189 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N CYS B 197 " --> pdb=" O ARG B 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU B 198 " --> pdb=" O VAL B 194 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ARG B 199 " --> pdb=" O GLU B 195 " (cutoff:3.500A) Processing helix chain 'C' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG C 22 " --> pdb=" O GLU C 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA C 23 " --> pdb=" O ILE C 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG C 24 " --> pdb=" O ASP C 20 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N GLU C 25 " --> pdb=" O ASN C 21 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N ILE C 26 " --> pdb=" O ARG C 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR C 29 " --> pdb=" O GLU C 25 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU C 31 " --> pdb=" O PHE C 27 " (cutoff:3.500A) Processing helix chain 'C' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN C 91 " --> pdb=" O TRP C 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU C 92 " --> pdb=" O GLU C 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU C 93 " --> pdb=" O LEU C 89 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ARG C 94 " --> pdb=" O ASP C 90 " (cutoff:3.500A) Processing helix chain 'C' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU C 105 " --> pdb=" O LEU C 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE C 114 " --> pdb=" O LYS C 110 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N GLU C 115 " --> pdb=" O VAL C 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP C 116 " --> pdb=" O ALA C 112 " (cutoff:3.500A) Processing helix chain 'C' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU C 148 " --> pdb=" O THR C 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU C 149 " --> pdb=" O PRO C 145 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N VAL C 153 " --> pdb=" O LEU C 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER C 157 " --> pdb=" O VAL C 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE C 158 " --> pdb=" O ARG C 154 " (cutoff:3.500A) removed outlier: 3.844A pdb=" N ASP C 162 " --> pdb=" O ILE C 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY C 163 " --> pdb=" O PHE C 159 " (cutoff:3.500A) Processing helix chain 'C' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP C 177 " --> pdb=" O ASN C 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU C 184 " --> pdb=" O PHE C 180 " (cutoff:3.500A) Processing helix chain 'C' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG C 193 " --> pdb=" O PRO C 189 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N CYS C 197 " --> pdb=" O ARG C 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU C 198 " --> pdb=" O VAL C 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG C 199 " --> pdb=" O GLU C 195 " (cutoff:3.500A) Processing helix chain 'D' and resid 12 through 31 removed outlier: 3.830A pdb=" N ARG D 22 " --> pdb=" O GLU D 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA D 23 " --> pdb=" O ILE D 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG D 24 " --> pdb=" O ASP D 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU D 25 " --> pdb=" O ASN D 21 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N ILE D 26 " --> pdb=" O ARG D 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR D 29 " --> pdb=" O GLU D 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU D 31 " --> pdb=" O PHE D 27 " (cutoff:3.500A) Processing helix chain 'D' and resid 85 through 95 removed outlier: 3.838A pdb=" N ASN D 91 " --> pdb=" O TRP D 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU D 92 " --> pdb=" O GLU D 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU D 93 " --> pdb=" O LEU D 89 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ARG D 94 " --> pdb=" O ASP D 90 " (cutoff:3.500A) Processing helix chain 'D' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU D 105 " --> pdb=" O LEU D 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE D 114 " --> pdb=" O LYS D 110 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLU D 115 " --> pdb=" O VAL D 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP D 116 " --> pdb=" O ALA D 112 " (cutoff:3.500A) Processing helix chain 'D' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU D 148 " --> pdb=" O THR D 144 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N LEU D 149 " --> pdb=" O PRO D 145 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N VAL D 153 " --> pdb=" O LEU D 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER D 157 " --> pdb=" O VAL D 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE D 158 " --> pdb=" O ARG D 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP D 162 " --> pdb=" O ILE D 158 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLY D 163 " --> pdb=" O PHE D 159 " (cutoff:3.500A) Processing helix chain 'D' and resid 173 through 184 removed outlier: 4.127A pdb=" N TRP D 177 " --> pdb=" O ASN D 173 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N GLU D 184 " --> pdb=" O PHE D 180 " (cutoff:3.500A) Processing helix chain 'D' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG D 193 " --> pdb=" O PRO D 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS D 197 " --> pdb=" O ARG D 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU D 198 " --> pdb=" O VAL D 194 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ARG D 199 " --> pdb=" O GLU D 195 " (cutoff:3.500A) Processing helix chain 'E' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG E 22 " --> pdb=" O GLU E 18 " (cutoff:3.500A) removed outlier: 4.071A pdb=" N ALA E 23 " --> pdb=" O ILE E 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG E 24 " --> pdb=" O ASP E 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU E 25 " --> pdb=" O ASN E 21 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N ILE E 26 " --> pdb=" O ARG E 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR E 29 " --> pdb=" O GLU E 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU E 31 " --> pdb=" O PHE E 27 " (cutoff:3.500A) Processing helix chain 'E' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN E 91 " --> pdb=" O TRP E 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU E 92 " --> pdb=" O GLU E 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU E 93 " --> pdb=" O LEU E 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG E 94 " --> pdb=" O ASP E 90 " (cutoff:3.500A) Processing helix chain 'E' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU E 105 " --> pdb=" O LEU E 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE E 114 " --> pdb=" O LYS E 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU E 115 " --> pdb=" O VAL E 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP E 116 " --> pdb=" O ALA E 112 " (cutoff:3.500A) Processing helix chain 'E' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU E 148 " --> pdb=" O THR E 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU E 149 " --> pdb=" O PRO E 145 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N VAL E 153 " --> pdb=" O LEU E 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER E 157 " --> pdb=" O VAL E 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE E 158 " --> pdb=" O ARG E 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP E 162 " --> pdb=" O ILE E 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY E 163 " --> pdb=" O PHE E 159 " (cutoff:3.500A) Processing helix chain 'E' and resid 173 through 184 removed outlier: 4.127A pdb=" N TRP E 177 " --> pdb=" O ASN E 173 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N GLU E 184 " --> pdb=" O PHE E 180 " (cutoff:3.500A) Processing helix chain 'E' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG E 193 " --> pdb=" O PRO E 189 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N CYS E 197 " --> pdb=" O ARG E 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU E 198 " --> pdb=" O VAL E 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG E 199 " --> pdb=" O GLU E 195 " (cutoff:3.500A) Processing helix chain 'F' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG F 22 " --> pdb=" O GLU F 18 " (cutoff:3.500A) removed outlier: 4.071A pdb=" N ALA F 23 " --> pdb=" O ILE F 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG F 24 " --> pdb=" O ASP F 20 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N GLU F 25 " --> pdb=" O ASN F 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE F 26 " --> pdb=" O ARG F 22 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR F 29 " --> pdb=" O GLU F 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU F 31 " --> pdb=" O PHE F 27 " (cutoff:3.500A) Processing helix chain 'F' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN F 91 " --> pdb=" O TRP F 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU F 92 " --> pdb=" O GLU F 88 " (cutoff:3.500A) removed outlier: 5.108A pdb=" N GLU F 93 " --> pdb=" O LEU F 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG F 94 " --> pdb=" O ASP F 90 " (cutoff:3.500A) Processing helix chain 'F' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU F 105 " --> pdb=" O LEU F 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE F 114 " --> pdb=" O LYS F 110 " (cutoff:3.500A) removed outlier: 3.949A pdb=" N GLU F 115 " --> pdb=" O VAL F 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP F 116 " --> pdb=" O ALA F 112 " (cutoff:3.500A) Processing helix chain 'F' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU F 148 " --> pdb=" O THR F 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU F 149 " --> pdb=" O PRO F 145 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N VAL F 153 " --> pdb=" O LEU F 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER F 157 " --> pdb=" O VAL F 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE F 158 " --> pdb=" O ARG F 154 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ASP F 162 " --> pdb=" O ILE F 158 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLY F 163 " --> pdb=" O PHE F 159 " (cutoff:3.500A) Processing helix chain 'F' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP F 177 " --> pdb=" O ASN F 173 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N GLU F 184 " --> pdb=" O PHE F 180 " (cutoff:3.500A) Processing helix chain 'F' and resid 189 through 199 removed outlier: 3.521A pdb=" N ARG F 193 " --> pdb=" O PRO F 189 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N CYS F 197 " --> pdb=" O ARG F 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU F 198 " --> pdb=" O VAL F 194 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ARG F 199 " --> pdb=" O GLU F 195 " (cutoff:3.500A) Processing helix chain 'G' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG G 22 " --> pdb=" O GLU G 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA G 23 " --> pdb=" O ILE G 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG G 24 " --> pdb=" O ASP G 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU G 25 " --> pdb=" O ASN G 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE G 26 " --> pdb=" O ARG G 22 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR G 29 " --> pdb=" O GLU G 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU G 31 " --> pdb=" O PHE G 27 " (cutoff:3.500A) Processing helix chain 'G' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN G 91 " --> pdb=" O TRP G 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU G 92 " --> pdb=" O GLU G 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU G 93 " --> pdb=" O LEU G 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG G 94 " --> pdb=" O ASP G 90 " (cutoff:3.500A) Processing helix chain 'G' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU G 105 " --> pdb=" O LEU G 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE G 114 " --> pdb=" O LYS G 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU G 115 " --> pdb=" O VAL G 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP G 116 " --> pdb=" O ALA G 112 " (cutoff:3.500A) Processing helix chain 'G' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU G 148 " --> pdb=" O THR G 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU G 149 " --> pdb=" O PRO G 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL G 153 " --> pdb=" O LEU G 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER G 157 " --> pdb=" O VAL G 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE G 158 " --> pdb=" O ARG G 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP G 162 " --> pdb=" O ILE G 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY G 163 " --> pdb=" O PHE G 159 " (cutoff:3.500A) Processing helix chain 'G' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP G 177 " --> pdb=" O ASN G 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU G 184 " --> pdb=" O PHE G 180 " (cutoff:3.500A) Processing helix chain 'G' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG G 193 " --> pdb=" O PRO G 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS G 197 " --> pdb=" O ARG G 193 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU G 198 " --> pdb=" O VAL G 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG G 199 " --> pdb=" O GLU G 195 " (cutoff:3.500A) Processing helix chain 'H' and resid 12 through 31 removed outlier: 3.830A pdb=" N ARG H 22 " --> pdb=" O GLU H 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA H 23 " --> pdb=" O ILE H 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG H 24 " --> pdb=" O ASP H 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU H 25 " --> pdb=" O ASN H 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE H 26 " --> pdb=" O ARG H 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR H 29 " --> pdb=" O GLU H 25 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LEU H 31 " --> pdb=" O PHE H 27 " (cutoff:3.500A) Processing helix chain 'H' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN H 91 " --> pdb=" O TRP H 87 " (cutoff:3.500A) removed outlier: 4.894A pdb=" N LEU H 92 " --> pdb=" O GLU H 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU H 93 " --> pdb=" O LEU H 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG H 94 " --> pdb=" O ASP H 90 " (cutoff:3.500A) Processing helix chain 'H' and resid 101 through 121 removed outlier: 3.691A pdb=" N GLU H 105 " --> pdb=" O LEU H 101 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N PHE H 114 " --> pdb=" O LYS H 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU H 115 " --> pdb=" O VAL H 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP H 116 " --> pdb=" O ALA H 112 " (cutoff:3.500A) Processing helix chain 'H' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU H 148 " --> pdb=" O THR H 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU H 149 " --> pdb=" O PRO H 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL H 153 " --> pdb=" O LEU H 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER H 157 " --> pdb=" O VAL H 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE H 158 " --> pdb=" O ARG H 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP H 162 " --> pdb=" O ILE H 158 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLY H 163 " --> pdb=" O PHE H 159 " (cutoff:3.500A) Processing helix chain 'H' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP H 177 " --> pdb=" O ASN H 173 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N GLU H 184 " --> pdb=" O PHE H 180 " (cutoff:3.500A) Processing helix chain 'H' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG H 193 " --> pdb=" O PRO H 189 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N CYS H 197 " --> pdb=" O ARG H 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU H 198 " --> pdb=" O VAL H 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG H 199 " --> pdb=" O GLU H 195 " (cutoff:3.500A) Processing helix chain 'I' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG I 22 " --> pdb=" O GLU I 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA I 23 " --> pdb=" O ILE I 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG I 24 " --> pdb=" O ASP I 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU I 25 " --> pdb=" O ASN I 21 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N ILE I 26 " --> pdb=" O ARG I 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR I 29 " --> pdb=" O GLU I 25 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU I 31 " --> pdb=" O PHE I 27 " (cutoff:3.500A) Processing helix chain 'I' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN I 91 " --> pdb=" O TRP I 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU I 92 " --> pdb=" O GLU I 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU I 93 " --> pdb=" O LEU I 89 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ARG I 94 " --> pdb=" O ASP I 90 " (cutoff:3.500A) Processing helix chain 'I' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU I 105 " --> pdb=" O LEU I 101 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N PHE I 114 " --> pdb=" O LYS I 110 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLU I 115 " --> pdb=" O VAL I 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP I 116 " --> pdb=" O ALA I 112 " (cutoff:3.500A) Processing helix chain 'I' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU I 148 " --> pdb=" O THR I 144 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N LEU I 149 " --> pdb=" O PRO I 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL I 153 " --> pdb=" O LEU I 149 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N SER I 157 " --> pdb=" O VAL I 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE I 158 " --> pdb=" O ARG I 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP I 162 " --> pdb=" O ILE I 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY I 163 " --> pdb=" O PHE I 159 " (cutoff:3.500A) Processing helix chain 'I' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP I 177 " --> pdb=" O ASN I 173 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N GLU I 184 " --> pdb=" O PHE I 180 " (cutoff:3.500A) Processing helix chain 'I' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG I 193 " --> pdb=" O PRO I 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS I 197 " --> pdb=" O ARG I 193 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU I 198 " --> pdb=" O VAL I 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG I 199 " --> pdb=" O GLU I 195 " (cutoff:3.500A) Processing helix chain 'J' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG J 22 " --> pdb=" O GLU J 18 " (cutoff:3.500A) removed outlier: 4.071A pdb=" N ALA J 23 " --> pdb=" O ILE J 19 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N ARG J 24 " --> pdb=" O ASP J 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU J 25 " --> pdb=" O ASN J 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE J 26 " --> pdb=" O ARG J 22 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR J 29 " --> pdb=" O GLU J 25 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU J 31 " --> pdb=" O PHE J 27 " (cutoff:3.500A) Processing helix chain 'J' and resid 85 through 95 removed outlier: 3.838A pdb=" N ASN J 91 " --> pdb=" O TRP J 87 " (cutoff:3.500A) removed outlier: 4.894A pdb=" N LEU J 92 " --> pdb=" O GLU J 88 " (cutoff:3.500A) removed outlier: 5.108A pdb=" N GLU J 93 " --> pdb=" O LEU J 89 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ARG J 94 " --> pdb=" O ASP J 90 " (cutoff:3.500A) Processing helix chain 'J' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU J 105 " --> pdb=" O LEU J 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE J 114 " --> pdb=" O LYS J 110 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N GLU J 115 " --> pdb=" O VAL J 111 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N ASP J 116 " --> pdb=" O ALA J 112 " (cutoff:3.500A) Processing helix chain 'J' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU J 148 " --> pdb=" O THR J 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU J 149 " --> pdb=" O PRO J 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL J 153 " --> pdb=" O LEU J 149 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N SER J 157 " --> pdb=" O VAL J 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE J 158 " --> pdb=" O ARG J 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP J 162 " --> pdb=" O ILE J 158 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLY J 163 " --> pdb=" O PHE J 159 " (cutoff:3.500A) Processing helix chain 'J' and resid 173 through 184 removed outlier: 4.125A pdb=" N TRP J 177 " --> pdb=" O ASN J 173 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N GLU J 184 " --> pdb=" O PHE J 180 " (cutoff:3.500A) Processing helix chain 'J' and resid 189 through 199 removed outlier: 3.521A pdb=" N ARG J 193 " --> pdb=" O PRO J 189 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N CYS J 197 " --> pdb=" O ARG J 193 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU J 198 " --> pdb=" O VAL J 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG J 199 " --> pdb=" O GLU J 195 " (cutoff:3.500A) Processing helix chain 'K' and resid 12 through 31 removed outlier: 3.830A pdb=" N ARG K 22 " --> pdb=" O GLU K 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA K 23 " --> pdb=" O ILE K 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG K 24 " --> pdb=" O ASP K 20 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N GLU K 25 " --> pdb=" O ASN K 21 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N ILE K 26 " --> pdb=" O ARG K 22 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR K 29 " --> pdb=" O GLU K 25 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU K 31 " --> pdb=" O PHE K 27 " (cutoff:3.500A) Processing helix chain 'K' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN K 91 " --> pdb=" O TRP K 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU K 92 " --> pdb=" O GLU K 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU K 93 " --> pdb=" O LEU K 89 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ARG K 94 " --> pdb=" O ASP K 90 " (cutoff:3.500A) Processing helix chain 'K' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU K 105 " --> pdb=" O LEU K 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE K 114 " --> pdb=" O LYS K 110 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N GLU K 115 " --> pdb=" O VAL K 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP K 116 " --> pdb=" O ALA K 112 " (cutoff:3.500A) Processing helix chain 'K' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU K 148 " --> pdb=" O THR K 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU K 149 " --> pdb=" O PRO K 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL K 153 " --> pdb=" O LEU K 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER K 157 " --> pdb=" O VAL K 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE K 158 " --> pdb=" O ARG K 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP K 162 " --> pdb=" O ILE K 158 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLY K 163 " --> pdb=" O PHE K 159 " (cutoff:3.500A) Processing helix chain 'K' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP K 177 " --> pdb=" O ASN K 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU K 184 " --> pdb=" O PHE K 180 " (cutoff:3.500A) Processing helix chain 'K' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG K 193 " --> pdb=" O PRO K 189 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N CYS K 197 " --> pdb=" O ARG K 193 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU K 198 " --> pdb=" O VAL K 194 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ARG K 199 " --> pdb=" O GLU K 195 " (cutoff:3.500A) Processing helix chain 'L' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG L 22 " --> pdb=" O GLU L 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA L 23 " --> pdb=" O ILE L 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG L 24 " --> pdb=" O ASP L 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU L 25 " --> pdb=" O ASN L 21 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N ILE L 26 " --> pdb=" O ARG L 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR L 29 " --> pdb=" O GLU L 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU L 31 " --> pdb=" O PHE L 27 " (cutoff:3.500A) Processing helix chain 'L' and resid 85 through 95 removed outlier: 3.838A pdb=" N ASN L 91 " --> pdb=" O TRP L 87 " (cutoff:3.500A) removed outlier: 4.894A pdb=" N LEU L 92 " --> pdb=" O GLU L 88 " (cutoff:3.500A) removed outlier: 5.108A pdb=" N GLU L 93 " --> pdb=" O LEU L 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG L 94 " --> pdb=" O ASP L 90 " (cutoff:3.500A) Processing helix chain 'L' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU L 105 " --> pdb=" O LEU L 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE L 114 " --> pdb=" O LYS L 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU L 115 " --> pdb=" O VAL L 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP L 116 " --> pdb=" O ALA L 112 " (cutoff:3.500A) Processing helix chain 'L' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU L 148 " --> pdb=" O THR L 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU L 149 " --> pdb=" O PRO L 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL L 153 " --> pdb=" O LEU L 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER L 157 " --> pdb=" O VAL L 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE L 158 " --> pdb=" O ARG L 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP L 162 " --> pdb=" O ILE L 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY L 163 " --> pdb=" O PHE L 159 " (cutoff:3.500A) Processing helix chain 'L' and resid 173 through 184 removed outlier: 4.127A pdb=" N TRP L 177 " --> pdb=" O ASN L 173 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N GLU L 184 " --> pdb=" O PHE L 180 " (cutoff:3.500A) Processing helix chain 'L' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG L 193 " --> pdb=" O PRO L 189 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N CYS L 197 " --> pdb=" O ARG L 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU L 198 " --> pdb=" O VAL L 194 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ARG L 199 " --> pdb=" O GLU L 195 " (cutoff:3.500A) Processing helix chain 'M' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG M 22 " --> pdb=" O GLU M 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA M 23 " --> pdb=" O ILE M 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG M 24 " --> pdb=" O ASP M 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU M 25 " --> pdb=" O ASN M 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE M 26 " --> pdb=" O ARG M 22 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR M 29 " --> pdb=" O GLU M 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU M 31 " --> pdb=" O PHE M 27 " (cutoff:3.500A) Processing helix chain 'M' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN M 91 " --> pdb=" O TRP M 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU M 92 " --> pdb=" O GLU M 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU M 93 " --> pdb=" O LEU M 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG M 94 " --> pdb=" O ASP M 90 " (cutoff:3.500A) Processing helix chain 'M' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU M 105 " --> pdb=" O LEU M 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE M 114 " --> pdb=" O LYS M 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU M 115 " --> pdb=" O VAL M 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP M 116 " --> pdb=" O ALA M 112 " (cutoff:3.500A) Processing helix chain 'M' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU M 148 " --> pdb=" O THR M 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU M 149 " --> pdb=" O PRO M 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL M 153 " --> pdb=" O LEU M 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER M 157 " --> pdb=" O VAL M 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE M 158 " --> pdb=" O ARG M 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP M 162 " --> pdb=" O ILE M 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY M 163 " --> pdb=" O PHE M 159 " (cutoff:3.500A) Processing helix chain 'M' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP M 177 " --> pdb=" O ASN M 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU M 184 " --> pdb=" O PHE M 180 " (cutoff:3.500A) Processing helix chain 'M' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG M 193 " --> pdb=" O PRO M 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS M 197 " --> pdb=" O ARG M 193 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU M 198 " --> pdb=" O VAL M 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG M 199 " --> pdb=" O GLU M 195 " (cutoff:3.500A) Processing helix chain 'N' and resid 12 through 31 removed outlier: 3.830A pdb=" N ARG N 22 " --> pdb=" O GLU N 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA N 23 " --> pdb=" O ILE N 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG N 24 " --> pdb=" O ASP N 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU N 25 " --> pdb=" O ASN N 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE N 26 " --> pdb=" O ARG N 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR N 29 " --> pdb=" O GLU N 25 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU N 31 " --> pdb=" O PHE N 27 " (cutoff:3.500A) Processing helix chain 'N' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN N 91 " --> pdb=" O TRP N 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU N 92 " --> pdb=" O GLU N 88 " (cutoff:3.500A) removed outlier: 5.108A pdb=" N GLU N 93 " --> pdb=" O LEU N 89 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ARG N 94 " --> pdb=" O ASP N 90 " (cutoff:3.500A) Processing helix chain 'N' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU N 105 " --> pdb=" O LEU N 101 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N PHE N 114 " --> pdb=" O LYS N 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU N 115 " --> pdb=" O VAL N 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP N 116 " --> pdb=" O ALA N 112 " (cutoff:3.500A) Processing helix chain 'N' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU N 148 " --> pdb=" O THR N 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU N 149 " --> pdb=" O PRO N 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL N 153 " --> pdb=" O LEU N 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER N 157 " --> pdb=" O VAL N 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE N 158 " --> pdb=" O ARG N 154 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ASP N 162 " --> pdb=" O ILE N 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY N 163 " --> pdb=" O PHE N 159 " (cutoff:3.500A) Processing helix chain 'N' and resid 173 through 184 removed outlier: 4.127A pdb=" N TRP N 177 " --> pdb=" O ASN N 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU N 184 " --> pdb=" O PHE N 180 " (cutoff:3.500A) Processing helix chain 'N' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG N 193 " --> pdb=" O PRO N 189 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N CYS N 197 " --> pdb=" O ARG N 193 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU N 198 " --> pdb=" O VAL N 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG N 199 " --> pdb=" O GLU N 195 " (cutoff:3.500A) Processing helix chain 'O' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG O 22 " --> pdb=" O GLU O 18 " (cutoff:3.500A) removed outlier: 4.071A pdb=" N ALA O 23 " --> pdb=" O ILE O 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG O 24 " --> pdb=" O ASP O 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU O 25 " --> pdb=" O ASN O 21 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N ILE O 26 " --> pdb=" O ARG O 22 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR O 29 " --> pdb=" O GLU O 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU O 31 " --> pdb=" O PHE O 27 " (cutoff:3.500A) Processing helix chain 'O' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN O 91 " --> pdb=" O TRP O 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU O 92 " --> pdb=" O GLU O 88 " (cutoff:3.500A) removed outlier: 5.110A pdb=" N GLU O 93 " --> pdb=" O LEU O 89 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ARG O 94 " --> pdb=" O ASP O 90 " (cutoff:3.500A) Processing helix chain 'O' and resid 101 through 121 removed outlier: 3.693A pdb=" N GLU O 105 " --> pdb=" O LEU O 101 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N PHE O 114 " --> pdb=" O LYS O 110 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N GLU O 115 " --> pdb=" O VAL O 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP O 116 " --> pdb=" O ALA O 112 " (cutoff:3.500A) Processing helix chain 'O' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU O 148 " --> pdb=" O THR O 144 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N LEU O 149 " --> pdb=" O PRO O 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL O 153 " --> pdb=" O LEU O 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER O 157 " --> pdb=" O VAL O 153 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N ILE O 158 " --> pdb=" O ARG O 154 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ASP O 162 " --> pdb=" O ILE O 158 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLY O 163 " --> pdb=" O PHE O 159 " (cutoff:3.500A) Processing helix chain 'O' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP O 177 " --> pdb=" O ASN O 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU O 184 " --> pdb=" O PHE O 180 " (cutoff:3.500A) Processing helix chain 'O' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG O 193 " --> pdb=" O PRO O 189 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N CYS O 197 " --> pdb=" O ARG O 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU O 198 " --> pdb=" O VAL O 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG O 199 " --> pdb=" O GLU O 195 " (cutoff:3.500A) Processing helix chain 'P' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG P 22 " --> pdb=" O GLU P 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA P 23 " --> pdb=" O ILE P 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG P 24 " --> pdb=" O ASP P 20 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N GLU P 25 " --> pdb=" O ASN P 21 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N ILE P 26 " --> pdb=" O ARG P 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR P 29 " --> pdb=" O GLU P 25 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU P 31 " --> pdb=" O PHE P 27 " (cutoff:3.500A) Processing helix chain 'P' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN P 91 " --> pdb=" O TRP P 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU P 92 " --> pdb=" O GLU P 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU P 93 " --> pdb=" O LEU P 89 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ARG P 94 " --> pdb=" O ASP P 90 " (cutoff:3.500A) Processing helix chain 'P' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU P 105 " --> pdb=" O LEU P 101 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N PHE P 114 " --> pdb=" O LYS P 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU P 115 " --> pdb=" O VAL P 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP P 116 " --> pdb=" O ALA P 112 " (cutoff:3.500A) Processing helix chain 'P' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU P 148 " --> pdb=" O THR P 144 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N LEU P 149 " --> pdb=" O PRO P 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL P 153 " --> pdb=" O LEU P 149 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N SER P 157 " --> pdb=" O VAL P 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE P 158 " --> pdb=" O ARG P 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP P 162 " --> pdb=" O ILE P 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY P 163 " --> pdb=" O PHE P 159 " (cutoff:3.500A) Processing helix chain 'P' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP P 177 " --> pdb=" O ASN P 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU P 184 " --> pdb=" O PHE P 180 " (cutoff:3.500A) Processing helix chain 'P' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG P 193 " --> pdb=" O PRO P 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS P 197 " --> pdb=" O ARG P 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU P 198 " --> pdb=" O VAL P 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG P 199 " --> pdb=" O GLU P 195 " (cutoff:3.500A) Processing helix chain 'Q' and resid 12 through 31 removed outlier: 3.830A pdb=" N ARG Q 22 " --> pdb=" O GLU Q 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA Q 23 " --> pdb=" O ILE Q 19 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N ARG Q 24 " --> pdb=" O ASP Q 20 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N GLU Q 25 " --> pdb=" O ASN Q 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE Q 26 " --> pdb=" O ARG Q 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR Q 29 " --> pdb=" O GLU Q 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU Q 31 " --> pdb=" O PHE Q 27 " (cutoff:3.500A) Processing helix chain 'Q' and resid 85 through 95 removed outlier: 3.838A pdb=" N ASN Q 91 " --> pdb=" O TRP Q 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU Q 92 " --> pdb=" O GLU Q 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU Q 93 " --> pdb=" O LEU Q 89 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ARG Q 94 " --> pdb=" O ASP Q 90 " (cutoff:3.500A) Processing helix chain 'Q' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU Q 105 " --> pdb=" O LEU Q 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE Q 114 " --> pdb=" O LYS Q 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU Q 115 " --> pdb=" O VAL Q 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP Q 116 " --> pdb=" O ALA Q 112 " (cutoff:3.500A) Processing helix chain 'Q' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU Q 148 " --> pdb=" O THR Q 144 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N LEU Q 149 " --> pdb=" O PRO Q 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL Q 153 " --> pdb=" O LEU Q 149 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N SER Q 157 " --> pdb=" O VAL Q 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE Q 158 " --> pdb=" O ARG Q 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP Q 162 " --> pdb=" O ILE Q 158 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLY Q 163 " --> pdb=" O PHE Q 159 " (cutoff:3.500A) Processing helix chain 'Q' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP Q 177 " --> pdb=" O ASN Q 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU Q 184 " --> pdb=" O PHE Q 180 " (cutoff:3.500A) Processing helix chain 'Q' and resid 189 through 199 removed outlier: 3.521A pdb=" N ARG Q 193 " --> pdb=" O PRO Q 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS Q 197 " --> pdb=" O ARG Q 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU Q 198 " --> pdb=" O VAL Q 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG Q 199 " --> pdb=" O GLU Q 195 " (cutoff:3.500A) Processing helix chain 'R' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG R 22 " --> pdb=" O GLU R 18 " (cutoff:3.500A) removed outlier: 4.072A pdb=" N ALA R 23 " --> pdb=" O ILE R 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG R 24 " --> pdb=" O ASP R 20 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N GLU R 25 " --> pdb=" O ASN R 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE R 26 " --> pdb=" O ARG R 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR R 29 " --> pdb=" O GLU R 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU R 31 " --> pdb=" O PHE R 27 " (cutoff:3.500A) Processing helix chain 'R' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN R 91 " --> pdb=" O TRP R 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU R 92 " --> pdb=" O GLU R 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU R 93 " --> pdb=" O LEU R 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG R 94 " --> pdb=" O ASP R 90 " (cutoff:3.500A) Processing helix chain 'R' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU R 105 " --> pdb=" O LEU R 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE R 114 " --> pdb=" O LYS R 110 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N GLU R 115 " --> pdb=" O VAL R 111 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N ASP R 116 " --> pdb=" O ALA R 112 " (cutoff:3.500A) Processing helix chain 'R' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU R 148 " --> pdb=" O THR R 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU R 149 " --> pdb=" O PRO R 145 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N VAL R 153 " --> pdb=" O LEU R 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER R 157 " --> pdb=" O VAL R 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE R 158 " --> pdb=" O ARG R 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP R 162 " --> pdb=" O ILE R 158 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLY R 163 " --> pdb=" O PHE R 159 " (cutoff:3.500A) Processing helix chain 'R' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP R 177 " --> pdb=" O ASN R 173 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N GLU R 184 " --> pdb=" O PHE R 180 " (cutoff:3.500A) Processing helix chain 'R' and resid 189 through 199 removed outlier: 3.521A pdb=" N ARG R 193 " --> pdb=" O PRO R 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS R 197 " --> pdb=" O ARG R 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU R 198 " --> pdb=" O VAL R 194 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ARG R 199 " --> pdb=" O GLU R 195 " (cutoff:3.500A) Processing helix chain 'S' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG S 22 " --> pdb=" O GLU S 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA S 23 " --> pdb=" O ILE S 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG S 24 " --> pdb=" O ASP S 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU S 25 " --> pdb=" O ASN S 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE S 26 " --> pdb=" O ARG S 22 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR S 29 " --> pdb=" O GLU S 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU S 31 " --> pdb=" O PHE S 27 " (cutoff:3.500A) Processing helix chain 'S' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN S 91 " --> pdb=" O TRP S 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU S 92 " --> pdb=" O GLU S 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU S 93 " --> pdb=" O LEU S 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG S 94 " --> pdb=" O ASP S 90 " (cutoff:3.500A) Processing helix chain 'S' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU S 105 " --> pdb=" O LEU S 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE S 114 " --> pdb=" O LYS S 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU S 115 " --> pdb=" O VAL S 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP S 116 " --> pdb=" O ALA S 112 " (cutoff:3.500A) Processing helix chain 'S' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU S 148 " --> pdb=" O THR S 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU S 149 " --> pdb=" O PRO S 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL S 153 " --> pdb=" O LEU S 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER S 157 " --> pdb=" O VAL S 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE S 158 " --> pdb=" O ARG S 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP S 162 " --> pdb=" O ILE S 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY S 163 " --> pdb=" O PHE S 159 " (cutoff:3.500A) Processing helix chain 'S' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP S 177 " --> pdb=" O ASN S 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU S 184 " --> pdb=" O PHE S 180 " (cutoff:3.500A) Processing helix chain 'S' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG S 193 " --> pdb=" O PRO S 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS S 197 " --> pdb=" O ARG S 193 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU S 198 " --> pdb=" O VAL S 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG S 199 " --> pdb=" O GLU S 195 " (cutoff:3.500A) Processing helix chain 'T' and resid 12 through 31 removed outlier: 3.830A pdb=" N ARG T 22 " --> pdb=" O GLU T 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA T 23 " --> pdb=" O ILE T 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG T 24 " --> pdb=" O ASP T 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU T 25 " --> pdb=" O ASN T 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE T 26 " --> pdb=" O ARG T 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR T 29 " --> pdb=" O GLU T 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU T 31 " --> pdb=" O PHE T 27 " (cutoff:3.500A) Processing helix chain 'T' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN T 91 " --> pdb=" O TRP T 87 " (cutoff:3.500A) removed outlier: 4.894A pdb=" N LEU T 92 " --> pdb=" O GLU T 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU T 93 " --> pdb=" O LEU T 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG T 94 " --> pdb=" O ASP T 90 " (cutoff:3.500A) Processing helix chain 'T' and resid 101 through 121 removed outlier: 3.691A pdb=" N GLU T 105 " --> pdb=" O LEU T 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE T 114 " --> pdb=" O LYS T 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU T 115 " --> pdb=" O VAL T 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP T 116 " --> pdb=" O ALA T 112 " (cutoff:3.500A) Processing helix chain 'T' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU T 148 " --> pdb=" O THR T 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU T 149 " --> pdb=" O PRO T 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL T 153 " --> pdb=" O LEU T 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER T 157 " --> pdb=" O VAL T 153 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N ILE T 158 " --> pdb=" O ARG T 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP T 162 " --> pdb=" O ILE T 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY T 163 " --> pdb=" O PHE T 159 " (cutoff:3.500A) Processing helix chain 'T' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP T 177 " --> pdb=" O ASN T 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU T 184 " --> pdb=" O PHE T 180 " (cutoff:3.500A) Processing helix chain 'T' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG T 193 " --> pdb=" O PRO T 189 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N CYS T 197 " --> pdb=" O ARG T 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU T 198 " --> pdb=" O VAL T 194 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ARG T 199 " --> pdb=" O GLU T 195 " (cutoff:3.500A) Processing helix chain 'U' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG U 22 " --> pdb=" O GLU U 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA U 23 " --> pdb=" O ILE U 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG U 24 " --> pdb=" O ASP U 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU U 25 " --> pdb=" O ASN U 21 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N ILE U 26 " --> pdb=" O ARG U 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR U 29 " --> pdb=" O GLU U 25 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU U 31 " --> pdb=" O PHE U 27 " (cutoff:3.500A) Processing helix chain 'U' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN U 91 " --> pdb=" O TRP U 87 " (cutoff:3.500A) removed outlier: 4.894A pdb=" N LEU U 92 " --> pdb=" O GLU U 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU U 93 " --> pdb=" O LEU U 89 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ARG U 94 " --> pdb=" O ASP U 90 " (cutoff:3.500A) Processing helix chain 'U' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU U 105 " --> pdb=" O LEU U 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE U 114 " --> pdb=" O LYS U 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU U 115 " --> pdb=" O VAL U 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP U 116 " --> pdb=" O ALA U 112 " (cutoff:3.500A) Processing helix chain 'U' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU U 148 " --> pdb=" O THR U 144 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N LEU U 149 " --> pdb=" O PRO U 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL U 153 " --> pdb=" O LEU U 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER U 157 " --> pdb=" O VAL U 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE U 158 " --> pdb=" O ARG U 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP U 162 " --> pdb=" O ILE U 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY U 163 " --> pdb=" O PHE U 159 " (cutoff:3.500A) Processing helix chain 'U' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP U 177 " --> pdb=" O ASN U 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU U 184 " --> pdb=" O PHE U 180 " (cutoff:3.500A) Processing helix chain 'U' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG U 193 " --> pdb=" O PRO U 189 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N CYS U 197 " --> pdb=" O ARG U 193 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU U 198 " --> pdb=" O VAL U 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG U 199 " --> pdb=" O GLU U 195 " (cutoff:3.500A) Processing helix chain 'V' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG V 22 " --> pdb=" O GLU V 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA V 23 " --> pdb=" O ILE V 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG V 24 " --> pdb=" O ASP V 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU V 25 " --> pdb=" O ASN V 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE V 26 " --> pdb=" O ARG V 22 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR V 29 " --> pdb=" O GLU V 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU V 31 " --> pdb=" O PHE V 27 " (cutoff:3.500A) Processing helix chain 'V' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN V 91 " --> pdb=" O TRP V 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU V 92 " --> pdb=" O GLU V 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU V 93 " --> pdb=" O LEU V 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG V 94 " --> pdb=" O ASP V 90 " (cutoff:3.500A) Processing helix chain 'V' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU V 105 " --> pdb=" O LEU V 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE V 114 " --> pdb=" O LYS V 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU V 115 " --> pdb=" O VAL V 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP V 116 " --> pdb=" O ALA V 112 " (cutoff:3.500A) Processing helix chain 'V' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU V 148 " --> pdb=" O THR V 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU V 149 " --> pdb=" O PRO V 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL V 153 " --> pdb=" O LEU V 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER V 157 " --> pdb=" O VAL V 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE V 158 " --> pdb=" O ARG V 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP V 162 " --> pdb=" O ILE V 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY V 163 " --> pdb=" O PHE V 159 " (cutoff:3.500A) Processing helix chain 'V' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP V 177 " --> pdb=" O ASN V 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU V 184 " --> pdb=" O PHE V 180 " (cutoff:3.500A) Processing helix chain 'V' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG V 193 " --> pdb=" O PRO V 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS V 197 " --> pdb=" O ARG V 193 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU V 198 " --> pdb=" O VAL V 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG V 199 " --> pdb=" O GLU V 195 " (cutoff:3.500A) Processing helix chain 'W' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG W 22 " --> pdb=" O GLU W 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA W 23 " --> pdb=" O ILE W 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG W 24 " --> pdb=" O ASP W 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU W 25 " --> pdb=" O ASN W 21 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N ILE W 26 " --> pdb=" O ARG W 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR W 29 " --> pdb=" O GLU W 25 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU W 31 " --> pdb=" O PHE W 27 " (cutoff:3.500A) Processing helix chain 'W' and resid 85 through 95 removed outlier: 3.838A pdb=" N ASN W 91 " --> pdb=" O TRP W 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU W 92 " --> pdb=" O GLU W 88 " (cutoff:3.500A) removed outlier: 5.108A pdb=" N GLU W 93 " --> pdb=" O LEU W 89 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ARG W 94 " --> pdb=" O ASP W 90 " (cutoff:3.500A) Processing helix chain 'W' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU W 105 " --> pdb=" O LEU W 101 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N PHE W 114 " --> pdb=" O LYS W 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU W 115 " --> pdb=" O VAL W 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP W 116 " --> pdb=" O ALA W 112 " (cutoff:3.500A) Processing helix chain 'W' and resid 144 through 163 removed outlier: 3.903A pdb=" N LEU W 148 " --> pdb=" O THR W 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU W 149 " --> pdb=" O PRO W 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL W 153 " --> pdb=" O LEU W 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER W 157 " --> pdb=" O VAL W 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE W 158 " --> pdb=" O ARG W 154 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ASP W 162 " --> pdb=" O ILE W 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY W 163 " --> pdb=" O PHE W 159 " (cutoff:3.500A) Processing helix chain 'W' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP W 177 " --> pdb=" O ASN W 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU W 184 " --> pdb=" O PHE W 180 " (cutoff:3.500A) Processing helix chain 'W' and resid 189 through 199 removed outlier: 3.521A pdb=" N ARG W 193 " --> pdb=" O PRO W 189 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N CYS W 197 " --> pdb=" O ARG W 193 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU W 198 " --> pdb=" O VAL W 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG W 199 " --> pdb=" O GLU W 195 " (cutoff:3.500A) Processing helix chain 'X' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG X 22 " --> pdb=" O GLU X 18 " (cutoff:3.500A) removed outlier: 4.071A pdb=" N ALA X 23 " --> pdb=" O ILE X 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG X 24 " --> pdb=" O ASP X 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU X 25 " --> pdb=" O ASN X 21 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N ILE X 26 " --> pdb=" O ARG X 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR X 29 " --> pdb=" O GLU X 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU X 31 " --> pdb=" O PHE X 27 " (cutoff:3.500A) Processing helix chain 'X' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN X 91 " --> pdb=" O TRP X 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU X 92 " --> pdb=" O GLU X 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU X 93 " --> pdb=" O LEU X 89 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ARG X 94 " --> pdb=" O ASP X 90 " (cutoff:3.500A) Processing helix chain 'X' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU X 105 " --> pdb=" O LEU X 101 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N PHE X 114 " --> pdb=" O LYS X 110 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N GLU X 115 " --> pdb=" O VAL X 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP X 116 " --> pdb=" O ALA X 112 " (cutoff:3.500A) Processing helix chain 'X' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU X 148 " --> pdb=" O THR X 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU X 149 " --> pdb=" O PRO X 145 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N VAL X 153 " --> pdb=" O LEU X 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER X 157 " --> pdb=" O VAL X 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE X 158 " --> pdb=" O ARG X 154 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ASP X 162 " --> pdb=" O ILE X 158 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLY X 163 " --> pdb=" O PHE X 159 " (cutoff:3.500A) Processing helix chain 'X' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP X 177 " --> pdb=" O ASN X 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU X 184 " --> pdb=" O PHE X 180 " (cutoff:3.500A) Processing helix chain 'X' and resid 189 through 199 removed outlier: 3.521A pdb=" N ARG X 193 " --> pdb=" O PRO X 189 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N CYS X 197 " --> pdb=" O ARG X 193 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU X 198 " --> pdb=" O VAL X 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG X 199 " --> pdb=" O GLU X 195 " (cutoff:3.500A) Processing helix chain 'Y' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG Y 22 " --> pdb=" O GLU Y 18 " (cutoff:3.500A) removed outlier: 4.071A pdb=" N ALA Y 23 " --> pdb=" O ILE Y 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG Y 24 " --> pdb=" O ASP Y 20 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N GLU Y 25 " --> pdb=" O ASN Y 21 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N ILE Y 26 " --> pdb=" O ARG Y 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR Y 29 " --> pdb=" O GLU Y 25 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU Y 31 " --> pdb=" O PHE Y 27 " (cutoff:3.500A) Processing helix chain 'Y' and resid 85 through 95 removed outlier: 3.838A pdb=" N ASN Y 91 " --> pdb=" O TRP Y 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU Y 92 " --> pdb=" O GLU Y 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU Y 93 " --> pdb=" O LEU Y 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG Y 94 " --> pdb=" O ASP Y 90 " (cutoff:3.500A) Processing helix chain 'Y' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU Y 105 " --> pdb=" O LEU Y 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE Y 114 " --> pdb=" O LYS Y 110 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N GLU Y 115 " --> pdb=" O VAL Y 111 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N ASP Y 116 " --> pdb=" O ALA Y 112 " (cutoff:3.500A) Processing helix chain 'Y' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU Y 148 " --> pdb=" O THR Y 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU Y 149 " --> pdb=" O PRO Y 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL Y 153 " --> pdb=" O LEU Y 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER Y 157 " --> pdb=" O VAL Y 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE Y 158 " --> pdb=" O ARG Y 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP Y 162 " --> pdb=" O ILE Y 158 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLY Y 163 " --> pdb=" O PHE Y 159 " (cutoff:3.500A) Processing helix chain 'Y' and resid 173 through 184 removed outlier: 4.127A pdb=" N TRP Y 177 " --> pdb=" O ASN Y 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU Y 184 " --> pdb=" O PHE Y 180 " (cutoff:3.500A) Processing helix chain 'Y' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG Y 193 " --> pdb=" O PRO Y 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS Y 197 " --> pdb=" O ARG Y 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU Y 198 " --> pdb=" O VAL Y 194 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ARG Y 199 " --> pdb=" O GLU Y 195 " (cutoff:3.500A) Processing helix chain 'Z' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG Z 22 " --> pdb=" O GLU Z 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA Z 23 " --> pdb=" O ILE Z 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG Z 24 " --> pdb=" O ASP Z 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU Z 25 " --> pdb=" O ASN Z 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE Z 26 " --> pdb=" O ARG Z 22 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR Z 29 " --> pdb=" O GLU Z 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU Z 31 " --> pdb=" O PHE Z 27 " (cutoff:3.500A) Processing helix chain 'Z' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN Z 91 " --> pdb=" O TRP Z 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU Z 92 " --> pdb=" O GLU Z 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU Z 93 " --> pdb=" O LEU Z 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG Z 94 " --> pdb=" O ASP Z 90 " (cutoff:3.500A) Processing helix chain 'Z' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU Z 105 " --> pdb=" O LEU Z 101 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N PHE Z 114 " --> pdb=" O LYS Z 110 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N GLU Z 115 " --> pdb=" O VAL Z 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP Z 116 " --> pdb=" O ALA Z 112 " (cutoff:3.500A) Processing helix chain 'Z' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU Z 148 " --> pdb=" O THR Z 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU Z 149 " --> pdb=" O PRO Z 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL Z 153 " --> pdb=" O LEU Z 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER Z 157 " --> pdb=" O VAL Z 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE Z 158 " --> pdb=" O ARG Z 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP Z 162 " --> pdb=" O ILE Z 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY Z 163 " --> pdb=" O PHE Z 159 " (cutoff:3.500A) Processing helix chain 'Z' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP Z 177 " --> pdb=" O ASN Z 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU Z 184 " --> pdb=" O PHE Z 180 " (cutoff:3.500A) Processing helix chain 'Z' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG Z 193 " --> pdb=" O PRO Z 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS Z 197 " --> pdb=" O ARG Z 193 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU Z 198 " --> pdb=" O VAL Z 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG Z 199 " --> pdb=" O GLU Z 195 " (cutoff:3.500A) Processing helix chain '0' and resid 12 through 31 removed outlier: 3.832A pdb=" N ARG 0 22 " --> pdb=" O GLU 0 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA 0 23 " --> pdb=" O ILE 0 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG 0 24 " --> pdb=" O ASP 0 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU 0 25 " --> pdb=" O ASN 0 21 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N ILE 0 26 " --> pdb=" O ARG 0 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR 0 29 " --> pdb=" O GLU 0 25 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU 0 31 " --> pdb=" O PHE 0 27 " (cutoff:3.500A) Processing helix chain '0' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN 0 91 " --> pdb=" O TRP 0 87 " (cutoff:3.500A) removed outlier: 4.894A pdb=" N LEU 0 92 " --> pdb=" O GLU 0 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU 0 93 " --> pdb=" O LEU 0 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG 0 94 " --> pdb=" O ASP 0 90 " (cutoff:3.500A) Processing helix chain '0' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU 0 105 " --> pdb=" O LEU 0 101 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N PHE 0 114 " --> pdb=" O LYS 0 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU 0 115 " --> pdb=" O VAL 0 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP 0 116 " --> pdb=" O ALA 0 112 " (cutoff:3.500A) Processing helix chain '0' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU 0 148 " --> pdb=" O THR 0 144 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N LEU 0 149 " --> pdb=" O PRO 0 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL 0 153 " --> pdb=" O LEU 0 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER 0 157 " --> pdb=" O VAL 0 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE 0 158 " --> pdb=" O ARG 0 154 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ASP 0 162 " --> pdb=" O ILE 0 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY 0 163 " --> pdb=" O PHE 0 159 " (cutoff:3.500A) Processing helix chain '0' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP 0 177 " --> pdb=" O ASN 0 173 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N GLU 0 184 " --> pdb=" O PHE 0 180 " (cutoff:3.500A) Processing helix chain '0' and resid 189 through 199 removed outlier: 3.521A pdb=" N ARG 0 193 " --> pdb=" O PRO 0 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS 0 197 " --> pdb=" O ARG 0 193 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU 0 198 " --> pdb=" O VAL 0 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG 0 199 " --> pdb=" O GLU 0 195 " (cutoff:3.500A) Processing helix chain '1' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG 1 22 " --> pdb=" O GLU 1 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA 1 23 " --> pdb=" O ILE 1 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG 1 24 " --> pdb=" O ASP 1 20 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N GLU 1 25 " --> pdb=" O ASN 1 21 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N ILE 1 26 " --> pdb=" O ARG 1 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR 1 29 " --> pdb=" O GLU 1 25 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU 1 31 " --> pdb=" O PHE 1 27 " (cutoff:3.500A) Processing helix chain '1' and resid 85 through 95 removed outlier: 3.838A pdb=" N ASN 1 91 " --> pdb=" O TRP 1 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU 1 92 " --> pdb=" O GLU 1 88 " (cutoff:3.500A) removed outlier: 5.108A pdb=" N GLU 1 93 " --> pdb=" O LEU 1 89 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ARG 1 94 " --> pdb=" O ASP 1 90 " (cutoff:3.500A) Processing helix chain '1' and resid 101 through 121 removed outlier: 3.691A pdb=" N GLU 1 105 " --> pdb=" O LEU 1 101 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N PHE 1 114 " --> pdb=" O LYS 1 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU 1 115 " --> pdb=" O VAL 1 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP 1 116 " --> pdb=" O ALA 1 112 " (cutoff:3.500A) Processing helix chain '1' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU 1 148 " --> pdb=" O THR 1 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU 1 149 " --> pdb=" O PRO 1 145 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N VAL 1 153 " --> pdb=" O LEU 1 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER 1 157 " --> pdb=" O VAL 1 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE 1 158 " --> pdb=" O ARG 1 154 " (cutoff:3.500A) removed outlier: 3.844A pdb=" N ASP 1 162 " --> pdb=" O ILE 1 158 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLY 1 163 " --> pdb=" O PHE 1 159 " (cutoff:3.500A) Processing helix chain '1' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP 1 177 " --> pdb=" O ASN 1 173 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N GLU 1 184 " --> pdb=" O PHE 1 180 " (cutoff:3.500A) Processing helix chain '1' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG 1 193 " --> pdb=" O PRO 1 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS 1 197 " --> pdb=" O ARG 1 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU 1 198 " --> pdb=" O VAL 1 194 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ARG 1 199 " --> pdb=" O GLU 1 195 " (cutoff:3.500A) Processing helix chain '2' and resid 12 through 31 removed outlier: 3.830A pdb=" N ARG 2 22 " --> pdb=" O GLU 2 18 " (cutoff:3.500A) removed outlier: 4.071A pdb=" N ALA 2 23 " --> pdb=" O ILE 2 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG 2 24 " --> pdb=" O ASP 2 20 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N GLU 2 25 " --> pdb=" O ASN 2 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE 2 26 " --> pdb=" O ARG 2 22 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR 2 29 " --> pdb=" O GLU 2 25 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LEU 2 31 " --> pdb=" O PHE 2 27 " (cutoff:3.500A) Processing helix chain '2' and resid 85 through 95 removed outlier: 3.838A pdb=" N ASN 2 91 " --> pdb=" O TRP 2 87 " (cutoff:3.500A) removed outlier: 4.894A pdb=" N LEU 2 92 " --> pdb=" O GLU 2 88 " (cutoff:3.500A) removed outlier: 5.108A pdb=" N GLU 2 93 " --> pdb=" O LEU 2 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG 2 94 " --> pdb=" O ASP 2 90 " (cutoff:3.500A) Processing helix chain '2' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU 2 105 " --> pdb=" O LEU 2 101 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N PHE 2 114 " --> pdb=" O LYS 2 110 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N GLU 2 115 " --> pdb=" O VAL 2 111 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N ASP 2 116 " --> pdb=" O ALA 2 112 " (cutoff:3.500A) Processing helix chain '2' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU 2 148 " --> pdb=" O THR 2 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU 2 149 " --> pdb=" O PRO 2 145 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N VAL 2 153 " --> pdb=" O LEU 2 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER 2 157 " --> pdb=" O VAL 2 153 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N ILE 2 158 " --> pdb=" O ARG 2 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP 2 162 " --> pdb=" O ILE 2 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY 2 163 " --> pdb=" O PHE 2 159 " (cutoff:3.500A) Processing helix chain '2' and resid 173 through 184 removed outlier: 4.127A pdb=" N TRP 2 177 " --> pdb=" O ASN 2 173 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N GLU 2 184 " --> pdb=" O PHE 2 180 " (cutoff:3.500A) Processing helix chain '2' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG 2 193 " --> pdb=" O PRO 2 189 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N CYS 2 197 " --> pdb=" O ARG 2 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU 2 198 " --> pdb=" O VAL 2 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG 2 199 " --> pdb=" O GLU 2 195 " (cutoff:3.500A) Processing helix chain '3' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG 3 22 " --> pdb=" O GLU 3 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA 3 23 " --> pdb=" O ILE 3 19 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N ARG 3 24 " --> pdb=" O ASP 3 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU 3 25 " --> pdb=" O ASN 3 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE 3 26 " --> pdb=" O ARG 3 22 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR 3 29 " --> pdb=" O GLU 3 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU 3 31 " --> pdb=" O PHE 3 27 " (cutoff:3.500A) Processing helix chain '3' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN 3 91 " --> pdb=" O TRP 3 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU 3 92 " --> pdb=" O GLU 3 88 " (cutoff:3.500A) removed outlier: 5.108A pdb=" N GLU 3 93 " --> pdb=" O LEU 3 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG 3 94 " --> pdb=" O ASP 3 90 " (cutoff:3.500A) Processing helix chain '3' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU 3 105 " --> pdb=" O LEU 3 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE 3 114 " --> pdb=" O LYS 3 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU 3 115 " --> pdb=" O VAL 3 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP 3 116 " --> pdb=" O ALA 3 112 " (cutoff:3.500A) Processing helix chain '3' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU 3 148 " --> pdb=" O THR 3 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU 3 149 " --> pdb=" O PRO 3 145 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N VAL 3 153 " --> pdb=" O LEU 3 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER 3 157 " --> pdb=" O VAL 3 153 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N ILE 3 158 " --> pdb=" O ARG 3 154 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ASP 3 162 " --> pdb=" O ILE 3 158 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLY 3 163 " --> pdb=" O PHE 3 159 " (cutoff:3.500A) Processing helix chain '3' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP 3 177 " --> pdb=" O ASN 3 173 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N GLU 3 184 " --> pdb=" O PHE 3 180 " (cutoff:3.500A) Processing helix chain '3' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG 3 193 " --> pdb=" O PRO 3 189 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N CYS 3 197 " --> pdb=" O ARG 3 193 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU 3 198 " --> pdb=" O VAL 3 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG 3 199 " --> pdb=" O GLU 3 195 " (cutoff:3.500A) Processing helix chain '4' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG 4 22 " --> pdb=" O GLU 4 18 " (cutoff:3.500A) removed outlier: 4.071A pdb=" N ALA 4 23 " --> pdb=" O ILE 4 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG 4 24 " --> pdb=" O ASP 4 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU 4 25 " --> pdb=" O ASN 4 21 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N ILE 4 26 " --> pdb=" O ARG 4 22 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR 4 29 " --> pdb=" O GLU 4 25 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU 4 31 " --> pdb=" O PHE 4 27 " (cutoff:3.500A) Processing helix chain '4' and resid 85 through 95 removed outlier: 3.838A pdb=" N ASN 4 91 " --> pdb=" O TRP 4 87 " (cutoff:3.500A) removed outlier: 4.894A pdb=" N LEU 4 92 " --> pdb=" O GLU 4 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU 4 93 " --> pdb=" O LEU 4 89 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ARG 4 94 " --> pdb=" O ASP 4 90 " (cutoff:3.500A) Processing helix chain '4' and resid 101 through 121 removed outlier: 3.693A pdb=" N GLU 4 105 " --> pdb=" O LEU 4 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE 4 114 " --> pdb=" O LYS 4 110 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N GLU 4 115 " --> pdb=" O VAL 4 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP 4 116 " --> pdb=" O ALA 4 112 " (cutoff:3.500A) Processing helix chain '4' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU 4 148 " --> pdb=" O THR 4 144 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N LEU 4 149 " --> pdb=" O PRO 4 145 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N VAL 4 153 " --> pdb=" O LEU 4 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER 4 157 " --> pdb=" O VAL 4 153 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N ILE 4 158 " --> pdb=" O ARG 4 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP 4 162 " --> pdb=" O ILE 4 158 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLY 4 163 " --> pdb=" O PHE 4 159 " (cutoff:3.500A) Processing helix chain '4' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP 4 177 " --> pdb=" O ASN 4 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU 4 184 " --> pdb=" O PHE 4 180 " (cutoff:3.500A) Processing helix chain '4' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG 4 193 " --> pdb=" O PRO 4 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS 4 197 " --> pdb=" O ARG 4 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU 4 198 " --> pdb=" O VAL 4 194 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ARG 4 199 " --> pdb=" O GLU 4 195 " (cutoff:3.500A) Processing helix chain '5' and resid 12 through 31 removed outlier: 3.830A pdb=" N ARG 5 22 " --> pdb=" O GLU 5 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA 5 23 " --> pdb=" O ILE 5 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG 5 24 " --> pdb=" O ASP 5 20 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N GLU 5 25 " --> pdb=" O ASN 5 21 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N ILE 5 26 " --> pdb=" O ARG 5 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR 5 29 " --> pdb=" O GLU 5 25 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU 5 31 " --> pdb=" O PHE 5 27 " (cutoff:3.500A) Processing helix chain '5' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN 5 91 " --> pdb=" O TRP 5 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU 5 92 " --> pdb=" O GLU 5 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU 5 93 " --> pdb=" O LEU 5 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG 5 94 " --> pdb=" O ASP 5 90 " (cutoff:3.500A) Processing helix chain '5' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU 5 105 " --> pdb=" O LEU 5 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE 5 114 " --> pdb=" O LYS 5 110 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N GLU 5 115 " --> pdb=" O VAL 5 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP 5 116 " --> pdb=" O ALA 5 112 " (cutoff:3.500A) Processing helix chain '5' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU 5 148 " --> pdb=" O THR 5 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU 5 149 " --> pdb=" O PRO 5 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL 5 153 " --> pdb=" O LEU 5 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER 5 157 " --> pdb=" O VAL 5 153 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N ILE 5 158 " --> pdb=" O ARG 5 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP 5 162 " --> pdb=" O ILE 5 158 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLY 5 163 " --> pdb=" O PHE 5 159 " (cutoff:3.500A) Processing helix chain '5' and resid 173 through 184 removed outlier: 4.125A pdb=" N TRP 5 177 " --> pdb=" O ASN 5 173 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N GLU 5 184 " --> pdb=" O PHE 5 180 " (cutoff:3.500A) Processing helix chain '5' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG 5 193 " --> pdb=" O PRO 5 189 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N CYS 5 197 " --> pdb=" O ARG 5 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU 5 198 " --> pdb=" O VAL 5 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG 5 199 " --> pdb=" O GLU 5 195 " (cutoff:3.500A) Processing helix chain '6' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG 6 22 " --> pdb=" O GLU 6 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA 6 23 " --> pdb=" O ILE 6 19 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N ARG 6 24 " --> pdb=" O ASP 6 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU 6 25 " --> pdb=" O ASN 6 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE 6 26 " --> pdb=" O ARG 6 22 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR 6 29 " --> pdb=" O GLU 6 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU 6 31 " --> pdb=" O PHE 6 27 " (cutoff:3.500A) Processing helix chain '6' and resid 85 through 95 removed outlier: 3.838A pdb=" N ASN 6 91 " --> pdb=" O TRP 6 87 " (cutoff:3.500A) removed outlier: 4.894A pdb=" N LEU 6 92 " --> pdb=" O GLU 6 88 " (cutoff:3.500A) removed outlier: 5.108A pdb=" N GLU 6 93 " --> pdb=" O LEU 6 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG 6 94 " --> pdb=" O ASP 6 90 " (cutoff:3.500A) Processing helix chain '6' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU 6 105 " --> pdb=" O LEU 6 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE 6 114 " --> pdb=" O LYS 6 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU 6 115 " --> pdb=" O VAL 6 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP 6 116 " --> pdb=" O ALA 6 112 " (cutoff:3.500A) Processing helix chain '6' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU 6 148 " --> pdb=" O THR 6 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU 6 149 " --> pdb=" O PRO 6 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL 6 153 " --> pdb=" O LEU 6 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER 6 157 " --> pdb=" O VAL 6 153 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N ILE 6 158 " --> pdb=" O ARG 6 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP 6 162 " --> pdb=" O ILE 6 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY 6 163 " --> pdb=" O PHE 6 159 " (cutoff:3.500A) Processing helix chain '6' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP 6 177 " --> pdb=" O ASN 6 173 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N GLU 6 184 " --> pdb=" O PHE 6 180 " (cutoff:3.500A) Processing helix chain '6' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG 6 193 " --> pdb=" O PRO 6 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS 6 197 " --> pdb=" O ARG 6 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU 6 198 " --> pdb=" O VAL 6 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG 6 199 " --> pdb=" O GLU 6 195 " (cutoff:3.500A) Processing helix chain '7' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG 7 22 " --> pdb=" O GLU 7 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA 7 23 " --> pdb=" O ILE 7 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG 7 24 " --> pdb=" O ASP 7 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU 7 25 " --> pdb=" O ASN 7 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE 7 26 " --> pdb=" O ARG 7 22 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR 7 29 " --> pdb=" O GLU 7 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU 7 31 " --> pdb=" O PHE 7 27 " (cutoff:3.500A) Processing helix chain '7' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN 7 91 " --> pdb=" O TRP 7 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU 7 92 " --> pdb=" O GLU 7 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU 7 93 " --> pdb=" O LEU 7 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG 7 94 " --> pdb=" O ASP 7 90 " (cutoff:3.500A) Processing helix chain '7' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU 7 105 " --> pdb=" O LEU 7 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE 7 114 " --> pdb=" O LYS 7 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU 7 115 " --> pdb=" O VAL 7 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP 7 116 " --> pdb=" O ALA 7 112 " (cutoff:3.500A) Processing helix chain '7' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU 7 148 " --> pdb=" O THR 7 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU 7 149 " --> pdb=" O PRO 7 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL 7 153 " --> pdb=" O LEU 7 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER 7 157 " --> pdb=" O VAL 7 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE 7 158 " --> pdb=" O ARG 7 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP 7 162 " --> pdb=" O ILE 7 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY 7 163 " --> pdb=" O PHE 7 159 " (cutoff:3.500A) Processing helix chain '7' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP 7 177 " --> pdb=" O ASN 7 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU 7 184 " --> pdb=" O PHE 7 180 " (cutoff:3.500A) Processing helix chain '7' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG 7 193 " --> pdb=" O PRO 7 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS 7 197 " --> pdb=" O ARG 7 193 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU 7 198 " --> pdb=" O VAL 7 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG 7 199 " --> pdb=" O GLU 7 195 " (cutoff:3.500A) Processing helix chain '8' and resid 12 through 31 removed outlier: 3.830A pdb=" N ARG 8 22 " --> pdb=" O GLU 8 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA 8 23 " --> pdb=" O ILE 8 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG 8 24 " --> pdb=" O ASP 8 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU 8 25 " --> pdb=" O ASN 8 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE 8 26 " --> pdb=" O ARG 8 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR 8 29 " --> pdb=" O GLU 8 25 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU 8 31 " --> pdb=" O PHE 8 27 " (cutoff:3.500A) Processing helix chain '8' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN 8 91 " --> pdb=" O TRP 8 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU 8 92 " --> pdb=" O GLU 8 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU 8 93 " --> pdb=" O LEU 8 89 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ARG 8 94 " --> pdb=" O ASP 8 90 " (cutoff:3.500A) Processing helix chain '8' and resid 101 through 121 removed outlier: 3.691A pdb=" N GLU 8 105 " --> pdb=" O LEU 8 101 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N PHE 8 114 " --> pdb=" O LYS 8 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU 8 115 " --> pdb=" O VAL 8 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP 8 116 " --> pdb=" O ALA 8 112 " (cutoff:3.500A) Processing helix chain '8' and resid 144 through 163 removed outlier: 3.903A pdb=" N LEU 8 148 " --> pdb=" O THR 8 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU 8 149 " --> pdb=" O PRO 8 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL 8 153 " --> pdb=" O LEU 8 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER 8 157 " --> pdb=" O VAL 8 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE 8 158 " --> pdb=" O ARG 8 154 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ASP 8 162 " --> pdb=" O ILE 8 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY 8 163 " --> pdb=" O PHE 8 159 " (cutoff:3.500A) Processing helix chain '8' and resid 173 through 184 removed outlier: 4.127A pdb=" N TRP 8 177 " --> pdb=" O ASN 8 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU 8 184 " --> pdb=" O PHE 8 180 " (cutoff:3.500A) Processing helix chain '8' and resid 189 through 199 removed outlier: 3.521A pdb=" N ARG 8 193 " --> pdb=" O PRO 8 189 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N CYS 8 197 " --> pdb=" O ARG 8 193 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU 8 198 " --> pdb=" O VAL 8 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG 8 199 " --> pdb=" O GLU 8 195 " (cutoff:3.500A) Processing helix chain '9' and resid 12 through 31 removed outlier: 3.830A pdb=" N ARG 9 22 " --> pdb=" O GLU 9 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA 9 23 " --> pdb=" O ILE 9 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG 9 24 " --> pdb=" O ASP 9 20 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N GLU 9 25 " --> pdb=" O ASN 9 21 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N ILE 9 26 " --> pdb=" O ARG 9 22 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR 9 29 " --> pdb=" O GLU 9 25 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU 9 31 " --> pdb=" O PHE 9 27 " (cutoff:3.500A) Processing helix chain '9' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN 9 91 " --> pdb=" O TRP 9 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU 9 92 " --> pdb=" O GLU 9 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU 9 93 " --> pdb=" O LEU 9 89 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ARG 9 94 " --> pdb=" O ASP 9 90 " (cutoff:3.500A) Processing helix chain '9' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU 9 105 " --> pdb=" O LEU 9 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE 9 114 " --> pdb=" O LYS 9 110 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N GLU 9 115 " --> pdb=" O VAL 9 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP 9 116 " --> pdb=" O ALA 9 112 " (cutoff:3.500A) Processing helix chain '9' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU 9 148 " --> pdb=" O THR 9 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU 9 149 " --> pdb=" O PRO 9 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL 9 153 " --> pdb=" O LEU 9 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER 9 157 " --> pdb=" O VAL 9 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE 9 158 " --> pdb=" O ARG 9 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP 9 162 " --> pdb=" O ILE 9 158 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLY 9 163 " --> pdb=" O PHE 9 159 " (cutoff:3.500A) Processing helix chain '9' and resid 173 through 184 removed outlier: 4.125A pdb=" N TRP 9 177 " --> pdb=" O ASN 9 173 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N GLU 9 184 " --> pdb=" O PHE 9 180 " (cutoff:3.500A) Processing helix chain '9' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG 9 193 " --> pdb=" O PRO 9 189 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N CYS 9 197 " --> pdb=" O ARG 9 193 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU 9 198 " --> pdb=" O VAL 9 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG 9 199 " --> pdb=" O GLU 9 195 " (cutoff:3.500A) Processing helix chain 'a' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG a 22 " --> pdb=" O GLU a 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA a 23 " --> pdb=" O ILE a 19 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N ARG a 24 " --> pdb=" O ASP a 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU a 25 " --> pdb=" O ASN a 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE a 26 " --> pdb=" O ARG a 22 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N THR a 29 " --> pdb=" O GLU a 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU a 31 " --> pdb=" O PHE a 27 " (cutoff:3.500A) Processing helix chain 'a' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN a 91 " --> pdb=" O TRP a 87 " (cutoff:3.500A) removed outlier: 4.894A pdb=" N LEU a 92 " --> pdb=" O GLU a 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU a 93 " --> pdb=" O LEU a 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG a 94 " --> pdb=" O ASP a 90 " (cutoff:3.500A) Processing helix chain 'a' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU a 105 " --> pdb=" O LEU a 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE a 114 " --> pdb=" O LYS a 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU a 115 " --> pdb=" O VAL a 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP a 116 " --> pdb=" O ALA a 112 " (cutoff:3.500A) Processing helix chain 'a' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU a 148 " --> pdb=" O THR a 144 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N LEU a 149 " --> pdb=" O PRO a 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL a 153 " --> pdb=" O LEU a 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER a 157 " --> pdb=" O VAL a 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE a 158 " --> pdb=" O ARG a 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP a 162 " --> pdb=" O ILE a 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY a 163 " --> pdb=" O PHE a 159 " (cutoff:3.500A) Processing helix chain 'a' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP a 177 " --> pdb=" O ASN a 173 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N GLU a 184 " --> pdb=" O PHE a 180 " (cutoff:3.500A) Processing helix chain 'a' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG a 193 " --> pdb=" O PRO a 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS a 197 " --> pdb=" O ARG a 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU a 198 " --> pdb=" O VAL a 194 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ARG a 199 " --> pdb=" O GLU a 195 " (cutoff:3.500A) Processing helix chain 'b' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG b 22 " --> pdb=" O GLU b 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA b 23 " --> pdb=" O ILE b 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG b 24 " --> pdb=" O ASP b 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU b 25 " --> pdb=" O ASN b 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE b 26 " --> pdb=" O ARG b 22 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR b 29 " --> pdb=" O GLU b 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU b 31 " --> pdb=" O PHE b 27 " (cutoff:3.500A) Processing helix chain 'b' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN b 91 " --> pdb=" O TRP b 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU b 92 " --> pdb=" O GLU b 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU b 93 " --> pdb=" O LEU b 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG b 94 " --> pdb=" O ASP b 90 " (cutoff:3.500A) Processing helix chain 'b' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU b 105 " --> pdb=" O LEU b 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE b 114 " --> pdb=" O LYS b 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU b 115 " --> pdb=" O VAL b 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP b 116 " --> pdb=" O ALA b 112 " (cutoff:3.500A) Processing helix chain 'b' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU b 148 " --> pdb=" O THR b 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU b 149 " --> pdb=" O PRO b 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL b 153 " --> pdb=" O LEU b 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER b 157 " --> pdb=" O VAL b 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE b 158 " --> pdb=" O ARG b 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP b 162 " --> pdb=" O ILE b 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY b 163 " --> pdb=" O PHE b 159 " (cutoff:3.500A) Processing helix chain 'b' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP b 177 " --> pdb=" O ASN b 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU b 184 " --> pdb=" O PHE b 180 " (cutoff:3.500A) Processing helix chain 'b' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG b 193 " --> pdb=" O PRO b 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS b 197 " --> pdb=" O ARG b 193 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU b 198 " --> pdb=" O VAL b 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG b 199 " --> pdb=" O GLU b 195 " (cutoff:3.500A) Processing helix chain 'c' and resid 12 through 31 removed outlier: 3.830A pdb=" N ARG c 22 " --> pdb=" O GLU c 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA c 23 " --> pdb=" O ILE c 19 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N ARG c 24 " --> pdb=" O ASP c 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU c 25 " --> pdb=" O ASN c 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE c 26 " --> pdb=" O ARG c 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR c 29 " --> pdb=" O GLU c 25 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU c 31 " --> pdb=" O PHE c 27 " (cutoff:3.500A) Processing helix chain 'c' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN c 91 " --> pdb=" O TRP c 87 " (cutoff:3.500A) removed outlier: 4.894A pdb=" N LEU c 92 " --> pdb=" O GLU c 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU c 93 " --> pdb=" O LEU c 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG c 94 " --> pdb=" O ASP c 90 " (cutoff:3.500A) Processing helix chain 'c' and resid 101 through 121 removed outlier: 3.691A pdb=" N GLU c 105 " --> pdb=" O LEU c 101 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N PHE c 114 " --> pdb=" O LYS c 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU c 115 " --> pdb=" O VAL c 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP c 116 " --> pdb=" O ALA c 112 " (cutoff:3.500A) Processing helix chain 'c' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU c 148 " --> pdb=" O THR c 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU c 149 " --> pdb=" O PRO c 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL c 153 " --> pdb=" O LEU c 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER c 157 " --> pdb=" O VAL c 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE c 158 " --> pdb=" O ARG c 154 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ASP c 162 " --> pdb=" O ILE c 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY c 163 " --> pdb=" O PHE c 159 " (cutoff:3.500A) Processing helix chain 'c' and resid 173 through 184 removed outlier: 4.127A pdb=" N TRP c 177 " --> pdb=" O ASN c 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU c 184 " --> pdb=" O PHE c 180 " (cutoff:3.500A) Processing helix chain 'c' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG c 193 " --> pdb=" O PRO c 189 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N CYS c 197 " --> pdb=" O ARG c 193 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU c 198 " --> pdb=" O VAL c 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG c 199 " --> pdb=" O GLU c 195 " (cutoff:3.500A) Processing helix chain 'd' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG d 22 " --> pdb=" O GLU d 18 " (cutoff:3.500A) removed outlier: 4.071A pdb=" N ALA d 23 " --> pdb=" O ILE d 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG d 24 " --> pdb=" O ASP d 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU d 25 " --> pdb=" O ASN d 21 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N ILE d 26 " --> pdb=" O ARG d 22 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR d 29 " --> pdb=" O GLU d 25 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU d 31 " --> pdb=" O PHE d 27 " (cutoff:3.500A) Processing helix chain 'd' and resid 85 through 95 removed outlier: 3.838A pdb=" N ASN d 91 " --> pdb=" O TRP d 87 " (cutoff:3.500A) removed outlier: 4.894A pdb=" N LEU d 92 " --> pdb=" O GLU d 88 " (cutoff:3.500A) removed outlier: 5.108A pdb=" N GLU d 93 " --> pdb=" O LEU d 89 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ARG d 94 " --> pdb=" O ASP d 90 " (cutoff:3.500A) Processing helix chain 'd' and resid 101 through 121 removed outlier: 3.693A pdb=" N GLU d 105 " --> pdb=" O LEU d 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE d 114 " --> pdb=" O LYS d 110 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N GLU d 115 " --> pdb=" O VAL d 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP d 116 " --> pdb=" O ALA d 112 " (cutoff:3.500A) Processing helix chain 'd' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU d 148 " --> pdb=" O THR d 144 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N LEU d 149 " --> pdb=" O PRO d 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL d 153 " --> pdb=" O LEU d 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER d 157 " --> pdb=" O VAL d 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE d 158 " --> pdb=" O ARG d 154 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ASP d 162 " --> pdb=" O ILE d 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY d 163 " --> pdb=" O PHE d 159 " (cutoff:3.500A) Processing helix chain 'd' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP d 177 " --> pdb=" O ASN d 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU d 184 " --> pdb=" O PHE d 180 " (cutoff:3.500A) Processing helix chain 'd' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG d 193 " --> pdb=" O PRO d 189 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N CYS d 197 " --> pdb=" O ARG d 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU d 198 " --> pdb=" O VAL d 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG d 199 " --> pdb=" O GLU d 195 " (cutoff:3.500A) Processing helix chain 'e' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG e 22 " --> pdb=" O GLU e 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA e 23 " --> pdb=" O ILE e 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG e 24 " --> pdb=" O ASP e 20 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N GLU e 25 " --> pdb=" O ASN e 21 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N ILE e 26 " --> pdb=" O ARG e 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR e 29 " --> pdb=" O GLU e 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU e 31 " --> pdb=" O PHE e 27 " (cutoff:3.500A) Processing helix chain 'e' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN e 91 " --> pdb=" O TRP e 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU e 92 " --> pdb=" O GLU e 88 " (cutoff:3.500A) removed outlier: 5.110A pdb=" N GLU e 93 " --> pdb=" O LEU e 89 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ARG e 94 " --> pdb=" O ASP e 90 " (cutoff:3.500A) Processing helix chain 'e' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU e 105 " --> pdb=" O LEU e 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE e 114 " --> pdb=" O LYS e 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU e 115 " --> pdb=" O VAL e 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP e 116 " --> pdb=" O ALA e 112 " (cutoff:3.500A) Processing helix chain 'e' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU e 148 " --> pdb=" O THR e 144 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N LEU e 149 " --> pdb=" O PRO e 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL e 153 " --> pdb=" O LEU e 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER e 157 " --> pdb=" O VAL e 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE e 158 " --> pdb=" O ARG e 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP e 162 " --> pdb=" O ILE e 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY e 163 " --> pdb=" O PHE e 159 " (cutoff:3.500A) Processing helix chain 'e' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP e 177 " --> pdb=" O ASN e 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU e 184 " --> pdb=" O PHE e 180 " (cutoff:3.500A) Processing helix chain 'e' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG e 193 " --> pdb=" O PRO e 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS e 197 " --> pdb=" O ARG e 193 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU e 198 " --> pdb=" O VAL e 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG e 199 " --> pdb=" O GLU e 195 " (cutoff:3.500A) Processing helix chain 'f' and resid 12 through 31 removed outlier: 3.830A pdb=" N ARG f 22 " --> pdb=" O GLU f 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA f 23 " --> pdb=" O ILE f 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG f 24 " --> pdb=" O ASP f 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU f 25 " --> pdb=" O ASN f 21 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N ILE f 26 " --> pdb=" O ARG f 22 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR f 29 " --> pdb=" O GLU f 25 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU f 31 " --> pdb=" O PHE f 27 " (cutoff:3.500A) Processing helix chain 'f' and resid 85 through 95 removed outlier: 3.838A pdb=" N ASN f 91 " --> pdb=" O TRP f 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU f 92 " --> pdb=" O GLU f 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU f 93 " --> pdb=" O LEU f 89 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ARG f 94 " --> pdb=" O ASP f 90 " (cutoff:3.500A) Processing helix chain 'f' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU f 105 " --> pdb=" O LEU f 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE f 114 " --> pdb=" O LYS f 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU f 115 " --> pdb=" O VAL f 111 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N ASP f 116 " --> pdb=" O ALA f 112 " (cutoff:3.500A) Processing helix chain 'f' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU f 148 " --> pdb=" O THR f 144 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N LEU f 149 " --> pdb=" O PRO f 145 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N VAL f 153 " --> pdb=" O LEU f 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER f 157 " --> pdb=" O VAL f 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE f 158 " --> pdb=" O ARG f 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP f 162 " --> pdb=" O ILE f 158 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLY f 163 " --> pdb=" O PHE f 159 " (cutoff:3.500A) Processing helix chain 'f' and resid 173 through 184 removed outlier: 4.127A pdb=" N TRP f 177 " --> pdb=" O ASN f 173 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N GLU f 184 " --> pdb=" O PHE f 180 " (cutoff:3.500A) Processing helix chain 'f' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG f 193 " --> pdb=" O PRO f 189 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N CYS f 197 " --> pdb=" O ARG f 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU f 198 " --> pdb=" O VAL f 194 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ARG f 199 " --> pdb=" O GLU f 195 " (cutoff:3.500A) Processing helix chain 'g' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG g 22 " --> pdb=" O GLU g 18 " (cutoff:3.500A) removed outlier: 4.071A pdb=" N ALA g 23 " --> pdb=" O ILE g 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG g 24 " --> pdb=" O ASP g 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU g 25 " --> pdb=" O ASN g 21 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N ILE g 26 " --> pdb=" O ARG g 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR g 29 " --> pdb=" O GLU g 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU g 31 " --> pdb=" O PHE g 27 " (cutoff:3.500A) Processing helix chain 'g' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN g 91 " --> pdb=" O TRP g 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU g 92 " --> pdb=" O GLU g 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU g 93 " --> pdb=" O LEU g 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG g 94 " --> pdb=" O ASP g 90 " (cutoff:3.500A) Processing helix chain 'g' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU g 105 " --> pdb=" O LEU g 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE g 114 " --> pdb=" O LYS g 110 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N GLU g 115 " --> pdb=" O VAL g 111 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N ASP g 116 " --> pdb=" O ALA g 112 " (cutoff:3.500A) Processing helix chain 'g' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU g 148 " --> pdb=" O THR g 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU g 149 " --> pdb=" O PRO g 145 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N VAL g 153 " --> pdb=" O LEU g 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER g 157 " --> pdb=" O VAL g 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE g 158 " --> pdb=" O ARG g 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP g 162 " --> pdb=" O ILE g 158 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLY g 163 " --> pdb=" O PHE g 159 " (cutoff:3.500A) Processing helix chain 'g' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP g 177 " --> pdb=" O ASN g 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU g 184 " --> pdb=" O PHE g 180 " (cutoff:3.500A) Processing helix chain 'g' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG g 193 " --> pdb=" O PRO g 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS g 197 " --> pdb=" O ARG g 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU g 198 " --> pdb=" O VAL g 194 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ARG g 199 " --> pdb=" O GLU g 195 " (cutoff:3.500A) Processing helix chain 'h' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG h 22 " --> pdb=" O GLU h 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA h 23 " --> pdb=" O ILE h 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG h 24 " --> pdb=" O ASP h 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU h 25 " --> pdb=" O ASN h 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE h 26 " --> pdb=" O ARG h 22 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR h 29 " --> pdb=" O GLU h 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU h 31 " --> pdb=" O PHE h 27 " (cutoff:3.500A) Processing helix chain 'h' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN h 91 " --> pdb=" O TRP h 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU h 92 " --> pdb=" O GLU h 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU h 93 " --> pdb=" O LEU h 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG h 94 " --> pdb=" O ASP h 90 " (cutoff:3.500A) Processing helix chain 'h' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU h 105 " --> pdb=" O LEU h 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE h 114 " --> pdb=" O LYS h 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU h 115 " --> pdb=" O VAL h 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP h 116 " --> pdb=" O ALA h 112 " (cutoff:3.500A) Processing helix chain 'h' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU h 148 " --> pdb=" O THR h 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU h 149 " --> pdb=" O PRO h 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL h 153 " --> pdb=" O LEU h 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER h 157 " --> pdb=" O VAL h 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE h 158 " --> pdb=" O ARG h 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP h 162 " --> pdb=" O ILE h 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY h 163 " --> pdb=" O PHE h 159 " (cutoff:3.500A) Processing helix chain 'h' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP h 177 " --> pdb=" O ASN h 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU h 184 " --> pdb=" O PHE h 180 " (cutoff:3.500A) Processing helix chain 'h' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG h 193 " --> pdb=" O PRO h 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS h 197 " --> pdb=" O ARG h 193 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU h 198 " --> pdb=" O VAL h 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG h 199 " --> pdb=" O GLU h 195 " (cutoff:3.500A) Processing helix chain 'i' and resid 12 through 31 removed outlier: 3.830A pdb=" N ARG i 22 " --> pdb=" O GLU i 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA i 23 " --> pdb=" O ILE i 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG i 24 " --> pdb=" O ASP i 20 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N GLU i 25 " --> pdb=" O ASN i 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE i 26 " --> pdb=" O ARG i 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR i 29 " --> pdb=" O GLU i 25 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU i 31 " --> pdb=" O PHE i 27 " (cutoff:3.500A) Processing helix chain 'i' and resid 85 through 95 removed outlier: 3.838A pdb=" N ASN i 91 " --> pdb=" O TRP i 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU i 92 " --> pdb=" O GLU i 88 " (cutoff:3.500A) removed outlier: 5.108A pdb=" N GLU i 93 " --> pdb=" O LEU i 89 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ARG i 94 " --> pdb=" O ASP i 90 " (cutoff:3.500A) Processing helix chain 'i' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU i 105 " --> pdb=" O LEU i 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE i 114 " --> pdb=" O LYS i 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU i 115 " --> pdb=" O VAL i 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP i 116 " --> pdb=" O ALA i 112 " (cutoff:3.500A) Processing helix chain 'i' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU i 148 " --> pdb=" O THR i 144 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N LEU i 149 " --> pdb=" O PRO i 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL i 153 " --> pdb=" O LEU i 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER i 157 " --> pdb=" O VAL i 153 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N ILE i 158 " --> pdb=" O ARG i 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP i 162 " --> pdb=" O ILE i 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY i 163 " --> pdb=" O PHE i 159 " (cutoff:3.500A) Processing helix chain 'i' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP i 177 " --> pdb=" O ASN i 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU i 184 " --> pdb=" O PHE i 180 " (cutoff:3.500A) Processing helix chain 'i' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG i 193 " --> pdb=" O PRO i 189 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N CYS i 197 " --> pdb=" O ARG i 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU i 198 " --> pdb=" O VAL i 194 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ARG i 199 " --> pdb=" O GLU i 195 " (cutoff:3.500A) Processing helix chain 'j' and resid 12 through 31 removed outlier: 3.830A pdb=" N ARG j 22 " --> pdb=" O GLU j 18 " (cutoff:3.500A) removed outlier: 4.071A pdb=" N ALA j 23 " --> pdb=" O ILE j 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG j 24 " --> pdb=" O ASP j 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU j 25 " --> pdb=" O ASN j 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE j 26 " --> pdb=" O ARG j 22 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR j 29 " --> pdb=" O GLU j 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU j 31 " --> pdb=" O PHE j 27 " (cutoff:3.500A) Processing helix chain 'j' and resid 85 through 95 removed outlier: 3.838A pdb=" N ASN j 91 " --> pdb=" O TRP j 87 " (cutoff:3.500A) removed outlier: 4.894A pdb=" N LEU j 92 " --> pdb=" O GLU j 88 " (cutoff:3.500A) removed outlier: 5.108A pdb=" N GLU j 93 " --> pdb=" O LEU j 89 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ARG j 94 " --> pdb=" O ASP j 90 " (cutoff:3.500A) Processing helix chain 'j' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU j 105 " --> pdb=" O LEU j 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE j 114 " --> pdb=" O LYS j 110 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N GLU j 115 " --> pdb=" O VAL j 111 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N ASP j 116 " --> pdb=" O ALA j 112 " (cutoff:3.500A) Processing helix chain 'j' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU j 148 " --> pdb=" O THR j 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU j 149 " --> pdb=" O PRO j 145 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N VAL j 153 " --> pdb=" O LEU j 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER j 157 " --> pdb=" O VAL j 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE j 158 " --> pdb=" O ARG j 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP j 162 " --> pdb=" O ILE j 158 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLY j 163 " --> pdb=" O PHE j 159 " (cutoff:3.500A) Processing helix chain 'j' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP j 177 " --> pdb=" O ASN j 173 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N GLU j 184 " --> pdb=" O PHE j 180 " (cutoff:3.500A) Processing helix chain 'j' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG j 193 " --> pdb=" O PRO j 189 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N CYS j 197 " --> pdb=" O ARG j 193 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU j 198 " --> pdb=" O VAL j 194 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ARG j 199 " --> pdb=" O GLU j 195 " (cutoff:3.500A) Processing helix chain 'k' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG k 22 " --> pdb=" O GLU k 18 " (cutoff:3.500A) removed outlier: 4.071A pdb=" N ALA k 23 " --> pdb=" O ILE k 19 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N ARG k 24 " --> pdb=" O ASP k 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU k 25 " --> pdb=" O ASN k 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE k 26 " --> pdb=" O ARG k 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR k 29 " --> pdb=" O GLU k 25 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LEU k 31 " --> pdb=" O PHE k 27 " (cutoff:3.500A) Processing helix chain 'k' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN k 91 " --> pdb=" O TRP k 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU k 92 " --> pdb=" O GLU k 88 " (cutoff:3.500A) removed outlier: 5.108A pdb=" N GLU k 93 " --> pdb=" O LEU k 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG k 94 " --> pdb=" O ASP k 90 " (cutoff:3.500A) Processing helix chain 'k' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU k 105 " --> pdb=" O LEU k 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE k 114 " --> pdb=" O LYS k 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU k 115 " --> pdb=" O VAL k 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP k 116 " --> pdb=" O ALA k 112 " (cutoff:3.500A) Processing helix chain 'k' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU k 148 " --> pdb=" O THR k 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU k 149 " --> pdb=" O PRO k 145 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N VAL k 153 " --> pdb=" O LEU k 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER k 157 " --> pdb=" O VAL k 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE k 158 " --> pdb=" O ARG k 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP k 162 " --> pdb=" O ILE k 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY k 163 " --> pdb=" O PHE k 159 " (cutoff:3.500A) Processing helix chain 'k' and resid 173 through 184 removed outlier: 4.127A pdb=" N TRP k 177 " --> pdb=" O ASN k 173 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N GLU k 184 " --> pdb=" O PHE k 180 " (cutoff:3.500A) Processing helix chain 'k' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG k 193 " --> pdb=" O PRO k 189 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N CYS k 197 " --> pdb=" O ARG k 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU k 198 " --> pdb=" O VAL k 194 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ARG k 199 " --> pdb=" O GLU k 195 " (cutoff:3.500A) Processing helix chain 'l' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG l 22 " --> pdb=" O GLU l 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA l 23 " --> pdb=" O ILE l 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG l 24 " --> pdb=" O ASP l 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU l 25 " --> pdb=" O ASN l 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE l 26 " --> pdb=" O ARG l 22 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR l 29 " --> pdb=" O GLU l 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU l 31 " --> pdb=" O PHE l 27 " (cutoff:3.500A) Processing helix chain 'l' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN l 91 " --> pdb=" O TRP l 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU l 92 " --> pdb=" O GLU l 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU l 93 " --> pdb=" O LEU l 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG l 94 " --> pdb=" O ASP l 90 " (cutoff:3.500A) Processing helix chain 'l' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU l 105 " --> pdb=" O LEU l 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE l 114 " --> pdb=" O LYS l 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU l 115 " --> pdb=" O VAL l 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP l 116 " --> pdb=" O ALA l 112 " (cutoff:3.500A) Processing helix chain 'l' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU l 148 " --> pdb=" O THR l 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU l 149 " --> pdb=" O PRO l 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL l 153 " --> pdb=" O LEU l 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER l 157 " --> pdb=" O VAL l 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE l 158 " --> pdb=" O ARG l 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP l 162 " --> pdb=" O ILE l 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY l 163 " --> pdb=" O PHE l 159 " (cutoff:3.500A) Processing helix chain 'l' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP l 177 " --> pdb=" O ASN l 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU l 184 " --> pdb=" O PHE l 180 " (cutoff:3.500A) Processing helix chain 'l' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG l 193 " --> pdb=" O PRO l 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS l 197 " --> pdb=" O ARG l 193 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU l 198 " --> pdb=" O VAL l 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG l 199 " --> pdb=" O GLU l 195 " (cutoff:3.500A) Processing helix chain 'm' and resid 12 through 31 removed outlier: 3.830A pdb=" N ARG m 22 " --> pdb=" O GLU m 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA m 23 " --> pdb=" O ILE m 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG m 24 " --> pdb=" O ASP m 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU m 25 " --> pdb=" O ASN m 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE m 26 " --> pdb=" O ARG m 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR m 29 " --> pdb=" O GLU m 25 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU m 31 " --> pdb=" O PHE m 27 " (cutoff:3.500A) Processing helix chain 'm' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN m 91 " --> pdb=" O TRP m 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU m 92 " --> pdb=" O GLU m 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU m 93 " --> pdb=" O LEU m 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG m 94 " --> pdb=" O ASP m 90 " (cutoff:3.500A) Processing helix chain 'm' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU m 105 " --> pdb=" O LEU m 101 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N PHE m 114 " --> pdb=" O LYS m 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU m 115 " --> pdb=" O VAL m 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP m 116 " --> pdb=" O ALA m 112 " (cutoff:3.500A) Processing helix chain 'm' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU m 148 " --> pdb=" O THR m 144 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N LEU m 149 " --> pdb=" O PRO m 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL m 153 " --> pdb=" O LEU m 149 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N SER m 157 " --> pdb=" O VAL m 153 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N ILE m 158 " --> pdb=" O ARG m 154 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ASP m 162 " --> pdb=" O ILE m 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY m 163 " --> pdb=" O PHE m 159 " (cutoff:3.500A) Processing helix chain 'm' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP m 177 " --> pdb=" O ASN m 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU m 184 " --> pdb=" O PHE m 180 " (cutoff:3.500A) Processing helix chain 'm' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG m 193 " --> pdb=" O PRO m 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS m 197 " --> pdb=" O ARG m 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU m 198 " --> pdb=" O VAL m 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG m 199 " --> pdb=" O GLU m 195 " (cutoff:3.500A) Processing helix chain 'n' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG n 22 " --> pdb=" O GLU n 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA n 23 " --> pdb=" O ILE n 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG n 24 " --> pdb=" O ASP n 20 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N GLU n 25 " --> pdb=" O ASN n 21 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N ILE n 26 " --> pdb=" O ARG n 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR n 29 " --> pdb=" O GLU n 25 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU n 31 " --> pdb=" O PHE n 27 " (cutoff:3.500A) Processing helix chain 'n' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN n 91 " --> pdb=" O TRP n 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU n 92 " --> pdb=" O GLU n 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU n 93 " --> pdb=" O LEU n 89 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ARG n 94 " --> pdb=" O ASP n 90 " (cutoff:3.500A) Processing helix chain 'n' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU n 105 " --> pdb=" O LEU n 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE n 114 " --> pdb=" O LYS n 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU n 115 " --> pdb=" O VAL n 111 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N ASP n 116 " --> pdb=" O ALA n 112 " (cutoff:3.500A) Processing helix chain 'n' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU n 148 " --> pdb=" O THR n 144 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N LEU n 149 " --> pdb=" O PRO n 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL n 153 " --> pdb=" O LEU n 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER n 157 " --> pdb=" O VAL n 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE n 158 " --> pdb=" O ARG n 154 " (cutoff:3.500A) removed outlier: 3.844A pdb=" N ASP n 162 " --> pdb=" O ILE n 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY n 163 " --> pdb=" O PHE n 159 " (cutoff:3.500A) Processing helix chain 'n' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP n 177 " --> pdb=" O ASN n 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU n 184 " --> pdb=" O PHE n 180 " (cutoff:3.500A) Processing helix chain 'n' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG n 193 " --> pdb=" O PRO n 189 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N CYS n 197 " --> pdb=" O ARG n 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU n 198 " --> pdb=" O VAL n 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG n 199 " --> pdb=" O GLU n 195 " (cutoff:3.500A) Processing helix chain 'o' and resid 12 through 31 removed outlier: 3.830A pdb=" N ARG o 22 " --> pdb=" O GLU o 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA o 23 " --> pdb=" O ILE o 19 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N ARG o 24 " --> pdb=" O ASP o 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU o 25 " --> pdb=" O ASN o 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE o 26 " --> pdb=" O ARG o 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR o 29 " --> pdb=" O GLU o 25 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LEU o 31 " --> pdb=" O PHE o 27 " (cutoff:3.500A) Processing helix chain 'o' and resid 85 through 95 removed outlier: 3.838A pdb=" N ASN o 91 " --> pdb=" O TRP o 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU o 92 " --> pdb=" O GLU o 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU o 93 " --> pdb=" O LEU o 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG o 94 " --> pdb=" O ASP o 90 " (cutoff:3.500A) Processing helix chain 'o' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU o 105 " --> pdb=" O LEU o 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE o 114 " --> pdb=" O LYS o 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU o 115 " --> pdb=" O VAL o 111 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N ASP o 116 " --> pdb=" O ALA o 112 " (cutoff:3.500A) Processing helix chain 'o' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU o 148 " --> pdb=" O THR o 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU o 149 " --> pdb=" O PRO o 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL o 153 " --> pdb=" O LEU o 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER o 157 " --> pdb=" O VAL o 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE o 158 " --> pdb=" O ARG o 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP o 162 " --> pdb=" O ILE o 158 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N GLY o 163 " --> pdb=" O PHE o 159 " (cutoff:3.500A) Processing helix chain 'o' and resid 173 through 184 removed outlier: 4.127A pdb=" N TRP o 177 " --> pdb=" O ASN o 173 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N GLU o 184 " --> pdb=" O PHE o 180 " (cutoff:3.500A) Processing helix chain 'o' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG o 193 " --> pdb=" O PRO o 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS o 197 " --> pdb=" O ARG o 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU o 198 " --> pdb=" O VAL o 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG o 199 " --> pdb=" O GLU o 195 " (cutoff:3.500A) Processing helix chain 'p' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG p 22 " --> pdb=" O GLU p 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA p 23 " --> pdb=" O ILE p 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG p 24 " --> pdb=" O ASP p 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU p 25 " --> pdb=" O ASN p 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE p 26 " --> pdb=" O ARG p 22 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR p 29 " --> pdb=" O GLU p 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU p 31 " --> pdb=" O PHE p 27 " (cutoff:3.500A) Processing helix chain 'p' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN p 91 " --> pdb=" O TRP p 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU p 92 " --> pdb=" O GLU p 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU p 93 " --> pdb=" O LEU p 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG p 94 " --> pdb=" O ASP p 90 " (cutoff:3.500A) Processing helix chain 'p' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU p 105 " --> pdb=" O LEU p 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE p 114 " --> pdb=" O LYS p 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU p 115 " --> pdb=" O VAL p 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP p 116 " --> pdb=" O ALA p 112 " (cutoff:3.500A) Processing helix chain 'p' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU p 148 " --> pdb=" O THR p 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU p 149 " --> pdb=" O PRO p 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL p 153 " --> pdb=" O LEU p 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER p 157 " --> pdb=" O VAL p 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE p 158 " --> pdb=" O ARG p 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP p 162 " --> pdb=" O ILE p 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY p 163 " --> pdb=" O PHE p 159 " (cutoff:3.500A) Processing helix chain 'p' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP p 177 " --> pdb=" O ASN p 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU p 184 " --> pdb=" O PHE p 180 " (cutoff:3.500A) Processing helix chain 'p' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG p 193 " --> pdb=" O PRO p 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS p 197 " --> pdb=" O ARG p 193 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU p 198 " --> pdb=" O VAL p 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG p 199 " --> pdb=" O GLU p 195 " (cutoff:3.500A) Processing helix chain 'q' and resid 12 through 31 removed outlier: 3.830A pdb=" N ARG q 22 " --> pdb=" O GLU q 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA q 23 " --> pdb=" O ILE q 19 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N ARG q 24 " --> pdb=" O ASP q 20 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N GLU q 25 " --> pdb=" O ASN q 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE q 26 " --> pdb=" O ARG q 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR q 29 " --> pdb=" O GLU q 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU q 31 " --> pdb=" O PHE q 27 " (cutoff:3.500A) Processing helix chain 'q' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN q 91 " --> pdb=" O TRP q 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU q 92 " --> pdb=" O GLU q 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU q 93 " --> pdb=" O LEU q 89 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ARG q 94 " --> pdb=" O ASP q 90 " (cutoff:3.500A) Processing helix chain 'q' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU q 105 " --> pdb=" O LEU q 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE q 114 " --> pdb=" O LYS q 110 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N GLU q 115 " --> pdb=" O VAL q 111 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N ASP q 116 " --> pdb=" O ALA q 112 " (cutoff:3.500A) Processing helix chain 'q' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU q 148 " --> pdb=" O THR q 144 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N LEU q 149 " --> pdb=" O PRO q 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL q 153 " --> pdb=" O LEU q 149 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N SER q 157 " --> pdb=" O VAL q 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE q 158 " --> pdb=" O ARG q 154 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ASP q 162 " --> pdb=" O ILE q 158 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLY q 163 " --> pdb=" O PHE q 159 " (cutoff:3.500A) Processing helix chain 'q' and resid 173 through 184 removed outlier: 4.127A pdb=" N TRP q 177 " --> pdb=" O ASN q 173 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N GLU q 184 " --> pdb=" O PHE q 180 " (cutoff:3.500A) Processing helix chain 'q' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG q 193 " --> pdb=" O PRO q 189 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N CYS q 197 " --> pdb=" O ARG q 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU q 198 " --> pdb=" O VAL q 194 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ARG q 199 " --> pdb=" O GLU q 195 " (cutoff:3.500A) Processing helix chain 'r' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG r 22 " --> pdb=" O GLU r 18 " (cutoff:3.500A) removed outlier: 4.071A pdb=" N ALA r 23 " --> pdb=" O ILE r 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG r 24 " --> pdb=" O ASP r 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU r 25 " --> pdb=" O ASN r 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE r 26 " --> pdb=" O ARG r 22 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR r 29 " --> pdb=" O GLU r 25 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU r 31 " --> pdb=" O PHE r 27 " (cutoff:3.500A) Processing helix chain 'r' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN r 91 " --> pdb=" O TRP r 87 " (cutoff:3.500A) removed outlier: 4.894A pdb=" N LEU r 92 " --> pdb=" O GLU r 88 " (cutoff:3.500A) removed outlier: 5.108A pdb=" N GLU r 93 " --> pdb=" O LEU r 89 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ARG r 94 " --> pdb=" O ASP r 90 " (cutoff:3.500A) Processing helix chain 'r' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU r 105 " --> pdb=" O LEU r 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE r 114 " --> pdb=" O LYS r 110 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N GLU r 115 " --> pdb=" O VAL r 111 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N ASP r 116 " --> pdb=" O ALA r 112 " (cutoff:3.500A) Processing helix chain 'r' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU r 148 " --> pdb=" O THR r 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU r 149 " --> pdb=" O PRO r 145 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N VAL r 153 " --> pdb=" O LEU r 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER r 157 " --> pdb=" O VAL r 153 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N ILE r 158 " --> pdb=" O ARG r 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP r 162 " --> pdb=" O ILE r 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY r 163 " --> pdb=" O PHE r 159 " (cutoff:3.500A) Processing helix chain 'r' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP r 177 " --> pdb=" O ASN r 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU r 184 " --> pdb=" O PHE r 180 " (cutoff:3.500A) Processing helix chain 'r' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG r 193 " --> pdb=" O PRO r 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS r 197 " --> pdb=" O ARG r 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU r 198 " --> pdb=" O VAL r 194 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ARG r 199 " --> pdb=" O GLU r 195 " (cutoff:3.500A) Processing helix chain 's' and resid 12 through 31 removed outlier: 3.830A pdb=" N ARG s 22 " --> pdb=" O GLU s 18 " (cutoff:3.500A) removed outlier: 4.071A pdb=" N ALA s 23 " --> pdb=" O ILE s 19 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N ARG s 24 " --> pdb=" O ASP s 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU s 25 " --> pdb=" O ASN s 21 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N ILE s 26 " --> pdb=" O ARG s 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR s 29 " --> pdb=" O GLU s 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU s 31 " --> pdb=" O PHE s 27 " (cutoff:3.500A) Processing helix chain 's' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN s 91 " --> pdb=" O TRP s 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU s 92 " --> pdb=" O GLU s 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU s 93 " --> pdb=" O LEU s 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG s 94 " --> pdb=" O ASP s 90 " (cutoff:3.500A) Processing helix chain 's' and resid 101 through 121 removed outlier: 3.693A pdb=" N GLU s 105 " --> pdb=" O LEU s 101 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N PHE s 114 " --> pdb=" O LYS s 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU s 115 " --> pdb=" O VAL s 111 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N ASP s 116 " --> pdb=" O ALA s 112 " (cutoff:3.500A) Processing helix chain 's' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU s 148 " --> pdb=" O THR s 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU s 149 " --> pdb=" O PRO s 145 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N VAL s 153 " --> pdb=" O LEU s 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER s 157 " --> pdb=" O VAL s 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE s 158 " --> pdb=" O ARG s 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP s 162 " --> pdb=" O ILE s 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY s 163 " --> pdb=" O PHE s 159 " (cutoff:3.500A) Processing helix chain 's' and resid 173 through 184 removed outlier: 4.127A pdb=" N TRP s 177 " --> pdb=" O ASN s 173 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N GLU s 184 " --> pdb=" O PHE s 180 " (cutoff:3.500A) Processing helix chain 's' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG s 193 " --> pdb=" O PRO s 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS s 197 " --> pdb=" O ARG s 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU s 198 " --> pdb=" O VAL s 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG s 199 " --> pdb=" O GLU s 195 " (cutoff:3.500A) Processing helix chain 't' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG t 22 " --> pdb=" O GLU t 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA t 23 " --> pdb=" O ILE t 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG t 24 " --> pdb=" O ASP t 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU t 25 " --> pdb=" O ASN t 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE t 26 " --> pdb=" O ARG t 22 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR t 29 " --> pdb=" O GLU t 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU t 31 " --> pdb=" O PHE t 27 " (cutoff:3.500A) Processing helix chain 't' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN t 91 " --> pdb=" O TRP t 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU t 92 " --> pdb=" O GLU t 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU t 93 " --> pdb=" O LEU t 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG t 94 " --> pdb=" O ASP t 90 " (cutoff:3.500A) Processing helix chain 't' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU t 105 " --> pdb=" O LEU t 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE t 114 " --> pdb=" O LYS t 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU t 115 " --> pdb=" O VAL t 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP t 116 " --> pdb=" O ALA t 112 " (cutoff:3.500A) Processing helix chain 't' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU t 148 " --> pdb=" O THR t 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU t 149 " --> pdb=" O PRO t 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL t 153 " --> pdb=" O LEU t 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER t 157 " --> pdb=" O VAL t 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE t 158 " --> pdb=" O ARG t 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP t 162 " --> pdb=" O ILE t 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY t 163 " --> pdb=" O PHE t 159 " (cutoff:3.500A) Processing helix chain 't' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP t 177 " --> pdb=" O ASN t 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU t 184 " --> pdb=" O PHE t 180 " (cutoff:3.500A) Processing helix chain 't' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG t 193 " --> pdb=" O PRO t 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS t 197 " --> pdb=" O ARG t 193 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU t 198 " --> pdb=" O VAL t 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG t 199 " --> pdb=" O GLU t 195 " (cutoff:3.500A) Processing helix chain 'u' and resid 12 through 31 removed outlier: 3.830A pdb=" N ARG u 22 " --> pdb=" O GLU u 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA u 23 " --> pdb=" O ILE u 19 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N ARG u 24 " --> pdb=" O ASP u 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU u 25 " --> pdb=" O ASN u 21 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N ILE u 26 " --> pdb=" O ARG u 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N THR u 29 " --> pdb=" O GLU u 25 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LEU u 31 " --> pdb=" O PHE u 27 " (cutoff:3.500A) Processing helix chain 'u' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN u 91 " --> pdb=" O TRP u 87 " (cutoff:3.500A) removed outlier: 4.894A pdb=" N LEU u 92 " --> pdb=" O GLU u 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU u 93 " --> pdb=" O LEU u 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG u 94 " --> pdb=" O ASP u 90 " (cutoff:3.500A) Processing helix chain 'u' and resid 101 through 121 removed outlier: 3.691A pdb=" N GLU u 105 " --> pdb=" O LEU u 101 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N PHE u 114 " --> pdb=" O LYS u 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU u 115 " --> pdb=" O VAL u 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP u 116 " --> pdb=" O ALA u 112 " (cutoff:3.500A) Processing helix chain 'u' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU u 148 " --> pdb=" O THR u 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU u 149 " --> pdb=" O PRO u 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL u 153 " --> pdb=" O LEU u 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER u 157 " --> pdb=" O VAL u 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE u 158 " --> pdb=" O ARG u 154 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ASP u 162 " --> pdb=" O ILE u 158 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLY u 163 " --> pdb=" O PHE u 159 " (cutoff:3.500A) Processing helix chain 'u' and resid 173 through 184 removed outlier: 4.127A pdb=" N TRP u 177 " --> pdb=" O ASN u 173 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N GLU u 184 " --> pdb=" O PHE u 180 " (cutoff:3.500A) Processing helix chain 'u' and resid 189 through 199 removed outlier: 3.521A pdb=" N ARG u 193 " --> pdb=" O PRO u 189 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N CYS u 197 " --> pdb=" O ARG u 193 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU u 198 " --> pdb=" O VAL u 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG u 199 " --> pdb=" O GLU u 195 " (cutoff:3.500A) Processing helix chain 'v' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG v 22 " --> pdb=" O GLU v 18 " (cutoff:3.500A) removed outlier: 4.071A pdb=" N ALA v 23 " --> pdb=" O ILE v 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG v 24 " --> pdb=" O ASP v 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU v 25 " --> pdb=" O ASN v 21 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N ILE v 26 " --> pdb=" O ARG v 22 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR v 29 " --> pdb=" O GLU v 25 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU v 31 " --> pdb=" O PHE v 27 " (cutoff:3.500A) Processing helix chain 'v' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN v 91 " --> pdb=" O TRP v 87 " (cutoff:3.500A) removed outlier: 4.894A pdb=" N LEU v 92 " --> pdb=" O GLU v 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU v 93 " --> pdb=" O LEU v 89 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N ARG v 94 " --> pdb=" O ASP v 90 " (cutoff:3.500A) Processing helix chain 'v' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU v 105 " --> pdb=" O LEU v 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE v 114 " --> pdb=" O LYS v 110 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N GLU v 115 " --> pdb=" O VAL v 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP v 116 " --> pdb=" O ALA v 112 " (cutoff:3.500A) Processing helix chain 'v' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU v 148 " --> pdb=" O THR v 144 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N LEU v 149 " --> pdb=" O PRO v 145 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N VAL v 153 " --> pdb=" O LEU v 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER v 157 " --> pdb=" O VAL v 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE v 158 " --> pdb=" O ARG v 154 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ASP v 162 " --> pdb=" O ILE v 158 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLY v 163 " --> pdb=" O PHE v 159 " (cutoff:3.500A) Processing helix chain 'v' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP v 177 " --> pdb=" O ASN v 173 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLU v 184 " --> pdb=" O PHE v 180 " (cutoff:3.500A) Processing helix chain 'v' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG v 193 " --> pdb=" O PRO v 189 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N CYS v 197 " --> pdb=" O ARG v 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU v 198 " --> pdb=" O VAL v 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG v 199 " --> pdb=" O GLU v 195 " (cutoff:3.500A) Processing helix chain 'w' and resid 12 through 31 removed outlier: 3.830A pdb=" N ARG w 22 " --> pdb=" O GLU w 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA w 23 " --> pdb=" O ILE w 19 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG w 24 " --> pdb=" O ASP w 20 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N GLU w 25 " --> pdb=" O ASN w 21 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N ILE w 26 " --> pdb=" O ARG w 22 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR w 29 " --> pdb=" O GLU w 25 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU w 31 " --> pdb=" O PHE w 27 " (cutoff:3.500A) Processing helix chain 'w' and resid 85 through 95 removed outlier: 3.837A pdb=" N ASN w 91 " --> pdb=" O TRP w 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU w 92 " --> pdb=" O GLU w 88 " (cutoff:3.500A) removed outlier: 5.109A pdb=" N GLU w 93 " --> pdb=" O LEU w 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG w 94 " --> pdb=" O ASP w 90 " (cutoff:3.500A) Processing helix chain 'w' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU w 105 " --> pdb=" O LEU w 101 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N PHE w 114 " --> pdb=" O LYS w 110 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N GLU w 115 " --> pdb=" O VAL w 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP w 116 " --> pdb=" O ALA w 112 " (cutoff:3.500A) Processing helix chain 'w' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU w 148 " --> pdb=" O THR w 144 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N LEU w 149 " --> pdb=" O PRO w 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL w 153 " --> pdb=" O LEU w 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER w 157 " --> pdb=" O VAL w 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE w 158 " --> pdb=" O ARG w 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP w 162 " --> pdb=" O ILE w 158 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N GLY w 163 " --> pdb=" O PHE w 159 " (cutoff:3.500A) Processing helix chain 'w' and resid 173 through 184 removed outlier: 4.125A pdb=" N TRP w 177 " --> pdb=" O ASN w 173 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N GLU w 184 " --> pdb=" O PHE w 180 " (cutoff:3.500A) Processing helix chain 'w' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG w 193 " --> pdb=" O PRO w 189 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N CYS w 197 " --> pdb=" O ARG w 193 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N LEU w 198 " --> pdb=" O VAL w 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG w 199 " --> pdb=" O GLU w 195 " (cutoff:3.500A) Processing helix chain 'x' and resid 12 through 31 removed outlier: 3.831A pdb=" N ARG x 22 " --> pdb=" O GLU x 18 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N ALA x 23 " --> pdb=" O ILE x 19 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N ARG x 24 " --> pdb=" O ASP x 20 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLU x 25 " --> pdb=" O ASN x 21 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ILE x 26 " --> pdb=" O ARG x 22 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N THR x 29 " --> pdb=" O GLU x 25 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU x 31 " --> pdb=" O PHE x 27 " (cutoff:3.500A) Processing helix chain 'x' and resid 85 through 95 removed outlier: 3.838A pdb=" N ASN x 91 " --> pdb=" O TRP x 87 " (cutoff:3.500A) removed outlier: 4.893A pdb=" N LEU x 92 " --> pdb=" O GLU x 88 " (cutoff:3.500A) removed outlier: 5.108A pdb=" N GLU x 93 " --> pdb=" O LEU x 89 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ARG x 94 " --> pdb=" O ASP x 90 " (cutoff:3.500A) Processing helix chain 'x' and resid 101 through 121 removed outlier: 3.692A pdb=" N GLU x 105 " --> pdb=" O LEU x 101 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N PHE x 114 " --> pdb=" O LYS x 110 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N GLU x 115 " --> pdb=" O VAL x 111 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ASP x 116 " --> pdb=" O ALA x 112 " (cutoff:3.500A) Processing helix chain 'x' and resid 144 through 163 removed outlier: 3.904A pdb=" N LEU x 148 " --> pdb=" O THR x 144 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N LEU x 149 " --> pdb=" O PRO x 145 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VAL x 153 " --> pdb=" O LEU x 149 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N SER x 157 " --> pdb=" O VAL x 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE x 158 " --> pdb=" O ARG x 154 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ASP x 162 " --> pdb=" O ILE x 158 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLY x 163 " --> pdb=" O PHE x 159 " (cutoff:3.500A) Processing helix chain 'x' and resid 173 through 184 removed outlier: 4.126A pdb=" N TRP x 177 " --> pdb=" O ASN x 173 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N GLU x 184 " --> pdb=" O PHE x 180 " (cutoff:3.500A) Processing helix chain 'x' and resid 189 through 199 removed outlier: 3.522A pdb=" N ARG x 193 " --> pdb=" O PRO x 189 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N CYS x 197 " --> pdb=" O ARG x 193 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU x 198 " --> pdb=" O VAL x 194 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG x 199 " --> pdb=" O GLU x 195 " (cutoff:3.500A) Processing sheet with id= 1, first strand: chain 'A' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU A 226 " --> pdb=" O GLU A 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP A 221 " --> pdb=" O VAL A 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR A 249 " --> pdb=" O GLY A 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU A 248 " --> pdb=" O LEU A 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE A 252 " --> pdb=" O PRO A 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL A 254 " --> pdb=" O SER A 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER A 72 " --> pdb=" O VAL A 254 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'A' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG A 137 " --> pdb=" O LEU A 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA A 259 " --> pdb=" O SER A 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER A 216 " --> pdb=" O ALA A 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA A 212 " --> pdb=" O LEU A 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS A 202 " --> pdb=" O TYR A 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU A 170 " --> pdb=" O LYS A 202 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain 'A' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG A 243 " --> pdb=" O GLU A 235 " (cutoff:3.500A) Processing sheet with id= 4, first strand: chain 'B' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU B 226 " --> pdb=" O GLU B 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP B 221 " --> pdb=" O VAL B 255 " (cutoff:3.500A) removed outlier: 6.928A pdb=" N THR B 249 " --> pdb=" O GLY B 227 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N GLU B 248 " --> pdb=" O LEU B 78 " (cutoff:3.500A) removed outlier: 6.807A pdb=" N PHE B 252 " --> pdb=" O PRO B 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL B 254 " --> pdb=" O SER B 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER B 72 " --> pdb=" O VAL B 254 " (cutoff:3.500A) Processing sheet with id= 5, first strand: chain 'B' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG B 137 " --> pdb=" O LEU B 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA B 259 " --> pdb=" O SER B 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER B 216 " --> pdb=" O ALA B 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA B 212 " --> pdb=" O LEU B 263 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N LYS B 202 " --> pdb=" O TYR B 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU B 170 " --> pdb=" O LYS B 202 " (cutoff:3.500A) Processing sheet with id= 6, first strand: chain 'B' and resid 230 through 235 removed outlier: 6.978A pdb=" N ARG B 243 " --> pdb=" O GLU B 235 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'C' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU C 226 " --> pdb=" O GLU C 40 " (cutoff:3.500A) removed outlier: 7.650A pdb=" N ASP C 221 " --> pdb=" O VAL C 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR C 249 " --> pdb=" O GLY C 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU C 248 " --> pdb=" O LEU C 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE C 252 " --> pdb=" O PRO C 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL C 254 " --> pdb=" O SER C 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER C 72 " --> pdb=" O VAL C 254 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'C' and resid 137 through 141 removed outlier: 6.214A pdb=" N ARG C 137 " --> pdb=" O LEU C 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA C 259 " --> pdb=" O SER C 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER C 216 " --> pdb=" O ALA C 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA C 212 " --> pdb=" O LEU C 263 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N LYS C 202 " --> pdb=" O TYR C 168 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N LEU C 170 " --> pdb=" O LYS C 202 " (cutoff:3.500A) Processing sheet with id= 9, first strand: chain 'C' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG C 243 " --> pdb=" O GLU C 235 " (cutoff:3.500A) Processing sheet with id= 10, first strand: chain 'D' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU D 226 " --> pdb=" O GLU D 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP D 221 " --> pdb=" O VAL D 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR D 249 " --> pdb=" O GLY D 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU D 248 " --> pdb=" O LEU D 78 " (cutoff:3.500A) removed outlier: 6.807A pdb=" N PHE D 252 " --> pdb=" O PRO D 74 " (cutoff:3.500A) removed outlier: 12.869A pdb=" N VAL D 254 " --> pdb=" O SER D 72 " (cutoff:3.500A) removed outlier: 14.110A pdb=" N SER D 72 " --> pdb=" O VAL D 254 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'D' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG D 137 " --> pdb=" O LEU D 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA D 259 " --> pdb=" O SER D 216 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N SER D 216 " --> pdb=" O ALA D 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA D 212 " --> pdb=" O LEU D 263 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N LYS D 202 " --> pdb=" O TYR D 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU D 170 " --> pdb=" O LYS D 202 " (cutoff:3.500A) Processing sheet with id= 12, first strand: chain 'D' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG D 243 " --> pdb=" O GLU D 235 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'E' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU E 226 " --> pdb=" O GLU E 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP E 221 " --> pdb=" O VAL E 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR E 249 " --> pdb=" O GLY E 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU E 248 " --> pdb=" O LEU E 78 " (cutoff:3.500A) removed outlier: 6.805A pdb=" N PHE E 252 " --> pdb=" O PRO E 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL E 254 " --> pdb=" O SER E 72 " (cutoff:3.500A) removed outlier: 14.108A pdb=" N SER E 72 " --> pdb=" O VAL E 254 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'E' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG E 137 " --> pdb=" O LEU E 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA E 259 " --> pdb=" O SER E 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER E 216 " --> pdb=" O ALA E 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA E 212 " --> pdb=" O LEU E 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS E 202 " --> pdb=" O TYR E 168 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N LEU E 170 " --> pdb=" O LYS E 202 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'E' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG E 243 " --> pdb=" O GLU E 235 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'F' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU F 226 " --> pdb=" O GLU F 40 " (cutoff:3.500A) removed outlier: 7.650A pdb=" N ASP F 221 " --> pdb=" O VAL F 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR F 249 " --> pdb=" O GLY F 227 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N GLU F 248 " --> pdb=" O LEU F 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE F 252 " --> pdb=" O PRO F 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL F 254 " --> pdb=" O SER F 72 " (cutoff:3.500A) removed outlier: 14.110A pdb=" N SER F 72 " --> pdb=" O VAL F 254 " (cutoff:3.500A) Processing sheet with id= 17, first strand: chain 'F' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG F 137 " --> pdb=" O LEU F 260 " (cutoff:3.500A) removed outlier: 7.438A pdb=" N ALA F 259 " --> pdb=" O SER F 216 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N SER F 216 " --> pdb=" O ALA F 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA F 212 " --> pdb=" O LEU F 263 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N LYS F 202 " --> pdb=" O TYR F 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU F 170 " --> pdb=" O LYS F 202 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain 'F' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG F 243 " --> pdb=" O GLU F 235 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'G' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU G 226 " --> pdb=" O GLU G 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP G 221 " --> pdb=" O VAL G 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR G 249 " --> pdb=" O GLY G 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU G 248 " --> pdb=" O LEU G 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE G 252 " --> pdb=" O PRO G 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL G 254 " --> pdb=" O SER G 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER G 72 " --> pdb=" O VAL G 254 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'G' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG G 137 " --> pdb=" O LEU G 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA G 259 " --> pdb=" O SER G 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER G 216 " --> pdb=" O ALA G 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA G 212 " --> pdb=" O LEU G 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS G 202 " --> pdb=" O TYR G 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU G 170 " --> pdb=" O LYS G 202 " (cutoff:3.500A) Processing sheet with id= 21, first strand: chain 'G' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG G 243 " --> pdb=" O GLU G 235 " (cutoff:3.500A) Processing sheet with id= 22, first strand: chain 'H' and resid 37 through 42 removed outlier: 3.914A pdb=" N LEU H 226 " --> pdb=" O GLU H 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP H 221 " --> pdb=" O VAL H 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR H 249 " --> pdb=" O GLY H 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU H 248 " --> pdb=" O LEU H 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE H 252 " --> pdb=" O PRO H 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL H 254 " --> pdb=" O SER H 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER H 72 " --> pdb=" O VAL H 254 " (cutoff:3.500A) Processing sheet with id= 23, first strand: chain 'H' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG H 137 " --> pdb=" O LEU H 260 " (cutoff:3.500A) removed outlier: 7.438A pdb=" N ALA H 259 " --> pdb=" O SER H 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER H 216 " --> pdb=" O ALA H 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA H 212 " --> pdb=" O LEU H 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS H 202 " --> pdb=" O TYR H 168 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N LEU H 170 " --> pdb=" O LYS H 202 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'H' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG H 243 " --> pdb=" O GLU H 235 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'I' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU I 226 " --> pdb=" O GLU I 40 " (cutoff:3.500A) removed outlier: 7.650A pdb=" N ASP I 221 " --> pdb=" O VAL I 255 " (cutoff:3.500A) removed outlier: 6.930A pdb=" N THR I 249 " --> pdb=" O GLY I 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU I 248 " --> pdb=" O LEU I 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE I 252 " --> pdb=" O PRO I 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL I 254 " --> pdb=" O SER I 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER I 72 " --> pdb=" O VAL I 254 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'I' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG I 137 " --> pdb=" O LEU I 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA I 259 " --> pdb=" O SER I 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER I 216 " --> pdb=" O ALA I 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA I 212 " --> pdb=" O LEU I 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS I 202 " --> pdb=" O TYR I 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU I 170 " --> pdb=" O LYS I 202 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'I' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG I 243 " --> pdb=" O GLU I 235 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 'J' and resid 37 through 42 removed outlier: 3.914A pdb=" N LEU J 226 " --> pdb=" O GLU J 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP J 221 " --> pdb=" O VAL J 255 " (cutoff:3.500A) removed outlier: 6.930A pdb=" N THR J 249 " --> pdb=" O GLY J 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU J 248 " --> pdb=" O LEU J 78 " (cutoff:3.500A) removed outlier: 6.807A pdb=" N PHE J 252 " --> pdb=" O PRO J 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL J 254 " --> pdb=" O SER J 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER J 72 " --> pdb=" O VAL J 254 " (cutoff:3.500A) Processing sheet with id= 29, first strand: chain 'J' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG J 137 " --> pdb=" O LEU J 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA J 259 " --> pdb=" O SER J 216 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N SER J 216 " --> pdb=" O ALA J 259 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ALA J 212 " --> pdb=" O LEU J 263 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N LYS J 202 " --> pdb=" O TYR J 168 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N LEU J 170 " --> pdb=" O LYS J 202 " (cutoff:3.500A) Processing sheet with id= 30, first strand: chain 'J' and resid 230 through 235 removed outlier: 6.978A pdb=" N ARG J 243 " --> pdb=" O GLU J 235 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'K' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU K 226 " --> pdb=" O GLU K 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP K 221 " --> pdb=" O VAL K 255 " (cutoff:3.500A) removed outlier: 6.930A pdb=" N THR K 249 " --> pdb=" O GLY K 227 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N GLU K 248 " --> pdb=" O LEU K 78 " (cutoff:3.500A) removed outlier: 6.807A pdb=" N PHE K 252 " --> pdb=" O PRO K 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL K 254 " --> pdb=" O SER K 72 " (cutoff:3.500A) removed outlier: 14.110A pdb=" N SER K 72 " --> pdb=" O VAL K 254 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain 'K' and resid 137 through 141 removed outlier: 6.214A pdb=" N ARG K 137 " --> pdb=" O LEU K 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA K 259 " --> pdb=" O SER K 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER K 216 " --> pdb=" O ALA K 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA K 212 " --> pdb=" O LEU K 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS K 202 " --> pdb=" O TYR K 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU K 170 " --> pdb=" O LYS K 202 " (cutoff:3.500A) Processing sheet with id= 33, first strand: chain 'K' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG K 243 " --> pdb=" O GLU K 235 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain 'L' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU L 226 " --> pdb=" O GLU L 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP L 221 " --> pdb=" O VAL L 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR L 249 " --> pdb=" O GLY L 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU L 248 " --> pdb=" O LEU L 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE L 252 " --> pdb=" O PRO L 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL L 254 " --> pdb=" O SER L 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER L 72 " --> pdb=" O VAL L 254 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'L' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG L 137 " --> pdb=" O LEU L 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA L 259 " --> pdb=" O SER L 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER L 216 " --> pdb=" O ALA L 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA L 212 " --> pdb=" O LEU L 263 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N LYS L 202 " --> pdb=" O TYR L 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU L 170 " --> pdb=" O LYS L 202 " (cutoff:3.500A) Processing sheet with id= 36, first strand: chain 'L' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG L 243 " --> pdb=" O GLU L 235 " (cutoff:3.500A) Processing sheet with id= 37, first strand: chain 'M' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU M 226 " --> pdb=" O GLU M 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP M 221 " --> pdb=" O VAL M 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR M 249 " --> pdb=" O GLY M 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU M 248 " --> pdb=" O LEU M 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE M 252 " --> pdb=" O PRO M 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL M 254 " --> pdb=" O SER M 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER M 72 " --> pdb=" O VAL M 254 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'M' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG M 137 " --> pdb=" O LEU M 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA M 259 " --> pdb=" O SER M 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER M 216 " --> pdb=" O ALA M 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA M 212 " --> pdb=" O LEU M 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS M 202 " --> pdb=" O TYR M 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU M 170 " --> pdb=" O LYS M 202 " (cutoff:3.500A) Processing sheet with id= 39, first strand: chain 'M' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG M 243 " --> pdb=" O GLU M 235 " (cutoff:3.500A) Processing sheet with id= 40, first strand: chain 'N' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU N 226 " --> pdb=" O GLU N 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP N 221 " --> pdb=" O VAL N 255 " (cutoff:3.500A) removed outlier: 6.928A pdb=" N THR N 249 " --> pdb=" O GLY N 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU N 248 " --> pdb=" O LEU N 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE N 252 " --> pdb=" O PRO N 74 " (cutoff:3.500A) removed outlier: 12.869A pdb=" N VAL N 254 " --> pdb=" O SER N 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER N 72 " --> pdb=" O VAL N 254 " (cutoff:3.500A) Processing sheet with id= 41, first strand: chain 'N' and resid 137 through 141 removed outlier: 6.214A pdb=" N ARG N 137 " --> pdb=" O LEU N 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA N 259 " --> pdb=" O SER N 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER N 216 " --> pdb=" O ALA N 259 " (cutoff:3.500A) removed outlier: 4.111A pdb=" N ALA N 212 " --> pdb=" O LEU N 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS N 202 " --> pdb=" O TYR N 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU N 170 " --> pdb=" O LYS N 202 " (cutoff:3.500A) Processing sheet with id= 42, first strand: chain 'N' and resid 230 through 235 removed outlier: 6.978A pdb=" N ARG N 243 " --> pdb=" O GLU N 235 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'O' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU O 226 " --> pdb=" O GLU O 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP O 221 " --> pdb=" O VAL O 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR O 249 " --> pdb=" O GLY O 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU O 248 " --> pdb=" O LEU O 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE O 252 " --> pdb=" O PRO O 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL O 254 " --> pdb=" O SER O 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER O 72 " --> pdb=" O VAL O 254 " (cutoff:3.500A) Processing sheet with id= 44, first strand: chain 'O' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG O 137 " --> pdb=" O LEU O 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA O 259 " --> pdb=" O SER O 216 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N SER O 216 " --> pdb=" O ALA O 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA O 212 " --> pdb=" O LEU O 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS O 202 " --> pdb=" O TYR O 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU O 170 " --> pdb=" O LYS O 202 " (cutoff:3.500A) Processing sheet with id= 45, first strand: chain 'O' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG O 243 " --> pdb=" O GLU O 235 " (cutoff:3.500A) Processing sheet with id= 46, first strand: chain 'P' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU P 226 " --> pdb=" O GLU P 40 " (cutoff:3.500A) removed outlier: 7.650A pdb=" N ASP P 221 " --> pdb=" O VAL P 255 " (cutoff:3.500A) removed outlier: 6.930A pdb=" N THR P 249 " --> pdb=" O GLY P 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU P 248 " --> pdb=" O LEU P 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE P 252 " --> pdb=" O PRO P 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL P 254 " --> pdb=" O SER P 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER P 72 " --> pdb=" O VAL P 254 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'P' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG P 137 " --> pdb=" O LEU P 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA P 259 " --> pdb=" O SER P 216 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N SER P 216 " --> pdb=" O ALA P 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA P 212 " --> pdb=" O LEU P 263 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N LYS P 202 " --> pdb=" O TYR P 168 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N LEU P 170 " --> pdb=" O LYS P 202 " (cutoff:3.500A) Processing sheet with id= 48, first strand: chain 'P' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG P 243 " --> pdb=" O GLU P 235 " (cutoff:3.500A) Processing sheet with id= 49, first strand: chain 'Q' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU Q 226 " --> pdb=" O GLU Q 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP Q 221 " --> pdb=" O VAL Q 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR Q 249 " --> pdb=" O GLY Q 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU Q 248 " --> pdb=" O LEU Q 78 " (cutoff:3.500A) removed outlier: 6.807A pdb=" N PHE Q 252 " --> pdb=" O PRO Q 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL Q 254 " --> pdb=" O SER Q 72 " (cutoff:3.500A) removed outlier: 14.108A pdb=" N SER Q 72 " --> pdb=" O VAL Q 254 " (cutoff:3.500A) Processing sheet with id= 50, first strand: chain 'Q' and resid 137 through 141 removed outlier: 6.214A pdb=" N ARG Q 137 " --> pdb=" O LEU Q 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA Q 259 " --> pdb=" O SER Q 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER Q 216 " --> pdb=" O ALA Q 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA Q 212 " --> pdb=" O LEU Q 263 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N LYS Q 202 " --> pdb=" O TYR Q 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU Q 170 " --> pdb=" O LYS Q 202 " (cutoff:3.500A) Processing sheet with id= 51, first strand: chain 'Q' and resid 230 through 235 removed outlier: 6.978A pdb=" N ARG Q 243 " --> pdb=" O GLU Q 235 " (cutoff:3.500A) Processing sheet with id= 52, first strand: chain 'R' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU R 226 " --> pdb=" O GLU R 40 " (cutoff:3.500A) removed outlier: 7.650A pdb=" N ASP R 221 " --> pdb=" O VAL R 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR R 249 " --> pdb=" O GLY R 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU R 248 " --> pdb=" O LEU R 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE R 252 " --> pdb=" O PRO R 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL R 254 " --> pdb=" O SER R 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER R 72 " --> pdb=" O VAL R 254 " (cutoff:3.500A) Processing sheet with id= 53, first strand: chain 'R' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG R 137 " --> pdb=" O LEU R 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA R 259 " --> pdb=" O SER R 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER R 216 " --> pdb=" O ALA R 259 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ALA R 212 " --> pdb=" O LEU R 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS R 202 " --> pdb=" O TYR R 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU R 170 " --> pdb=" O LYS R 202 " (cutoff:3.500A) Processing sheet with id= 54, first strand: chain 'R' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG R 243 " --> pdb=" O GLU R 235 " (cutoff:3.500A) Processing sheet with id= 55, first strand: chain 'S' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU S 226 " --> pdb=" O GLU S 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP S 221 " --> pdb=" O VAL S 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR S 249 " --> pdb=" O GLY S 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU S 248 " --> pdb=" O LEU S 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE S 252 " --> pdb=" O PRO S 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL S 254 " --> pdb=" O SER S 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER S 72 " --> pdb=" O VAL S 254 " (cutoff:3.500A) Processing sheet with id= 56, first strand: chain 'S' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG S 137 " --> pdb=" O LEU S 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA S 259 " --> pdb=" O SER S 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER S 216 " --> pdb=" O ALA S 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA S 212 " --> pdb=" O LEU S 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS S 202 " --> pdb=" O TYR S 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU S 170 " --> pdb=" O LYS S 202 " (cutoff:3.500A) Processing sheet with id= 57, first strand: chain 'S' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG S 243 " --> pdb=" O GLU S 235 " (cutoff:3.500A) Processing sheet with id= 58, first strand: chain 'T' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU T 226 " --> pdb=" O GLU T 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP T 221 " --> pdb=" O VAL T 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR T 249 " --> pdb=" O GLY T 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU T 248 " --> pdb=" O LEU T 78 " (cutoff:3.500A) removed outlier: 6.807A pdb=" N PHE T 252 " --> pdb=" O PRO T 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL T 254 " --> pdb=" O SER T 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER T 72 " --> pdb=" O VAL T 254 " (cutoff:3.500A) Processing sheet with id= 59, first strand: chain 'T' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG T 137 " --> pdb=" O LEU T 260 " (cutoff:3.500A) removed outlier: 7.438A pdb=" N ALA T 259 " --> pdb=" O SER T 216 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N SER T 216 " --> pdb=" O ALA T 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA T 212 " --> pdb=" O LEU T 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS T 202 " --> pdb=" O TYR T 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU T 170 " --> pdb=" O LYS T 202 " (cutoff:3.500A) Processing sheet with id= 60, first strand: chain 'T' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG T 243 " --> pdb=" O GLU T 235 " (cutoff:3.500A) Processing sheet with id= 61, first strand: chain 'U' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU U 226 " --> pdb=" O GLU U 40 " (cutoff:3.500A) removed outlier: 7.648A pdb=" N ASP U 221 " --> pdb=" O VAL U 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR U 249 " --> pdb=" O GLY U 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU U 248 " --> pdb=" O LEU U 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE U 252 " --> pdb=" O PRO U 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL U 254 " --> pdb=" O SER U 72 " (cutoff:3.500A) removed outlier: 14.108A pdb=" N SER U 72 " --> pdb=" O VAL U 254 " (cutoff:3.500A) Processing sheet with id= 62, first strand: chain 'U' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG U 137 " --> pdb=" O LEU U 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA U 259 " --> pdb=" O SER U 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER U 216 " --> pdb=" O ALA U 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA U 212 " --> pdb=" O LEU U 263 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N LYS U 202 " --> pdb=" O TYR U 168 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N LEU U 170 " --> pdb=" O LYS U 202 " (cutoff:3.500A) Processing sheet with id= 63, first strand: chain 'U' and resid 230 through 235 removed outlier: 6.978A pdb=" N ARG U 243 " --> pdb=" O GLU U 235 " (cutoff:3.500A) Processing sheet with id= 64, first strand: chain 'V' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU V 226 " --> pdb=" O GLU V 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP V 221 " --> pdb=" O VAL V 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR V 249 " --> pdb=" O GLY V 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU V 248 " --> pdb=" O LEU V 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE V 252 " --> pdb=" O PRO V 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL V 254 " --> pdb=" O SER V 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER V 72 " --> pdb=" O VAL V 254 " (cutoff:3.500A) Processing sheet with id= 65, first strand: chain 'V' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG V 137 " --> pdb=" O LEU V 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA V 259 " --> pdb=" O SER V 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER V 216 " --> pdb=" O ALA V 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA V 212 " --> pdb=" O LEU V 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS V 202 " --> pdb=" O TYR V 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU V 170 " --> pdb=" O LYS V 202 " (cutoff:3.500A) Processing sheet with id= 66, first strand: chain 'V' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG V 243 " --> pdb=" O GLU V 235 " (cutoff:3.500A) Processing sheet with id= 67, first strand: chain 'W' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU W 226 " --> pdb=" O GLU W 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP W 221 " --> pdb=" O VAL W 255 " (cutoff:3.500A) removed outlier: 6.928A pdb=" N THR W 249 " --> pdb=" O GLY W 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU W 248 " --> pdb=" O LEU W 78 " (cutoff:3.500A) removed outlier: 6.807A pdb=" N PHE W 252 " --> pdb=" O PRO W 74 " (cutoff:3.500A) removed outlier: 12.869A pdb=" N VAL W 254 " --> pdb=" O SER W 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER W 72 " --> pdb=" O VAL W 254 " (cutoff:3.500A) Processing sheet with id= 68, first strand: chain 'W' and resid 137 through 141 removed outlier: 6.214A pdb=" N ARG W 137 " --> pdb=" O LEU W 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA W 259 " --> pdb=" O SER W 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER W 216 " --> pdb=" O ALA W 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA W 212 " --> pdb=" O LEU W 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS W 202 " --> pdb=" O TYR W 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU W 170 " --> pdb=" O LYS W 202 " (cutoff:3.500A) Processing sheet with id= 69, first strand: chain 'W' and resid 230 through 235 removed outlier: 6.978A pdb=" N ARG W 243 " --> pdb=" O GLU W 235 " (cutoff:3.500A) Processing sheet with id= 70, first strand: chain 'X' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU X 226 " --> pdb=" O GLU X 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP X 221 " --> pdb=" O VAL X 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR X 249 " --> pdb=" O GLY X 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU X 248 " --> pdb=" O LEU X 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE X 252 " --> pdb=" O PRO X 74 " (cutoff:3.500A) removed outlier: 12.869A pdb=" N VAL X 254 " --> pdb=" O SER X 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER X 72 " --> pdb=" O VAL X 254 " (cutoff:3.500A) Processing sheet with id= 71, first strand: chain 'X' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG X 137 " --> pdb=" O LEU X 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA X 259 " --> pdb=" O SER X 216 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N SER X 216 " --> pdb=" O ALA X 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA X 212 " --> pdb=" O LEU X 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS X 202 " --> pdb=" O TYR X 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU X 170 " --> pdb=" O LYS X 202 " (cutoff:3.500A) Processing sheet with id= 72, first strand: chain 'X' and resid 230 through 235 removed outlier: 6.978A pdb=" N ARG X 243 " --> pdb=" O GLU X 235 " (cutoff:3.500A) Processing sheet with id= 73, first strand: chain 'Y' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU Y 226 " --> pdb=" O GLU Y 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP Y 221 " --> pdb=" O VAL Y 255 " (cutoff:3.500A) removed outlier: 6.930A pdb=" N THR Y 249 " --> pdb=" O GLY Y 227 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N GLU Y 248 " --> pdb=" O LEU Y 78 " (cutoff:3.500A) removed outlier: 6.805A pdb=" N PHE Y 252 " --> pdb=" O PRO Y 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL Y 254 " --> pdb=" O SER Y 72 " (cutoff:3.500A) removed outlier: 14.108A pdb=" N SER Y 72 " --> pdb=" O VAL Y 254 " (cutoff:3.500A) Processing sheet with id= 74, first strand: chain 'Y' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG Y 137 " --> pdb=" O LEU Y 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA Y 259 " --> pdb=" O SER Y 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER Y 216 " --> pdb=" O ALA Y 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA Y 212 " --> pdb=" O LEU Y 263 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N LYS Y 202 " --> pdb=" O TYR Y 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU Y 170 " --> pdb=" O LYS Y 202 " (cutoff:3.500A) Processing sheet with id= 75, first strand: chain 'Y' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG Y 243 " --> pdb=" O GLU Y 235 " (cutoff:3.500A) Processing sheet with id= 76, first strand: chain 'Z' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU Z 226 " --> pdb=" O GLU Z 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP Z 221 " --> pdb=" O VAL Z 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR Z 249 " --> pdb=" O GLY Z 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU Z 248 " --> pdb=" O LEU Z 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE Z 252 " --> pdb=" O PRO Z 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL Z 254 " --> pdb=" O SER Z 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER Z 72 " --> pdb=" O VAL Z 254 " (cutoff:3.500A) Processing sheet with id= 77, first strand: chain 'Z' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG Z 137 " --> pdb=" O LEU Z 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA Z 259 " --> pdb=" O SER Z 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER Z 216 " --> pdb=" O ALA Z 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA Z 212 " --> pdb=" O LEU Z 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS Z 202 " --> pdb=" O TYR Z 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU Z 170 " --> pdb=" O LYS Z 202 " (cutoff:3.500A) Processing sheet with id= 78, first strand: chain 'Z' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG Z 243 " --> pdb=" O GLU Z 235 " (cutoff:3.500A) Processing sheet with id= 79, first strand: chain '0' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU 0 226 " --> pdb=" O GLU 0 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP 0 221 " --> pdb=" O VAL 0 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR 0 249 " --> pdb=" O GLY 0 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU 0 248 " --> pdb=" O LEU 0 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE 0 252 " --> pdb=" O PRO 0 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL 0 254 " --> pdb=" O SER 0 72 " (cutoff:3.500A) removed outlier: 14.108A pdb=" N SER 0 72 " --> pdb=" O VAL 0 254 " (cutoff:3.500A) Processing sheet with id= 80, first strand: chain '0' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG 0 137 " --> pdb=" O LEU 0 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA 0 259 " --> pdb=" O SER 0 216 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N SER 0 216 " --> pdb=" O ALA 0 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA 0 212 " --> pdb=" O LEU 0 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS 0 202 " --> pdb=" O TYR 0 168 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N LEU 0 170 " --> pdb=" O LYS 0 202 " (cutoff:3.500A) Processing sheet with id= 81, first strand: chain '0' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG 0 243 " --> pdb=" O GLU 0 235 " (cutoff:3.500A) Processing sheet with id= 82, first strand: chain '1' and resid 37 through 42 removed outlier: 3.912A pdb=" N LEU 1 226 " --> pdb=" O GLU 1 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP 1 221 " --> pdb=" O VAL 1 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR 1 249 " --> pdb=" O GLY 1 227 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N GLU 1 248 " --> pdb=" O LEU 1 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE 1 252 " --> pdb=" O PRO 1 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL 1 254 " --> pdb=" O SER 1 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER 1 72 " --> pdb=" O VAL 1 254 " (cutoff:3.500A) Processing sheet with id= 83, first strand: chain '1' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG 1 137 " --> pdb=" O LEU 1 260 " (cutoff:3.500A) removed outlier: 7.438A pdb=" N ALA 1 259 " --> pdb=" O SER 1 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER 1 216 " --> pdb=" O ALA 1 259 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N ALA 1 212 " --> pdb=" O LEU 1 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS 1 202 " --> pdb=" O TYR 1 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU 1 170 " --> pdb=" O LYS 1 202 " (cutoff:3.500A) Processing sheet with id= 84, first strand: chain '1' and resid 230 through 235 removed outlier: 6.978A pdb=" N ARG 1 243 " --> pdb=" O GLU 1 235 " (cutoff:3.500A) Processing sheet with id= 85, first strand: chain '2' and resid 37 through 42 removed outlier: 3.914A pdb=" N LEU 2 226 " --> pdb=" O GLU 2 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP 2 221 " --> pdb=" O VAL 2 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR 2 249 " --> pdb=" O GLY 2 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU 2 248 " --> pdb=" O LEU 2 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE 2 252 " --> pdb=" O PRO 2 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL 2 254 " --> pdb=" O SER 2 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER 2 72 " --> pdb=" O VAL 2 254 " (cutoff:3.500A) Processing sheet with id= 86, first strand: chain '2' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG 2 137 " --> pdb=" O LEU 2 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA 2 259 " --> pdb=" O SER 2 216 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N SER 2 216 " --> pdb=" O ALA 2 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA 2 212 " --> pdb=" O LEU 2 263 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N LYS 2 202 " --> pdb=" O TYR 2 168 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N LEU 2 170 " --> pdb=" O LYS 2 202 " (cutoff:3.500A) Processing sheet with id= 87, first strand: chain '2' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG 2 243 " --> pdb=" O GLU 2 235 " (cutoff:3.500A) Processing sheet with id= 88, first strand: chain '3' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU 3 226 " --> pdb=" O GLU 3 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP 3 221 " --> pdb=" O VAL 3 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR 3 249 " --> pdb=" O GLY 3 227 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N GLU 3 248 " --> pdb=" O LEU 3 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE 3 252 " --> pdb=" O PRO 3 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL 3 254 " --> pdb=" O SER 3 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER 3 72 " --> pdb=" O VAL 3 254 " (cutoff:3.500A) Processing sheet with id= 89, first strand: chain '3' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG 3 137 " --> pdb=" O LEU 3 260 " (cutoff:3.500A) removed outlier: 7.438A pdb=" N ALA 3 259 " --> pdb=" O SER 3 216 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N SER 3 216 " --> pdb=" O ALA 3 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA 3 212 " --> pdb=" O LEU 3 263 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N LYS 3 202 " --> pdb=" O TYR 3 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU 3 170 " --> pdb=" O LYS 3 202 " (cutoff:3.500A) Processing sheet with id= 90, first strand: chain '3' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG 3 243 " --> pdb=" O GLU 3 235 " (cutoff:3.500A) Processing sheet with id= 91, first strand: chain '4' and resid 37 through 42 removed outlier: 3.912A pdb=" N LEU 4 226 " --> pdb=" O GLU 4 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP 4 221 " --> pdb=" O VAL 4 255 " (cutoff:3.500A) removed outlier: 6.930A pdb=" N THR 4 249 " --> pdb=" O GLY 4 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU 4 248 " --> pdb=" O LEU 4 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE 4 252 " --> pdb=" O PRO 4 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL 4 254 " --> pdb=" O SER 4 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER 4 72 " --> pdb=" O VAL 4 254 " (cutoff:3.500A) Processing sheet with id= 92, first strand: chain '4' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG 4 137 " --> pdb=" O LEU 4 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA 4 259 " --> pdb=" O SER 4 216 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N SER 4 216 " --> pdb=" O ALA 4 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA 4 212 " --> pdb=" O LEU 4 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS 4 202 " --> pdb=" O TYR 4 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU 4 170 " --> pdb=" O LYS 4 202 " (cutoff:3.500A) Processing sheet with id= 93, first strand: chain '4' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG 4 243 " --> pdb=" O GLU 4 235 " (cutoff:3.500A) Processing sheet with id= 94, first strand: chain '5' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU 5 226 " --> pdb=" O GLU 5 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP 5 221 " --> pdb=" O VAL 5 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR 5 249 " --> pdb=" O GLY 5 227 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N GLU 5 248 " --> pdb=" O LEU 5 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE 5 252 " --> pdb=" O PRO 5 74 " (cutoff:3.500A) removed outlier: 12.871A pdb=" N VAL 5 254 " --> pdb=" O SER 5 72 " (cutoff:3.500A) removed outlier: 14.108A pdb=" N SER 5 72 " --> pdb=" O VAL 5 254 " (cutoff:3.500A) Processing sheet with id= 95, first strand: chain '5' and resid 137 through 141 removed outlier: 6.214A pdb=" N ARG 5 137 " --> pdb=" O LEU 5 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA 5 259 " --> pdb=" O SER 5 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER 5 216 " --> pdb=" O ALA 5 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA 5 212 " --> pdb=" O LEU 5 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS 5 202 " --> pdb=" O TYR 5 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU 5 170 " --> pdb=" O LYS 5 202 " (cutoff:3.500A) Processing sheet with id= 96, first strand: chain '5' and resid 230 through 235 removed outlier: 6.978A pdb=" N ARG 5 243 " --> pdb=" O GLU 5 235 " (cutoff:3.500A) Processing sheet with id= 97, first strand: chain '6' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU 6 226 " --> pdb=" O GLU 6 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP 6 221 " --> pdb=" O VAL 6 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR 6 249 " --> pdb=" O GLY 6 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU 6 248 " --> pdb=" O LEU 6 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE 6 252 " --> pdb=" O PRO 6 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL 6 254 " --> pdb=" O SER 6 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER 6 72 " --> pdb=" O VAL 6 254 " (cutoff:3.500A) Processing sheet with id= 98, first strand: chain '6' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG 6 137 " --> pdb=" O LEU 6 260 " (cutoff:3.500A) removed outlier: 7.438A pdb=" N ALA 6 259 " --> pdb=" O SER 6 216 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N SER 6 216 " --> pdb=" O ALA 6 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA 6 212 " --> pdb=" O LEU 6 263 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N LYS 6 202 " --> pdb=" O TYR 6 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU 6 170 " --> pdb=" O LYS 6 202 " (cutoff:3.500A) Processing sheet with id= 99, first strand: chain '6' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG 6 243 " --> pdb=" O GLU 6 235 " (cutoff:3.500A) Processing sheet with id=100, first strand: chain '7' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU 7 226 " --> pdb=" O GLU 7 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP 7 221 " --> pdb=" O VAL 7 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR 7 249 " --> pdb=" O GLY 7 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU 7 248 " --> pdb=" O LEU 7 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE 7 252 " --> pdb=" O PRO 7 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL 7 254 " --> pdb=" O SER 7 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER 7 72 " --> pdb=" O VAL 7 254 " (cutoff:3.500A) Processing sheet with id=101, first strand: chain '7' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG 7 137 " --> pdb=" O LEU 7 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA 7 259 " --> pdb=" O SER 7 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER 7 216 " --> pdb=" O ALA 7 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA 7 212 " --> pdb=" O LEU 7 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS 7 202 " --> pdb=" O TYR 7 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU 7 170 " --> pdb=" O LYS 7 202 " (cutoff:3.500A) Processing sheet with id=102, first strand: chain '7' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG 7 243 " --> pdb=" O GLU 7 235 " (cutoff:3.500A) Processing sheet with id=103, first strand: chain '8' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU 8 226 " --> pdb=" O GLU 8 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP 8 221 " --> pdb=" O VAL 8 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR 8 249 " --> pdb=" O GLY 8 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU 8 248 " --> pdb=" O LEU 8 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE 8 252 " --> pdb=" O PRO 8 74 " (cutoff:3.500A) removed outlier: 12.869A pdb=" N VAL 8 254 " --> pdb=" O SER 8 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER 8 72 " --> pdb=" O VAL 8 254 " (cutoff:3.500A) Processing sheet with id=104, first strand: chain '8' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG 8 137 " --> pdb=" O LEU 8 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA 8 259 " --> pdb=" O SER 8 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER 8 216 " --> pdb=" O ALA 8 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA 8 212 " --> pdb=" O LEU 8 263 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N LYS 8 202 " --> pdb=" O TYR 8 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU 8 170 " --> pdb=" O LYS 8 202 " (cutoff:3.500A) Processing sheet with id=105, first strand: chain '8' and resid 230 through 235 removed outlier: 6.978A pdb=" N ARG 8 243 " --> pdb=" O GLU 8 235 " (cutoff:3.500A) Processing sheet with id=106, first strand: chain '9' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU 9 226 " --> pdb=" O GLU 9 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP 9 221 " --> pdb=" O VAL 9 255 " (cutoff:3.500A) removed outlier: 6.930A pdb=" N THR 9 249 " --> pdb=" O GLY 9 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU 9 248 " --> pdb=" O LEU 9 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE 9 252 " --> pdb=" O PRO 9 74 " (cutoff:3.500A) removed outlier: 12.871A pdb=" N VAL 9 254 " --> pdb=" O SER 9 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER 9 72 " --> pdb=" O VAL 9 254 " (cutoff:3.500A) Processing sheet with id=107, first strand: chain '9' and resid 137 through 141 removed outlier: 6.214A pdb=" N ARG 9 137 " --> pdb=" O LEU 9 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA 9 259 " --> pdb=" O SER 9 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER 9 216 " --> pdb=" O ALA 9 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA 9 212 " --> pdb=" O LEU 9 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS 9 202 " --> pdb=" O TYR 9 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU 9 170 " --> pdb=" O LYS 9 202 " (cutoff:3.500A) Processing sheet with id=108, first strand: chain '9' and resid 230 through 235 removed outlier: 6.978A pdb=" N ARG 9 243 " --> pdb=" O GLU 9 235 " (cutoff:3.500A) Processing sheet with id=109, first strand: chain 'a' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU a 226 " --> pdb=" O GLU a 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP a 221 " --> pdb=" O VAL a 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR a 249 " --> pdb=" O GLY a 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU a 248 " --> pdb=" O LEU a 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE a 252 " --> pdb=" O PRO a 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL a 254 " --> pdb=" O SER a 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER a 72 " --> pdb=" O VAL a 254 " (cutoff:3.500A) Processing sheet with id=110, first strand: chain 'a' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG a 137 " --> pdb=" O LEU a 260 " (cutoff:3.500A) removed outlier: 7.438A pdb=" N ALA a 259 " --> pdb=" O SER a 216 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N SER a 216 " --> pdb=" O ALA a 259 " (cutoff:3.500A) removed outlier: 4.111A pdb=" N ALA a 212 " --> pdb=" O LEU a 263 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N LYS a 202 " --> pdb=" O TYR a 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU a 170 " --> pdb=" O LYS a 202 " (cutoff:3.500A) Processing sheet with id=111, first strand: chain 'a' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG a 243 " --> pdb=" O GLU a 235 " (cutoff:3.500A) Processing sheet with id=112, first strand: chain 'b' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU b 226 " --> pdb=" O GLU b 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP b 221 " --> pdb=" O VAL b 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR b 249 " --> pdb=" O GLY b 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU b 248 " --> pdb=" O LEU b 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE b 252 " --> pdb=" O PRO b 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL b 254 " --> pdb=" O SER b 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER b 72 " --> pdb=" O VAL b 254 " (cutoff:3.500A) Processing sheet with id=113, first strand: chain 'b' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG b 137 " --> pdb=" O LEU b 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA b 259 " --> pdb=" O SER b 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER b 216 " --> pdb=" O ALA b 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA b 212 " --> pdb=" O LEU b 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS b 202 " --> pdb=" O TYR b 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU b 170 " --> pdb=" O LYS b 202 " (cutoff:3.500A) Processing sheet with id=114, first strand: chain 'b' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG b 243 " --> pdb=" O GLU b 235 " (cutoff:3.500A) Processing sheet with id=115, first strand: chain 'c' and resid 37 through 42 removed outlier: 3.914A pdb=" N LEU c 226 " --> pdb=" O GLU c 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP c 221 " --> pdb=" O VAL c 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR c 249 " --> pdb=" O GLY c 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU c 248 " --> pdb=" O LEU c 78 " (cutoff:3.500A) removed outlier: 6.807A pdb=" N PHE c 252 " --> pdb=" O PRO c 74 " (cutoff:3.500A) removed outlier: 12.869A pdb=" N VAL c 254 " --> pdb=" O SER c 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER c 72 " --> pdb=" O VAL c 254 " (cutoff:3.500A) Processing sheet with id=116, first strand: chain 'c' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG c 137 " --> pdb=" O LEU c 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA c 259 " --> pdb=" O SER c 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER c 216 " --> pdb=" O ALA c 259 " (cutoff:3.500A) removed outlier: 4.111A pdb=" N ALA c 212 " --> pdb=" O LEU c 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS c 202 " --> pdb=" O TYR c 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU c 170 " --> pdb=" O LYS c 202 " (cutoff:3.500A) Processing sheet with id=117, first strand: chain 'c' and resid 230 through 235 removed outlier: 6.978A pdb=" N ARG c 243 " --> pdb=" O GLU c 235 " (cutoff:3.500A) Processing sheet with id=118, first strand: chain 'd' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU d 226 " --> pdb=" O GLU d 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP d 221 " --> pdb=" O VAL d 255 " (cutoff:3.500A) removed outlier: 6.930A pdb=" N THR d 249 " --> pdb=" O GLY d 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU d 248 " --> pdb=" O LEU d 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE d 252 " --> pdb=" O PRO d 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL d 254 " --> pdb=" O SER d 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER d 72 " --> pdb=" O VAL d 254 " (cutoff:3.500A) Processing sheet with id=119, first strand: chain 'd' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG d 137 " --> pdb=" O LEU d 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA d 259 " --> pdb=" O SER d 216 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N SER d 216 " --> pdb=" O ALA d 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA d 212 " --> pdb=" O LEU d 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS d 202 " --> pdb=" O TYR d 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU d 170 " --> pdb=" O LYS d 202 " (cutoff:3.500A) Processing sheet with id=120, first strand: chain 'd' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG d 243 " --> pdb=" O GLU d 235 " (cutoff:3.500A) Processing sheet with id=121, first strand: chain 'e' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU e 226 " --> pdb=" O GLU e 40 " (cutoff:3.500A) removed outlier: 7.650A pdb=" N ASP e 221 " --> pdb=" O VAL e 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR e 249 " --> pdb=" O GLY e 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU e 248 " --> pdb=" O LEU e 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE e 252 " --> pdb=" O PRO e 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL e 254 " --> pdb=" O SER e 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER e 72 " --> pdb=" O VAL e 254 " (cutoff:3.500A) Processing sheet with id=122, first strand: chain 'e' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG e 137 " --> pdb=" O LEU e 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA e 259 " --> pdb=" O SER e 216 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N SER e 216 " --> pdb=" O ALA e 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA e 212 " --> pdb=" O LEU e 263 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N LYS e 202 " --> pdb=" O TYR e 168 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N LEU e 170 " --> pdb=" O LYS e 202 " (cutoff:3.500A) Processing sheet with id=123, first strand: chain 'e' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG e 243 " --> pdb=" O GLU e 235 " (cutoff:3.500A) Processing sheet with id=124, first strand: chain 'f' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU f 226 " --> pdb=" O GLU f 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP f 221 " --> pdb=" O VAL f 255 " (cutoff:3.500A) removed outlier: 6.930A pdb=" N THR f 249 " --> pdb=" O GLY f 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU f 248 " --> pdb=" O LEU f 78 " (cutoff:3.500A) removed outlier: 6.807A pdb=" N PHE f 252 " --> pdb=" O PRO f 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL f 254 " --> pdb=" O SER f 72 " (cutoff:3.500A) removed outlier: 14.110A pdb=" N SER f 72 " --> pdb=" O VAL f 254 " (cutoff:3.500A) Processing sheet with id=125, first strand: chain 'f' and resid 137 through 141 removed outlier: 6.216A pdb=" N ARG f 137 " --> pdb=" O LEU f 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA f 259 " --> pdb=" O SER f 216 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N SER f 216 " --> pdb=" O ALA f 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA f 212 " --> pdb=" O LEU f 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS f 202 " --> pdb=" O TYR f 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU f 170 " --> pdb=" O LYS f 202 " (cutoff:3.500A) Processing sheet with id=126, first strand: chain 'f' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG f 243 " --> pdb=" O GLU f 235 " (cutoff:3.500A) Processing sheet with id=127, first strand: chain 'g' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU g 226 " --> pdb=" O GLU g 40 " (cutoff:3.500A) removed outlier: 7.650A pdb=" N ASP g 221 " --> pdb=" O VAL g 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR g 249 " --> pdb=" O GLY g 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU g 248 " --> pdb=" O LEU g 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE g 252 " --> pdb=" O PRO g 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL g 254 " --> pdb=" O SER g 72 " (cutoff:3.500A) removed outlier: 14.108A pdb=" N SER g 72 " --> pdb=" O VAL g 254 " (cutoff:3.500A) Processing sheet with id=128, first strand: chain 'g' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG g 137 " --> pdb=" O LEU g 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA g 259 " --> pdb=" O SER g 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER g 216 " --> pdb=" O ALA g 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA g 212 " --> pdb=" O LEU g 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS g 202 " --> pdb=" O TYR g 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU g 170 " --> pdb=" O LYS g 202 " (cutoff:3.500A) Processing sheet with id=129, first strand: chain 'g' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG g 243 " --> pdb=" O GLU g 235 " (cutoff:3.500A) Processing sheet with id=130, first strand: chain 'h' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU h 226 " --> pdb=" O GLU h 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP h 221 " --> pdb=" O VAL h 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR h 249 " --> pdb=" O GLY h 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU h 248 " --> pdb=" O LEU h 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE h 252 " --> pdb=" O PRO h 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL h 254 " --> pdb=" O SER h 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER h 72 " --> pdb=" O VAL h 254 " (cutoff:3.500A) Processing sheet with id=131, first strand: chain 'h' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG h 137 " --> pdb=" O LEU h 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA h 259 " --> pdb=" O SER h 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER h 216 " --> pdb=" O ALA h 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA h 212 " --> pdb=" O LEU h 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS h 202 " --> pdb=" O TYR h 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU h 170 " --> pdb=" O LYS h 202 " (cutoff:3.500A) Processing sheet with id=132, first strand: chain 'h' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG h 243 " --> pdb=" O GLU h 235 " (cutoff:3.500A) Processing sheet with id=133, first strand: chain 'i' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU i 226 " --> pdb=" O GLU i 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP i 221 " --> pdb=" O VAL i 255 " (cutoff:3.500A) removed outlier: 6.928A pdb=" N THR i 249 " --> pdb=" O GLY i 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU i 248 " --> pdb=" O LEU i 78 " (cutoff:3.500A) removed outlier: 6.807A pdb=" N PHE i 252 " --> pdb=" O PRO i 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL i 254 " --> pdb=" O SER i 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER i 72 " --> pdb=" O VAL i 254 " (cutoff:3.500A) Processing sheet with id=134, first strand: chain 'i' and resid 137 through 141 removed outlier: 6.214A pdb=" N ARG i 137 " --> pdb=" O LEU i 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA i 259 " --> pdb=" O SER i 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER i 216 " --> pdb=" O ALA i 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA i 212 " --> pdb=" O LEU i 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS i 202 " --> pdb=" O TYR i 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU i 170 " --> pdb=" O LYS i 202 " (cutoff:3.500A) Processing sheet with id=135, first strand: chain 'i' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG i 243 " --> pdb=" O GLU i 235 " (cutoff:3.500A) Processing sheet with id=136, first strand: chain 'j' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU j 226 " --> pdb=" O GLU j 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP j 221 " --> pdb=" O VAL j 255 " (cutoff:3.500A) removed outlier: 6.930A pdb=" N THR j 249 " --> pdb=" O GLY j 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU j 248 " --> pdb=" O LEU j 78 " (cutoff:3.500A) removed outlier: 6.807A pdb=" N PHE j 252 " --> pdb=" O PRO j 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL j 254 " --> pdb=" O SER j 72 " (cutoff:3.500A) removed outlier: 14.110A pdb=" N SER j 72 " --> pdb=" O VAL j 254 " (cutoff:3.500A) Processing sheet with id=137, first strand: chain 'j' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG j 137 " --> pdb=" O LEU j 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA j 259 " --> pdb=" O SER j 216 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N SER j 216 " --> pdb=" O ALA j 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA j 212 " --> pdb=" O LEU j 263 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N LYS j 202 " --> pdb=" O TYR j 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU j 170 " --> pdb=" O LYS j 202 " (cutoff:3.500A) Processing sheet with id=138, first strand: chain 'j' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG j 243 " --> pdb=" O GLU j 235 " (cutoff:3.500A) Processing sheet with id=139, first strand: chain 'k' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU k 226 " --> pdb=" O GLU k 40 " (cutoff:3.500A) removed outlier: 7.650A pdb=" N ASP k 221 " --> pdb=" O VAL k 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR k 249 " --> pdb=" O GLY k 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU k 248 " --> pdb=" O LEU k 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE k 252 " --> pdb=" O PRO k 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL k 254 " --> pdb=" O SER k 72 " (cutoff:3.500A) removed outlier: 14.108A pdb=" N SER k 72 " --> pdb=" O VAL k 254 " (cutoff:3.500A) Processing sheet with id=140, first strand: chain 'k' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG k 137 " --> pdb=" O LEU k 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA k 259 " --> pdb=" O SER k 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER k 216 " --> pdb=" O ALA k 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA k 212 " --> pdb=" O LEU k 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS k 202 " --> pdb=" O TYR k 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU k 170 " --> pdb=" O LYS k 202 " (cutoff:3.500A) Processing sheet with id=141, first strand: chain 'k' and resid 230 through 235 removed outlier: 6.976A pdb=" N ARG k 243 " --> pdb=" O GLU k 235 " (cutoff:3.500A) Processing sheet with id=142, first strand: chain 'l' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU l 226 " --> pdb=" O GLU l 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP l 221 " --> pdb=" O VAL l 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR l 249 " --> pdb=" O GLY l 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU l 248 " --> pdb=" O LEU l 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE l 252 " --> pdb=" O PRO l 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL l 254 " --> pdb=" O SER l 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER l 72 " --> pdb=" O VAL l 254 " (cutoff:3.500A) Processing sheet with id=143, first strand: chain 'l' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG l 137 " --> pdb=" O LEU l 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA l 259 " --> pdb=" O SER l 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER l 216 " --> pdb=" O ALA l 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA l 212 " --> pdb=" O LEU l 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS l 202 " --> pdb=" O TYR l 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU l 170 " --> pdb=" O LYS l 202 " (cutoff:3.500A) Processing sheet with id=144, first strand: chain 'l' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG l 243 " --> pdb=" O GLU l 235 " (cutoff:3.500A) Processing sheet with id=145, first strand: chain 'm' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU m 226 " --> pdb=" O GLU m 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP m 221 " --> pdb=" O VAL m 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR m 249 " --> pdb=" O GLY m 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU m 248 " --> pdb=" O LEU m 78 " (cutoff:3.500A) removed outlier: 6.807A pdb=" N PHE m 252 " --> pdb=" O PRO m 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL m 254 " --> pdb=" O SER m 72 " (cutoff:3.500A) removed outlier: 14.110A pdb=" N SER m 72 " --> pdb=" O VAL m 254 " (cutoff:3.500A) Processing sheet with id=146, first strand: chain 'm' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG m 137 " --> pdb=" O LEU m 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA m 259 " --> pdb=" O SER m 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER m 216 " --> pdb=" O ALA m 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA m 212 " --> pdb=" O LEU m 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS m 202 " --> pdb=" O TYR m 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU m 170 " --> pdb=" O LYS m 202 " (cutoff:3.500A) Processing sheet with id=147, first strand: chain 'm' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG m 243 " --> pdb=" O GLU m 235 " (cutoff:3.500A) Processing sheet with id=148, first strand: chain 'n' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU n 226 " --> pdb=" O GLU n 40 " (cutoff:3.500A) removed outlier: 7.650A pdb=" N ASP n 221 " --> pdb=" O VAL n 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR n 249 " --> pdb=" O GLY n 227 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N GLU n 248 " --> pdb=" O LEU n 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE n 252 " --> pdb=" O PRO n 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL n 254 " --> pdb=" O SER n 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER n 72 " --> pdb=" O VAL n 254 " (cutoff:3.500A) Processing sheet with id=149, first strand: chain 'n' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG n 137 " --> pdb=" O LEU n 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA n 259 " --> pdb=" O SER n 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER n 216 " --> pdb=" O ALA n 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA n 212 " --> pdb=" O LEU n 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS n 202 " --> pdb=" O TYR n 168 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N LEU n 170 " --> pdb=" O LYS n 202 " (cutoff:3.500A) Processing sheet with id=150, first strand: chain 'n' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG n 243 " --> pdb=" O GLU n 235 " (cutoff:3.500A) Processing sheet with id=151, first strand: chain 'o' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU o 226 " --> pdb=" O GLU o 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP o 221 " --> pdb=" O VAL o 255 " (cutoff:3.500A) removed outlier: 6.930A pdb=" N THR o 249 " --> pdb=" O GLY o 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU o 248 " --> pdb=" O LEU o 78 " (cutoff:3.500A) removed outlier: 6.805A pdb=" N PHE o 252 " --> pdb=" O PRO o 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL o 254 " --> pdb=" O SER o 72 " (cutoff:3.500A) removed outlier: 14.108A pdb=" N SER o 72 " --> pdb=" O VAL o 254 " (cutoff:3.500A) Processing sheet with id=152, first strand: chain 'o' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG o 137 " --> pdb=" O LEU o 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA o 259 " --> pdb=" O SER o 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER o 216 " --> pdb=" O ALA o 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA o 212 " --> pdb=" O LEU o 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS o 202 " --> pdb=" O TYR o 168 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N LEU o 170 " --> pdb=" O LYS o 202 " (cutoff:3.500A) Processing sheet with id=153, first strand: chain 'o' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG o 243 " --> pdb=" O GLU o 235 " (cutoff:3.500A) Processing sheet with id=154, first strand: chain 'p' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU p 226 " --> pdb=" O GLU p 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP p 221 " --> pdb=" O VAL p 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR p 249 " --> pdb=" O GLY p 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU p 248 " --> pdb=" O LEU p 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE p 252 " --> pdb=" O PRO p 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL p 254 " --> pdb=" O SER p 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER p 72 " --> pdb=" O VAL p 254 " (cutoff:3.500A) Processing sheet with id=155, first strand: chain 'p' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG p 137 " --> pdb=" O LEU p 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA p 259 " --> pdb=" O SER p 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER p 216 " --> pdb=" O ALA p 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA p 212 " --> pdb=" O LEU p 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS p 202 " --> pdb=" O TYR p 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU p 170 " --> pdb=" O LYS p 202 " (cutoff:3.500A) Processing sheet with id=156, first strand: chain 'p' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG p 243 " --> pdb=" O GLU p 235 " (cutoff:3.500A) Processing sheet with id=157, first strand: chain 'q' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU q 226 " --> pdb=" O GLU q 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP q 221 " --> pdb=" O VAL q 255 " (cutoff:3.500A) removed outlier: 6.930A pdb=" N THR q 249 " --> pdb=" O GLY q 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU q 248 " --> pdb=" O LEU q 78 " (cutoff:3.500A) removed outlier: 6.807A pdb=" N PHE q 252 " --> pdb=" O PRO q 74 " (cutoff:3.500A) removed outlier: 12.869A pdb=" N VAL q 254 " --> pdb=" O SER q 72 " (cutoff:3.500A) removed outlier: 14.108A pdb=" N SER q 72 " --> pdb=" O VAL q 254 " (cutoff:3.500A) Processing sheet with id=158, first strand: chain 'q' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG q 137 " --> pdb=" O LEU q 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA q 259 " --> pdb=" O SER q 216 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N SER q 216 " --> pdb=" O ALA q 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA q 212 " --> pdb=" O LEU q 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS q 202 " --> pdb=" O TYR q 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU q 170 " --> pdb=" O LYS q 202 " (cutoff:3.500A) Processing sheet with id=159, first strand: chain 'q' and resid 230 through 235 removed outlier: 6.978A pdb=" N ARG q 243 " --> pdb=" O GLU q 235 " (cutoff:3.500A) Processing sheet with id=160, first strand: chain 'r' and resid 37 through 42 removed outlier: 3.912A pdb=" N LEU r 226 " --> pdb=" O GLU r 40 " (cutoff:3.500A) removed outlier: 7.650A pdb=" N ASP r 221 " --> pdb=" O VAL r 255 " (cutoff:3.500A) removed outlier: 6.930A pdb=" N THR r 249 " --> pdb=" O GLY r 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU r 248 " --> pdb=" O LEU r 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE r 252 " --> pdb=" O PRO r 74 " (cutoff:3.500A) removed outlier: 12.869A pdb=" N VAL r 254 " --> pdb=" O SER r 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER r 72 " --> pdb=" O VAL r 254 " (cutoff:3.500A) Processing sheet with id=161, first strand: chain 'r' and resid 137 through 141 removed outlier: 6.214A pdb=" N ARG r 137 " --> pdb=" O LEU r 260 " (cutoff:3.500A) removed outlier: 7.438A pdb=" N ALA r 259 " --> pdb=" O SER r 216 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N SER r 216 " --> pdb=" O ALA r 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA r 212 " --> pdb=" O LEU r 263 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N LYS r 202 " --> pdb=" O TYR r 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU r 170 " --> pdb=" O LYS r 202 " (cutoff:3.500A) Processing sheet with id=162, first strand: chain 'r' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG r 243 " --> pdb=" O GLU r 235 " (cutoff:3.500A) Processing sheet with id=163, first strand: chain 's' and resid 37 through 42 removed outlier: 3.912A pdb=" N LEU s 226 " --> pdb=" O GLU s 40 " (cutoff:3.500A) removed outlier: 7.650A pdb=" N ASP s 221 " --> pdb=" O VAL s 255 " (cutoff:3.500A) removed outlier: 6.928A pdb=" N THR s 249 " --> pdb=" O GLY s 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU s 248 " --> pdb=" O LEU s 78 " (cutoff:3.500A) removed outlier: 6.807A pdb=" N PHE s 252 " --> pdb=" O PRO s 74 " (cutoff:3.500A) removed outlier: 12.869A pdb=" N VAL s 254 " --> pdb=" O SER s 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER s 72 " --> pdb=" O VAL s 254 " (cutoff:3.500A) Processing sheet with id=164, first strand: chain 's' and resid 137 through 141 removed outlier: 6.214A pdb=" N ARG s 137 " --> pdb=" O LEU s 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA s 259 " --> pdb=" O SER s 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER s 216 " --> pdb=" O ALA s 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA s 212 " --> pdb=" O LEU s 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS s 202 " --> pdb=" O TYR s 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU s 170 " --> pdb=" O LYS s 202 " (cutoff:3.500A) Processing sheet with id=165, first strand: chain 's' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG s 243 " --> pdb=" O GLU s 235 " (cutoff:3.500A) Processing sheet with id=166, first strand: chain 't' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU t 226 " --> pdb=" O GLU t 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP t 221 " --> pdb=" O VAL t 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR t 249 " --> pdb=" O GLY t 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU t 248 " --> pdb=" O LEU t 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE t 252 " --> pdb=" O PRO t 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL t 254 " --> pdb=" O SER t 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER t 72 " --> pdb=" O VAL t 254 " (cutoff:3.500A) Processing sheet with id=167, first strand: chain 't' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG t 137 " --> pdb=" O LEU t 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA t 259 " --> pdb=" O SER t 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER t 216 " --> pdb=" O ALA t 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA t 212 " --> pdb=" O LEU t 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS t 202 " --> pdb=" O TYR t 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU t 170 " --> pdb=" O LYS t 202 " (cutoff:3.500A) Processing sheet with id=168, first strand: chain 't' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG t 243 " --> pdb=" O GLU t 235 " (cutoff:3.500A) Processing sheet with id=169, first strand: chain 'u' and resid 37 through 42 removed outlier: 3.914A pdb=" N LEU u 226 " --> pdb=" O GLU u 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP u 221 " --> pdb=" O VAL u 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR u 249 " --> pdb=" O GLY u 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU u 248 " --> pdb=" O LEU u 78 " (cutoff:3.500A) removed outlier: 6.807A pdb=" N PHE u 252 " --> pdb=" O PRO u 74 " (cutoff:3.500A) removed outlier: 12.869A pdb=" N VAL u 254 " --> pdb=" O SER u 72 " (cutoff:3.500A) removed outlier: 14.108A pdb=" N SER u 72 " --> pdb=" O VAL u 254 " (cutoff:3.500A) Processing sheet with id=170, first strand: chain 'u' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG u 137 " --> pdb=" O LEU u 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA u 259 " --> pdb=" O SER u 216 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N SER u 216 " --> pdb=" O ALA u 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA u 212 " --> pdb=" O LEU u 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS u 202 " --> pdb=" O TYR u 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU u 170 " --> pdb=" O LYS u 202 " (cutoff:3.500A) Processing sheet with id=171, first strand: chain 'u' and resid 230 through 235 removed outlier: 6.978A pdb=" N ARG u 243 " --> pdb=" O GLU u 235 " (cutoff:3.500A) Processing sheet with id=172, first strand: chain 'v' and resid 37 through 42 removed outlier: 3.912A pdb=" N LEU v 226 " --> pdb=" O GLU v 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP v 221 " --> pdb=" O VAL v 255 " (cutoff:3.500A) removed outlier: 6.930A pdb=" N THR v 249 " --> pdb=" O GLY v 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU v 248 " --> pdb=" O LEU v 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE v 252 " --> pdb=" O PRO v 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL v 254 " --> pdb=" O SER v 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER v 72 " --> pdb=" O VAL v 254 " (cutoff:3.500A) Processing sheet with id=173, first strand: chain 'v' and resid 137 through 141 removed outlier: 6.215A pdb=" N ARG v 137 " --> pdb=" O LEU v 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA v 259 " --> pdb=" O SER v 216 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N SER v 216 " --> pdb=" O ALA v 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA v 212 " --> pdb=" O LEU v 263 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N LYS v 202 " --> pdb=" O TYR v 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU v 170 " --> pdb=" O LYS v 202 " (cutoff:3.500A) Processing sheet with id=174, first strand: chain 'v' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG v 243 " --> pdb=" O GLU v 235 " (cutoff:3.500A) Processing sheet with id=175, first strand: chain 'w' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU w 226 " --> pdb=" O GLU w 40 " (cutoff:3.500A) removed outlier: 7.650A pdb=" N ASP w 221 " --> pdb=" O VAL w 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR w 249 " --> pdb=" O GLY w 227 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N GLU w 248 " --> pdb=" O LEU w 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE w 252 " --> pdb=" O PRO w 74 " (cutoff:3.500A) removed outlier: 12.870A pdb=" N VAL w 254 " --> pdb=" O SER w 72 " (cutoff:3.500A) removed outlier: 14.109A pdb=" N SER w 72 " --> pdb=" O VAL w 254 " (cutoff:3.500A) Processing sheet with id=176, first strand: chain 'w' and resid 137 through 141 removed outlier: 6.214A pdb=" N ARG w 137 " --> pdb=" O LEU w 260 " (cutoff:3.500A) removed outlier: 7.439A pdb=" N ALA w 259 " --> pdb=" O SER w 216 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER w 216 " --> pdb=" O ALA w 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA w 212 " --> pdb=" O LEU w 263 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS w 202 " --> pdb=" O TYR w 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU w 170 " --> pdb=" O LYS w 202 " (cutoff:3.500A) Processing sheet with id=177, first strand: chain 'w' and resid 230 through 235 removed outlier: 6.978A pdb=" N ARG w 243 " --> pdb=" O GLU w 235 " (cutoff:3.500A) Processing sheet with id=178, first strand: chain 'x' and resid 37 through 42 removed outlier: 3.913A pdb=" N LEU x 226 " --> pdb=" O GLU x 40 " (cutoff:3.500A) removed outlier: 7.649A pdb=" N ASP x 221 " --> pdb=" O VAL x 255 " (cutoff:3.500A) removed outlier: 6.929A pdb=" N THR x 249 " --> pdb=" O GLY x 227 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLU x 248 " --> pdb=" O LEU x 78 " (cutoff:3.500A) removed outlier: 6.806A pdb=" N PHE x 252 " --> pdb=" O PRO x 74 " (cutoff:3.500A) removed outlier: 12.869A pdb=" N VAL x 254 " --> pdb=" O SER x 72 " (cutoff:3.500A) removed outlier: 14.110A pdb=" N SER x 72 " --> pdb=" O VAL x 254 " (cutoff:3.500A) Processing sheet with id=179, first strand: chain 'x' and resid 137 through 141 removed outlier: 6.214A pdb=" N ARG x 137 " --> pdb=" O LEU x 260 " (cutoff:3.500A) removed outlier: 7.438A pdb=" N ALA x 259 " --> pdb=" O SER x 216 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N SER x 216 " --> pdb=" O ALA x 259 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N ALA x 212 " --> pdb=" O LEU x 263 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N LYS x 202 " --> pdb=" O TYR x 168 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU x 170 " --> pdb=" O LYS x 202 " (cutoff:3.500A) Processing sheet with id=180, first strand: chain 'x' and resid 230 through 235 removed outlier: 6.977A pdb=" N ARG x 243 " --> pdb=" O GLU x 235 " (cutoff:3.500A) 4800 hydrogen bonds defined for protein. 14220 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: 59.78 Time building geometry restraints manager: 31.99 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: 32269 1.33 - 1.45: 25094 1.45 - 1.57: 75717 1.57 - 1.69: 0 1.69 - 1.81: 300 Bond restraints: 133380 Sorted by residual: bond pdb=" C2 RBF v 301 " pdb=" N3 RBF v 301 " ideal model delta sigma weight residual 1.397 1.335 0.062 2.00e-02 2.50e+03 9.57e+00 bond pdb=" C2 RBF d 301 " pdb=" N3 RBF d 301 " ideal model delta sigma weight residual 1.397 1.335 0.062 2.00e-02 2.50e+03 9.57e+00 bond pdb=" C2 RBF I 301 " pdb=" N3 RBF I 301 " ideal model delta sigma weight residual 1.397 1.335 0.062 2.00e-02 2.50e+03 9.55e+00 bond pdb=" C2 RBF T 301 " pdb=" N3 RBF T 301 " ideal model delta sigma weight residual 1.397 1.335 0.062 2.00e-02 2.50e+03 9.51e+00 bond pdb=" C2 RBF 0 301 " pdb=" N3 RBF 0 301 " ideal model delta sigma weight residual 1.397 1.335 0.062 2.00e-02 2.50e+03 9.51e+00 ... (remaining 133375 not shown) Histogram of bond angle deviations from ideal: 100.71 - 107.41: 3519 107.41 - 114.11: 73459 114.11 - 120.80: 59865 120.80 - 127.50: 42433 127.50 - 134.19: 904 Bond angle restraints: 180180 Sorted by residual: angle pdb=" N PHE 9 250 " pdb=" CA PHE 9 250 " pdb=" C PHE 9 250 " ideal model delta sigma weight residual 108.38 112.89 -4.51 1.35e+00 5.49e-01 1.11e+01 angle pdb=" N PHE q 250 " pdb=" CA PHE q 250 " pdb=" C PHE q 250 " ideal model delta sigma weight residual 108.38 112.88 -4.50 1.35e+00 5.49e-01 1.11e+01 angle pdb=" N PHE d 250 " pdb=" CA PHE d 250 " pdb=" C PHE d 250 " ideal model delta sigma weight residual 108.38 112.88 -4.50 1.35e+00 5.49e-01 1.11e+01 angle pdb=" N PHE v 250 " pdb=" CA PHE v 250 " pdb=" C PHE v 250 " ideal model delta sigma weight residual 108.38 112.88 -4.50 1.35e+00 5.49e-01 1.11e+01 angle pdb=" N PHE W 250 " pdb=" CA PHE W 250 " pdb=" C PHE W 250 " ideal model delta sigma weight residual 108.38 112.86 -4.48 1.35e+00 5.49e-01 1.10e+01 ... (remaining 180175 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 17.44: 72422 17.44 - 34.88: 6478 34.88 - 52.32: 1380 52.32 - 69.76: 360 69.76 - 87.19: 60 Dihedral angle restraints: 80700 sinusoidal: 34980 harmonic: 45720 Sorted by residual: dihedral pdb=" CA GLU n 238 " pdb=" C GLU n 238 " pdb=" N LYS n 239 " pdb=" CA LYS n 239 " ideal model delta harmonic sigma weight residual 180.00 157.89 22.11 0 5.00e+00 4.00e-02 1.96e+01 dihedral pdb=" CA GLU 4 238 " pdb=" C GLU 4 238 " pdb=" N LYS 4 239 " pdb=" CA LYS 4 239 " ideal model delta harmonic sigma weight residual 180.00 157.89 22.11 0 5.00e+00 4.00e-02 1.96e+01 dihedral pdb=" CA GLU e 238 " pdb=" C GLU e 238 " pdb=" N LYS e 239 " pdb=" CA LYS e 239 " ideal model delta harmonic sigma weight residual 180.00 157.90 22.10 0 5.00e+00 4.00e-02 1.95e+01 ... (remaining 80697 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.060: 14816 0.060 - 0.119: 4211 0.119 - 0.179: 593 0.179 - 0.238: 120 0.238 - 0.298: 60 Chirality restraints: 19800 Sorted by residual: chirality pdb=" C4' RBF q 301 " pdb=" C3' RBF q 301 " pdb=" C5' RBF q 301 " pdb=" O4' RBF q 301 " both_signs ideal model delta sigma weight residual False -2.27 -2.57 0.30 2.00e-01 2.50e+01 2.22e+00 chirality pdb=" C4' RBF K 301 " pdb=" C3' RBF K 301 " pdb=" C5' RBF K 301 " pdb=" O4' RBF K 301 " both_signs ideal model delta sigma weight residual False -2.27 -2.57 0.30 2.00e-01 2.50e+01 2.21e+00 chirality pdb=" C4' RBF P 301 " pdb=" C3' RBF P 301 " pdb=" C5' RBF P 301 " pdb=" O4' RBF P 301 " both_signs ideal model delta sigma weight residual False -2.27 -2.57 0.30 2.00e-01 2.50e+01 2.21e+00 ... (remaining 19797 not shown) Planarity restraints: 22980 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C THR i 206 " -0.035 5.00e-02 4.00e+02 5.32e-02 4.53e+00 pdb=" N PRO i 207 " 0.092 5.00e-02 4.00e+02 pdb=" CA PRO i 207 " -0.028 5.00e-02 4.00e+02 pdb=" CD PRO i 207 " -0.029 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C THR T 206 " 0.035 5.00e-02 4.00e+02 5.32e-02 4.53e+00 pdb=" N PRO T 207 " -0.092 5.00e-02 4.00e+02 pdb=" CA PRO T 207 " 0.028 5.00e-02 4.00e+02 pdb=" CD PRO T 207 " 0.029 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C THR B 206 " -0.035 5.00e-02 4.00e+02 5.31e-02 4.52e+00 pdb=" N PRO B 207 " 0.092 5.00e-02 4.00e+02 pdb=" CA PRO B 207 " -0.028 5.00e-02 4.00e+02 pdb=" CD PRO B 207 " -0.029 5.00e-02 4.00e+02 ... (remaining 22977 not shown) Histogram of nonbonded interaction distances: 2.24 - 2.77: 21777 2.77 - 3.30: 101036 3.30 - 3.84: 175290 3.84 - 4.37: 209303 4.37 - 4.90: 399378 Nonbonded interactions: 906784 Sorted by model distance: nonbonded pdb=" O4' RBF U 301 " pdb=" OE2 GLU r 235 " model vdw 2.239 2.440 nonbonded pdb=" OE2 GLU C 235 " pdb=" O4' RBF g 301 " model vdw 2.239 2.440 nonbonded pdb=" O4' RBF P 301 " pdb=" OE2 GLU c 235 " model vdw 2.239 2.440 nonbonded pdb=" O4' RBF I 301 " pdb=" OE2 GLU u 235 " model vdw 2.239 2.440 nonbonded pdb=" OE2 GLU H 235 " pdb=" O4' RBF v 301 " model vdw 2.239 2.440 ... (remaining 906779 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: 2.720 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.010 Construct map_model_manager: 0.130 Extract box with map and model: 16.490 Check model and map are aligned: 1.440 Set scattering table: 0.870 Process input model: 265.730 Find NCS groups from input model: 6.690 Set up NCS constraints: 1.660 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.020 Load rotamer database and sin/cos tables:11.710 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 307.470 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8392 moved from start: 0.0000 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.007 0.062 133380 Z= 0.443 Angle : 0.932 7.847 180180 Z= 0.512 Chirality : 0.056 0.298 19800 Planarity : 0.006 0.053 22980 Dihedral : 14.288 87.195 51180 Min Nonbonded Distance : 2.239 Molprobity Statistics. All-atom Clashscore : 2.52 Ramachandran Plot: Outliers : 0.00 % Allowed : 6.84 % Favored : 93.16 % Rotamer: Outliers : 3.02 % Allowed : 8.52 % Favored : 88.46 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.80 (0.06), residues: 15780 helix: 0.26 (0.07), residues: 4500 sheet: -1.01 (0.10), residues: 2280 loop : -2.10 (0.05), residues: 9000 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.007 0.002 TRP 9 45 HIS 0.004 0.002 HIS x 50 PHE 0.015 0.002 PHE r 252 TYR 0.011 0.001 TYR P 47 ARG 0.005 0.001 ARG D 79 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1121 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 424 poor density : 697 time to evaluate : 11.531 Fit side-chains REVERT: A 54 GLU cc_start: 0.8061 (mt-10) cc_final: 0.7792 (mt-10) REVERT: A 199 ARG cc_start: 0.8301 (OUTLIER) cc_final: 0.7020 (mtp85) REVERT: B 199 ARG cc_start: 0.8244 (OUTLIER) cc_final: 0.7302 (mmp80) REVERT: C 199 ARG cc_start: 0.8317 (OUTLIER) cc_final: 0.6953 (mtp85) REVERT: D 199 ARG cc_start: 0.8187 (OUTLIER) cc_final: 0.7738 (mmp-170) REVERT: G 54 GLU cc_start: 0.8059 (mt-10) cc_final: 0.7791 (mt-10) REVERT: G 199 ARG cc_start: 0.8302 (OUTLIER) cc_final: 0.7023 (mtp85) REVERT: H 199 ARG cc_start: 0.8244 (OUTLIER) cc_final: 0.7303 (mmp80) REVERT: I 199 ARG cc_start: 0.8317 (OUTLIER) cc_final: 0.6950 (mtp85) REVERT: J 199 ARG cc_start: 0.8187 (OUTLIER) cc_final: 0.7738 (mmp-170) REVERT: K 199 ARG cc_start: 0.8186 (OUTLIER) cc_final: 0.7739 (mmp-170) REVERT: M 54 GLU cc_start: 0.8059 (mt-10) cc_final: 0.7792 (mt-10) REVERT: M 199 ARG cc_start: 0.8303 (OUTLIER) cc_final: 0.7022 (mtp85) REVERT: N 199 ARG cc_start: 0.8243 (OUTLIER) cc_final: 0.7302 (mmp80) REVERT: O 199 ARG cc_start: 0.8316 (OUTLIER) cc_final: 0.6951 (mtp85) REVERT: P 199 ARG cc_start: 0.8318 (OUTLIER) cc_final: 0.6952 (mtp85) REVERT: Q 199 ARG cc_start: 0.8186 (OUTLIER) cc_final: 0.7736 (mmp-170) REVERT: S 54 GLU cc_start: 0.8059 (mt-10) cc_final: 0.7793 (mt-10) REVERT: S 199 ARG cc_start: 0.8304 (OUTLIER) cc_final: 0.7022 (mtp85) REVERT: T 199 ARG cc_start: 0.8245 (OUTLIER) cc_final: 0.7305 (mmp80) REVERT: V 54 GLU cc_start: 0.8059 (mt-10) cc_final: 0.7793 (mt-10) REVERT: V 199 ARG cc_start: 0.8303 (OUTLIER) cc_final: 0.7023 (mtp85) REVERT: W 199 ARG cc_start: 0.8245 (OUTLIER) cc_final: 0.7304 (mmp80) REVERT: X 199 ARG cc_start: 0.8315 (OUTLIER) cc_final: 0.6951 (mtp85) REVERT: Y 199 ARG cc_start: 0.8190 (OUTLIER) cc_final: 0.7740 (mmp-170) REVERT: Z 54 GLU cc_start: 0.8061 (mt-10) cc_final: 0.7794 (mt-10) REVERT: Z 199 ARG cc_start: 0.8301 (OUTLIER) cc_final: 0.7019 (mtp85) REVERT: 0 199 ARG cc_start: 0.8244 (OUTLIER) cc_final: 0.7306 (mmp80) REVERT: 1 199 ARG cc_start: 0.8317 (OUTLIER) cc_final: 0.6952 (mtp85) REVERT: 2 199 ARG cc_start: 0.8188 (OUTLIER) cc_final: 0.7739 (mmp-170) REVERT: 4 199 ARG cc_start: 0.8316 (OUTLIER) cc_final: 0.6950 (mtp85) REVERT: 5 199 ARG cc_start: 0.8187 (OUTLIER) cc_final: 0.7738 (mmp-170) REVERT: 7 54 GLU cc_start: 0.8059 (mt-10) cc_final: 0.7791 (mt-10) REVERT: 7 199 ARG cc_start: 0.8303 (OUTLIER) cc_final: 0.7022 (mtp85) REVERT: 8 199 ARG cc_start: 0.8243 (OUTLIER) cc_final: 0.7302 (mmp80) REVERT: 9 199 ARG cc_start: 0.8190 (OUTLIER) cc_final: 0.7740 (mmp-170) REVERT: b 54 GLU cc_start: 0.8059 (mt-10) cc_final: 0.7792 (mt-10) REVERT: b 199 ARG cc_start: 0.8302 (OUTLIER) cc_final: 0.7021 (mtp85) REVERT: c 199 ARG cc_start: 0.8243 (OUTLIER) cc_final: 0.7301 (mmp80) REVERT: d 199 ARG cc_start: 0.8317 (OUTLIER) cc_final: 0.6952 (mtp85) REVERT: e 199 ARG cc_start: 0.8317 (OUTLIER) cc_final: 0.6952 (mtp85) REVERT: f 199 ARG cc_start: 0.8186 (OUTLIER) cc_final: 0.7738 (mmp-170) REVERT: h 54 GLU cc_start: 0.8059 (mt-10) cc_final: 0.7793 (mt-10) REVERT: h 199 ARG cc_start: 0.8302 (OUTLIER) cc_final: 0.7020 (mtp85) REVERT: i 199 ARG cc_start: 0.8244 (OUTLIER) cc_final: 0.7301 (mmp80) REVERT: j 199 ARG cc_start: 0.8188 (OUTLIER) cc_final: 0.7740 (mmp-170) REVERT: l 54 GLU cc_start: 0.8059 (mt-10) cc_final: 0.7794 (mt-10) REVERT: l 199 ARG cc_start: 0.8304 (OUTLIER) cc_final: 0.7024 (mtp85) REVERT: m 199 ARG cc_start: 0.8246 (OUTLIER) cc_final: 0.7306 (mmp80) REVERT: n 199 ARG cc_start: 0.8316 (OUTLIER) cc_final: 0.6950 (mtp85) REVERT: p 54 GLU cc_start: 0.8060 (mt-10) cc_final: 0.7794 (mt-10) REVERT: p 199 ARG cc_start: 0.8301 (OUTLIER) cc_final: 0.7021 (mtp85) REVERT: q 199 ARG cc_start: 0.8244 (OUTLIER) cc_final: 0.7303 (mmp80) REVERT: r 199 ARG cc_start: 0.8316 (OUTLIER) cc_final: 0.6951 (mtp85) REVERT: s 199 ARG cc_start: 0.8188 (OUTLIER) cc_final: 0.7740 (mmp-170) REVERT: t 54 GLU cc_start: 0.8060 (mt-10) cc_final: 0.7795 (mt-10) REVERT: t 199 ARG cc_start: 0.8304 (OUTLIER) cc_final: 0.7021 (mtp85) REVERT: u 199 ARG cc_start: 0.8245 (OUTLIER) cc_final: 0.7302 (mmp80) REVERT: v 199 ARG cc_start: 0.8318 (OUTLIER) cc_final: 0.6951 (mtp85) REVERT: w 199 ARG cc_start: 0.8190 (OUTLIER) cc_final: 0.7742 (mmp-170) outliers start: 424 outliers final: 191 residues processed: 1109 average time/residue: 2.0941 time to fit residues: 3177.3327 Evaluate side-chains 757 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 239 poor density : 518 time to evaluate : 10.230 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 75 LEU Chi-restraints excluded: chain A residue 98 ASN Chi-restraints excluded: chain A residue 199 ARG Chi-restraints excluded: chain A residue 240 ASP Chi-restraints excluded: chain B residue 98 ASN Chi-restraints excluded: chain B residue 139 ILE Chi-restraints excluded: chain B residue 160 SER Chi-restraints excluded: chain B residue 199 ARG Chi-restraints excluded: chain B residue 240 ASP Chi-restraints excluded: chain C residue 144 THR Chi-restraints excluded: chain C residue 160 SER Chi-restraints excluded: chain C residue 199 ARG Chi-restraints excluded: chain C residue 240 ASP Chi-restraints excluded: chain D residue 199 ARG Chi-restraints excluded: chain D residue 240 ASP Chi-restraints excluded: chain E residue 75 LEU Chi-restraints excluded: chain E residue 98 ASN Chi-restraints excluded: chain E residue 156 LEU Chi-restraints excluded: chain E residue 160 SER Chi-restraints excluded: chain E residue 240 ASP Chi-restraints excluded: chain F residue 75 LEU Chi-restraints excluded: chain F residue 98 ASN Chi-restraints excluded: chain F residue 156 LEU Chi-restraints excluded: chain F residue 160 SER Chi-restraints excluded: chain F residue 240 ASP Chi-restraints excluded: chain G residue 75 LEU Chi-restraints excluded: chain G residue 98 ASN Chi-restraints excluded: chain G residue 199 ARG Chi-restraints excluded: chain G residue 240 ASP Chi-restraints excluded: chain H residue 98 ASN Chi-restraints excluded: chain H residue 160 SER Chi-restraints excluded: chain H residue 199 ARG Chi-restraints excluded: chain H residue 240 ASP Chi-restraints excluded: chain I residue 144 THR Chi-restraints excluded: chain I residue 160 SER Chi-restraints excluded: chain I residue 199 ARG Chi-restraints excluded: chain I residue 240 ASP Chi-restraints excluded: chain J residue 199 ARG Chi-restraints excluded: chain J residue 240 ASP Chi-restraints excluded: chain K residue 98 ASN Chi-restraints excluded: chain K residue 199 ARG Chi-restraints excluded: chain K residue 240 ASP Chi-restraints excluded: chain L residue 75 LEU Chi-restraints excluded: chain L residue 98 ASN Chi-restraints excluded: chain L residue 156 LEU Chi-restraints excluded: chain L residue 160 SER Chi-restraints excluded: chain L residue 240 ASP Chi-restraints excluded: chain M residue 75 LEU Chi-restraints excluded: chain M residue 98 ASN Chi-restraints excluded: chain M residue 199 ARG Chi-restraints excluded: chain M residue 240 ASP Chi-restraints excluded: chain N residue 98 ASN Chi-restraints excluded: chain N residue 160 SER Chi-restraints excluded: chain N residue 199 ARG Chi-restraints excluded: chain N residue 240 ASP Chi-restraints excluded: chain O residue 144 THR Chi-restraints excluded: chain O residue 160 SER Chi-restraints excluded: chain O residue 199 ARG Chi-restraints excluded: chain O residue 240 ASP Chi-restraints excluded: chain P residue 144 THR Chi-restraints excluded: chain P residue 160 SER Chi-restraints excluded: chain P residue 199 ARG Chi-restraints excluded: chain P residue 240 ASP Chi-restraints excluded: chain Q residue 98 ASN Chi-restraints excluded: chain Q residue 199 ARG Chi-restraints excluded: chain Q residue 240 ASP Chi-restraints excluded: chain R residue 75 LEU Chi-restraints excluded: chain R residue 98 ASN Chi-restraints excluded: chain R residue 156 LEU Chi-restraints excluded: chain R residue 160 SER Chi-restraints excluded: chain R residue 240 ASP Chi-restraints excluded: chain S residue 75 LEU Chi-restraints excluded: chain S residue 98 ASN Chi-restraints excluded: chain S residue 199 ARG Chi-restraints excluded: chain S residue 240 ASP Chi-restraints excluded: chain T residue 98 ASN Chi-restraints excluded: chain T residue 160 SER Chi-restraints excluded: chain T residue 199 ARG Chi-restraints excluded: chain T residue 240 ASP Chi-restraints excluded: chain U residue 75 LEU Chi-restraints excluded: chain U residue 98 ASN Chi-restraints excluded: chain U residue 156 LEU Chi-restraints excluded: chain U residue 160 SER Chi-restraints excluded: chain U residue 240 ASP Chi-restraints excluded: chain V residue 75 LEU Chi-restraints excluded: chain V residue 98 ASN Chi-restraints excluded: chain V residue 199 ARG Chi-restraints excluded: chain V residue 240 ASP Chi-restraints excluded: chain W residue 98 ASN Chi-restraints excluded: chain W residue 160 SER Chi-restraints excluded: chain W residue 199 ARG Chi-restraints excluded: chain W residue 240 ASP Chi-restraints excluded: chain X residue 144 THR Chi-restraints excluded: chain X residue 160 SER Chi-restraints excluded: chain X residue 199 ARG Chi-restraints excluded: chain X residue 240 ASP Chi-restraints excluded: chain Y residue 98 ASN Chi-restraints excluded: chain Y residue 199 ARG Chi-restraints excluded: chain Y residue 240 ASP Chi-restraints excluded: chain Z residue 75 LEU Chi-restraints excluded: chain Z residue 98 ASN Chi-restraints excluded: chain Z residue 199 ARG Chi-restraints excluded: chain Z residue 240 ASP Chi-restraints excluded: chain 0 residue 98 ASN Chi-restraints excluded: chain 0 residue 160 SER Chi-restraints excluded: chain 0 residue 199 ARG Chi-restraints excluded: chain 0 residue 240 ASP Chi-restraints excluded: chain 1 residue 144 THR Chi-restraints excluded: chain 1 residue 160 SER Chi-restraints excluded: chain 1 residue 199 ARG Chi-restraints excluded: chain 1 residue 240 ASP Chi-restraints excluded: chain 2 residue 98 ASN Chi-restraints excluded: chain 2 residue 199 ARG Chi-restraints excluded: chain 2 residue 240 ASP Chi-restraints excluded: chain 3 residue 75 LEU Chi-restraints excluded: chain 3 residue 98 ASN Chi-restraints excluded: chain 3 residue 156 LEU Chi-restraints excluded: chain 3 residue 160 SER Chi-restraints excluded: chain 3 residue 240 ASP Chi-restraints excluded: chain 4 residue 144 THR Chi-restraints excluded: chain 4 residue 160 SER Chi-restraints excluded: chain 4 residue 199 ARG Chi-restraints excluded: chain 4 residue 240 ASP Chi-restraints excluded: chain 5 residue 98 ASN Chi-restraints excluded: chain 5 residue 199 ARG Chi-restraints excluded: chain 5 residue 240 ASP Chi-restraints excluded: chain 6 residue 75 LEU Chi-restraints excluded: chain 6 residue 98 ASN Chi-restraints excluded: chain 6 residue 156 LEU Chi-restraints excluded: chain 6 residue 160 SER Chi-restraints excluded: chain 6 residue 240 ASP Chi-restraints excluded: chain 7 residue 75 LEU Chi-restraints excluded: chain 7 residue 98 ASN Chi-restraints excluded: chain 7 residue 199 ARG Chi-restraints excluded: chain 7 residue 240 ASP Chi-restraints excluded: chain 8 residue 98 ASN Chi-restraints excluded: chain 8 residue 160 SER Chi-restraints excluded: chain 8 residue 199 ARG Chi-restraints excluded: chain 8 residue 240 ASP Chi-restraints excluded: chain 9 residue 98 ASN Chi-restraints excluded: chain 9 residue 139 ILE Chi-restraints excluded: chain 9 residue 199 ARG Chi-restraints excluded: chain 9 residue 240 ASP Chi-restraints excluded: chain a residue 75 LEU Chi-restraints excluded: chain a residue 98 ASN Chi-restraints excluded: chain a residue 156 LEU Chi-restraints excluded: chain a residue 160 SER Chi-restraints excluded: chain a residue 240 ASP Chi-restraints excluded: chain b residue 75 LEU Chi-restraints excluded: chain b residue 98 ASN Chi-restraints excluded: chain b residue 199 ARG Chi-restraints excluded: chain b residue 240 ASP Chi-restraints excluded: chain c residue 98 ASN Chi-restraints excluded: chain c residue 160 SER Chi-restraints excluded: chain c residue 199 ARG Chi-restraints excluded: chain c residue 240 ASP Chi-restraints excluded: chain d residue 144 THR Chi-restraints excluded: chain d residue 160 SER Chi-restraints excluded: chain d residue 199 ARG Chi-restraints excluded: chain d residue 240 ASP Chi-restraints excluded: chain e residue 144 THR Chi-restraints excluded: chain e residue 160 SER Chi-restraints excluded: chain e residue 199 ARG Chi-restraints excluded: chain e residue 240 ASP Chi-restraints excluded: chain f residue 98 ASN Chi-restraints excluded: chain f residue 199 ARG Chi-restraints excluded: chain f residue 240 ASP Chi-restraints excluded: chain g residue 75 LEU Chi-restraints excluded: chain g residue 98 ASN Chi-restraints excluded: chain g residue 156 LEU Chi-restraints excluded: chain g residue 160 SER Chi-restraints excluded: chain g residue 240 ASP Chi-restraints excluded: chain h residue 75 LEU Chi-restraints excluded: chain h residue 98 ASN Chi-restraints excluded: chain h residue 199 ARG Chi-restraints excluded: chain h residue 240 ASP Chi-restraints excluded: chain i residue 98 ASN Chi-restraints excluded: chain i residue 160 SER Chi-restraints excluded: chain i residue 199 ARG Chi-restraints excluded: chain i residue 240 ASP Chi-restraints excluded: chain j residue 199 ARG Chi-restraints excluded: chain j residue 240 ASP Chi-restraints excluded: chain k residue 75 LEU Chi-restraints excluded: chain k residue 98 ASN Chi-restraints excluded: chain k residue 156 LEU Chi-restraints excluded: chain k residue 160 SER Chi-restraints excluded: chain k residue 240 ASP Chi-restraints excluded: chain l residue 75 LEU Chi-restraints excluded: chain l residue 98 ASN Chi-restraints excluded: chain l residue 199 ARG Chi-restraints excluded: chain l residue 240 ASP Chi-restraints excluded: chain m residue 98 ASN Chi-restraints excluded: chain m residue 160 SER Chi-restraints excluded: chain m residue 199 ARG Chi-restraints excluded: chain m residue 240 ASP Chi-restraints excluded: chain n residue 144 THR Chi-restraints excluded: chain n residue 160 SER Chi-restraints excluded: chain n residue 199 ARG Chi-restraints excluded: chain n residue 240 ASP Chi-restraints excluded: chain o residue 75 LEU Chi-restraints excluded: chain o residue 98 ASN Chi-restraints excluded: chain o residue 156 LEU Chi-restraints excluded: chain o residue 160 SER Chi-restraints excluded: chain o residue 240 ASP Chi-restraints excluded: chain p residue 75 LEU Chi-restraints excluded: chain p residue 98 ASN Chi-restraints excluded: chain p residue 199 ARG Chi-restraints excluded: chain p residue 240 ASP Chi-restraints excluded: chain q residue 98 ASN Chi-restraints excluded: chain q residue 160 SER Chi-restraints excluded: chain q residue 199 ARG Chi-restraints excluded: chain q residue 240 ASP Chi-restraints excluded: chain r residue 144 THR Chi-restraints excluded: chain r residue 160 SER Chi-restraints excluded: chain r residue 199 ARG Chi-restraints excluded: chain r residue 240 ASP Chi-restraints excluded: chain s residue 98 ASN Chi-restraints excluded: chain s residue 199 ARG Chi-restraints excluded: chain s residue 240 ASP Chi-restraints excluded: chain t residue 75 LEU Chi-restraints excluded: chain t residue 98 ASN Chi-restraints excluded: chain t residue 199 ARG Chi-restraints excluded: chain t residue 240 ASP Chi-restraints excluded: chain u residue 98 ASN Chi-restraints excluded: chain u residue 160 SER Chi-restraints excluded: chain u residue 199 ARG Chi-restraints excluded: chain u residue 240 ASP Chi-restraints excluded: chain v residue 144 THR Chi-restraints excluded: chain v residue 160 SER Chi-restraints excluded: chain v residue 199 ARG Chi-restraints excluded: chain v residue 240 ASP Chi-restraints excluded: chain w residue 98 ASN Chi-restraints excluded: chain w residue 199 ARG Chi-restraints excluded: chain w residue 240 ASP Chi-restraints excluded: chain x residue 75 LEU Chi-restraints excluded: chain x residue 98 ASN Chi-restraints excluded: chain x residue 156 LEU Chi-restraints excluded: chain x residue 160 SER Chi-restraints excluded: chain x residue 240 ASP Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 1317 optimal weight: 5.9990 chunk 1182 optimal weight: 3.9990 chunk 656 optimal weight: 5.9990 chunk 403 optimal weight: 7.9990 chunk 797 optimal weight: 5.9990 chunk 631 optimal weight: 1.9990 chunk 1222 optimal weight: 1.9990 chunk 473 optimal weight: 6.9990 chunk 743 optimal weight: 8.9990 chunk 910 optimal weight: 10.0000 chunk 1416 optimal weight: 0.8980 overall best weight: 2.9788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 17 GLN B 256 ASN C 17 GLN ** C 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 17 GLN G 17 GLN H 256 ASN I 17 GLN ** I 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 17 GLN K 17 GLN M 17 GLN N 256 ASN O 17 GLN ** O 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 17 GLN P 228 GLN Q 17 GLN S 17 GLN T 256 ASN V 17 GLN W 256 ASN X 17 GLN ** X 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 17 GLN Z 17 GLN 0 256 ASN 1 17 GLN 1 228 GLN 1 256 ASN 2 17 GLN 4 17 GLN 4 228 GLN 4 256 ASN 5 17 GLN 7 17 GLN 8 256 ASN 9 17 GLN b 17 GLN c 256 ASN d 17 GLN d 228 GLN e 17 GLN ** e 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 17 GLN h 17 GLN i 256 ASN j 17 GLN l 17 GLN m 256 ASN n 17 GLN ** n 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 17 GLN q 256 ASN r 17 GLN ** r 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 17 GLN t 17 GLN u 256 ASN v 17 GLN ** v 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 17 GLN Total number of N/Q/H flips: 54 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8315 moved from start: 0.0860 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.028 133380 Z= 0.236 Angle : 0.650 5.797 180180 Z= 0.355 Chirality : 0.046 0.164 19800 Planarity : 0.006 0.058 22980 Dihedral : 6.990 55.279 18826 Min Nonbonded Distance : 2.307 Molprobity Statistics. All-atom Clashscore : 2.39 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.75 % Favored : 94.25 % Rotamer: Outliers : 2.31 % Allowed : 11.65 % Favored : 86.03 % 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: -1.52 (0.06), residues: 15780 helix: 0.77 (0.07), residues: 4620 sheet: -0.91 (0.10), residues: 2520 loop : -2.13 (0.06), residues: 8640 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.001 TRP 5 45 HIS 0.003 0.002 HIS U 50 PHE 0.015 0.001 PHE J 114 TYR 0.007 0.001 TYR A 234 ARG 0.003 0.000 ARG Y 187 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 942 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 325 poor density : 617 time to evaluate : 12.016 Fit side-chains REVERT: A 54 GLU cc_start: 0.7864 (mt-10) cc_final: 0.7644 (mt-10) REVERT: A 187 ARG cc_start: 0.8165 (mtt-85) cc_final: 0.7946 (mtt-85) REVERT: E 199 ARG cc_start: 0.7977 (OUTLIER) cc_final: 0.6625 (mtp85) REVERT: F 199 ARG cc_start: 0.7978 (OUTLIER) cc_final: 0.6623 (mtp85) REVERT: G 54 GLU cc_start: 0.7863 (mt-10) cc_final: 0.7641 (mt-10) REVERT: G 187 ARG cc_start: 0.8160 (mtt-85) cc_final: 0.7937 (mtt-85) REVERT: L 199 ARG cc_start: 0.7982 (OUTLIER) cc_final: 0.6626 (mtp85) REVERT: M 54 GLU cc_start: 0.7860 (mt-10) cc_final: 0.7638 (mt-10) REVERT: M 187 ARG cc_start: 0.8160 (mtt-85) cc_final: 0.7937 (mtt-85) REVERT: R 199 ARG cc_start: 0.7976 (OUTLIER) cc_final: 0.6623 (mtp85) REVERT: S 54 GLU cc_start: 0.7862 (mt-10) cc_final: 0.7640 (mt-10) REVERT: S 187 ARG cc_start: 0.8161 (mtt-85) cc_final: 0.7941 (mtt-85) REVERT: U 199 ARG cc_start: 0.7982 (OUTLIER) cc_final: 0.6625 (mtp85) REVERT: V 54 GLU cc_start: 0.7862 (mt-10) cc_final: 0.7642 (mt-10) REVERT: V 187 ARG cc_start: 0.8160 (mtt-85) cc_final: 0.7941 (mtt-85) REVERT: Z 54 GLU cc_start: 0.7864 (mt-10) cc_final: 0.7642 (mt-10) REVERT: Z 187 ARG cc_start: 0.8160 (mtt-85) cc_final: 0.7938 (mtt-85) REVERT: 3 199 ARG cc_start: 0.7978 (OUTLIER) cc_final: 0.6624 (mtp85) REVERT: 6 199 ARG cc_start: 0.7978 (OUTLIER) cc_final: 0.6625 (mtp85) REVERT: 7 54 GLU cc_start: 0.7863 (mt-10) cc_final: 0.7642 (mt-10) REVERT: 7 187 ARG cc_start: 0.8163 (mtt-85) cc_final: 0.7941 (mtt-85) REVERT: a 199 ARG cc_start: 0.7979 (OUTLIER) cc_final: 0.6623 (mtp85) REVERT: b 54 GLU cc_start: 0.7862 (mt-10) cc_final: 0.7636 (mt-10) REVERT: b 187 ARG cc_start: 0.8162 (mtt-85) cc_final: 0.7940 (mtt-85) REVERT: g 199 ARG cc_start: 0.7977 (OUTLIER) cc_final: 0.6624 (mtp85) REVERT: h 54 GLU cc_start: 0.7863 (mt-10) cc_final: 0.7638 (mt-10) REVERT: h 187 ARG cc_start: 0.8162 (mtt-85) cc_final: 0.7941 (mtt-85) REVERT: k 199 ARG cc_start: 0.7982 (OUTLIER) cc_final: 0.6626 (mtp85) REVERT: l 54 GLU cc_start: 0.7864 (mt-10) cc_final: 0.7643 (mt-10) REVERT: l 187 ARG cc_start: 0.8166 (mtt-85) cc_final: 0.7944 (mtt-85) REVERT: o 199 ARG cc_start: 0.7982 (OUTLIER) cc_final: 0.6625 (mtp85) REVERT: p 54 GLU cc_start: 0.7863 (mt-10) cc_final: 0.7638 (mt-10) REVERT: p 187 ARG cc_start: 0.8164 (mtt-85) cc_final: 0.7943 (mtt-85) REVERT: t 54 GLU cc_start: 0.7865 (mt-10) cc_final: 0.7645 (mt-10) REVERT: t 187 ARG cc_start: 0.8162 (mtt-85) cc_final: 0.7944 (mtt-85) REVERT: x 199 ARG cc_start: 0.7982 (OUTLIER) cc_final: 0.6625 (mtp85) outliers start: 325 outliers final: 230 residues processed: 883 average time/residue: 1.7987 time to fit residues: 2268.9533 Evaluate side-chains 801 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 242 poor density : 559 time to evaluate : 11.229 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 98 ASN Chi-restraints excluded: chain A residue 139 ILE Chi-restraints excluded: chain A residue 156 LEU Chi-restraints excluded: chain A residue 160 SER Chi-restraints excluded: chain A residue 240 ASP Chi-restraints excluded: chain B residue 98 ASN Chi-restraints excluded: chain B residue 240 ASP Chi-restraints excluded: chain C residue 98 ASN Chi-restraints excluded: chain C residue 139 ILE Chi-restraints excluded: chain C residue 156 LEU Chi-restraints excluded: chain C residue 240 ASP Chi-restraints excluded: chain D residue 98 ASN Chi-restraints excluded: chain D residue 139 ILE Chi-restraints excluded: chain D residue 240 ASP Chi-restraints excluded: chain E residue 98 ASN Chi-restraints excluded: chain E residue 139 ILE Chi-restraints excluded: chain E residue 156 LEU Chi-restraints excluded: chain E residue 160 SER Chi-restraints excluded: chain E residue 199 ARG Chi-restraints excluded: chain E residue 240 ASP Chi-restraints excluded: chain F residue 98 ASN Chi-restraints excluded: chain F residue 139 ILE Chi-restraints excluded: chain F residue 156 LEU Chi-restraints excluded: chain F residue 160 SER Chi-restraints excluded: chain F residue 199 ARG Chi-restraints excluded: chain F residue 240 ASP Chi-restraints excluded: chain G residue 98 ASN Chi-restraints excluded: chain G residue 139 ILE Chi-restraints excluded: chain G residue 156 LEU Chi-restraints excluded: chain G residue 160 SER Chi-restraints excluded: chain G residue 240 ASP Chi-restraints excluded: chain H residue 98 ASN Chi-restraints excluded: chain H residue 139 ILE Chi-restraints excluded: chain H residue 240 ASP Chi-restraints excluded: chain I residue 98 ASN Chi-restraints excluded: chain I residue 139 ILE Chi-restraints excluded: chain I residue 156 LEU Chi-restraints excluded: chain I residue 240 ASP Chi-restraints excluded: chain J residue 98 ASN Chi-restraints excluded: chain J residue 139 ILE Chi-restraints excluded: chain J residue 240 ASP Chi-restraints excluded: chain K residue 139 ILE Chi-restraints excluded: chain K residue 240 ASP Chi-restraints excluded: chain L residue 98 ASN Chi-restraints excluded: chain L residue 139 ILE Chi-restraints excluded: chain L residue 156 LEU Chi-restraints excluded: chain L residue 160 SER Chi-restraints excluded: chain L residue 199 ARG Chi-restraints excluded: chain L residue 240 ASP Chi-restraints excluded: chain M residue 98 ASN Chi-restraints excluded: chain M residue 139 ILE Chi-restraints excluded: chain M residue 156 LEU Chi-restraints excluded: chain M residue 160 SER Chi-restraints excluded: chain M residue 240 ASP Chi-restraints excluded: chain N residue 98 ASN Chi-restraints excluded: chain N residue 139 ILE Chi-restraints excluded: chain N residue 240 ASP Chi-restraints excluded: chain O residue 98 ASN Chi-restraints excluded: chain O residue 139 ILE Chi-restraints excluded: chain O residue 156 LEU Chi-restraints excluded: chain O residue 240 ASP Chi-restraints excluded: chain P residue 98 ASN Chi-restraints excluded: chain P residue 139 ILE Chi-restraints excluded: chain P residue 156 LEU Chi-restraints excluded: chain P residue 240 ASP Chi-restraints excluded: chain Q residue 139 ILE Chi-restraints excluded: chain Q residue 240 ASP Chi-restraints excluded: chain R residue 98 ASN Chi-restraints excluded: chain R residue 139 ILE Chi-restraints excluded: chain R residue 156 LEU Chi-restraints excluded: chain R residue 160 SER Chi-restraints excluded: chain R residue 199 ARG Chi-restraints excluded: chain R residue 240 ASP Chi-restraints excluded: chain S residue 98 ASN Chi-restraints excluded: chain S residue 139 ILE Chi-restraints excluded: chain S residue 156 LEU Chi-restraints excluded: chain S residue 160 SER Chi-restraints excluded: chain S residue 240 ASP Chi-restraints excluded: chain T residue 98 ASN Chi-restraints excluded: chain T residue 139 ILE Chi-restraints excluded: chain T residue 240 ASP Chi-restraints excluded: chain U residue 98 ASN Chi-restraints excluded: chain U residue 139 ILE Chi-restraints excluded: chain U residue 156 LEU Chi-restraints excluded: chain U residue 160 SER Chi-restraints excluded: chain U residue 199 ARG Chi-restraints excluded: chain U residue 240 ASP Chi-restraints excluded: chain V residue 98 ASN Chi-restraints excluded: chain V residue 139 ILE Chi-restraints excluded: chain V residue 156 LEU Chi-restraints excluded: chain V residue 160 SER Chi-restraints excluded: chain V residue 240 ASP Chi-restraints excluded: chain W residue 98 ASN Chi-restraints excluded: chain W residue 139 ILE Chi-restraints excluded: chain W residue 240 ASP Chi-restraints excluded: chain X residue 98 ASN Chi-restraints excluded: chain X residue 139 ILE Chi-restraints excluded: chain X residue 156 LEU Chi-restraints excluded: chain X residue 240 ASP Chi-restraints excluded: chain Y residue 139 ILE Chi-restraints excluded: chain Y residue 240 ASP Chi-restraints excluded: chain Z residue 98 ASN Chi-restraints excluded: chain Z residue 139 ILE Chi-restraints excluded: chain Z residue 156 LEU Chi-restraints excluded: chain Z residue 160 SER Chi-restraints excluded: chain Z residue 240 ASP Chi-restraints excluded: chain 0 residue 98 ASN Chi-restraints excluded: chain 0 residue 139 ILE Chi-restraints excluded: chain 0 residue 240 ASP Chi-restraints excluded: chain 1 residue 98 ASN Chi-restraints excluded: chain 1 residue 139 ILE Chi-restraints excluded: chain 1 residue 156 LEU Chi-restraints excluded: chain 1 residue 160 SER Chi-restraints excluded: chain 1 residue 240 ASP Chi-restraints excluded: chain 2 residue 139 ILE Chi-restraints excluded: chain 2 residue 240 ASP Chi-restraints excluded: chain 3 residue 98 ASN Chi-restraints excluded: chain 3 residue 139 ILE Chi-restraints excluded: chain 3 residue 156 LEU Chi-restraints excluded: chain 3 residue 160 SER Chi-restraints excluded: chain 3 residue 199 ARG Chi-restraints excluded: chain 3 residue 240 ASP Chi-restraints excluded: chain 4 residue 98 ASN Chi-restraints excluded: chain 4 residue 139 ILE Chi-restraints excluded: chain 4 residue 156 LEU Chi-restraints excluded: chain 4 residue 240 ASP Chi-restraints excluded: chain 5 residue 139 ILE Chi-restraints excluded: chain 5 residue 240 ASP Chi-restraints excluded: chain 6 residue 98 ASN Chi-restraints excluded: chain 6 residue 139 ILE Chi-restraints excluded: chain 6 residue 156 LEU Chi-restraints excluded: chain 6 residue 160 SER Chi-restraints excluded: chain 6 residue 199 ARG Chi-restraints excluded: chain 6 residue 240 ASP Chi-restraints excluded: chain 7 residue 98 ASN Chi-restraints excluded: chain 7 residue 139 ILE Chi-restraints excluded: chain 7 residue 156 LEU Chi-restraints excluded: chain 7 residue 160 SER Chi-restraints excluded: chain 7 residue 240 ASP Chi-restraints excluded: chain 8 residue 98 ASN Chi-restraints excluded: chain 8 residue 139 ILE Chi-restraints excluded: chain 8 residue 240 ASP Chi-restraints excluded: chain 9 residue 240 ASP Chi-restraints excluded: chain a residue 98 ASN Chi-restraints excluded: chain a residue 139 ILE Chi-restraints excluded: chain a residue 156 LEU Chi-restraints excluded: chain a residue 160 SER Chi-restraints excluded: chain a residue 199 ARG Chi-restraints excluded: chain a residue 240 ASP Chi-restraints excluded: chain b residue 98 ASN Chi-restraints excluded: chain b residue 139 ILE Chi-restraints excluded: chain b residue 156 LEU Chi-restraints excluded: chain b residue 160 SER Chi-restraints excluded: chain b residue 240 ASP Chi-restraints excluded: chain c residue 98 ASN Chi-restraints excluded: chain c residue 139 ILE Chi-restraints excluded: chain c residue 240 ASP Chi-restraints excluded: chain d residue 98 ASN Chi-restraints excluded: chain d residue 139 ILE Chi-restraints excluded: chain d residue 156 LEU Chi-restraints excluded: chain d residue 240 ASP Chi-restraints excluded: chain e residue 98 ASN Chi-restraints excluded: chain e residue 139 ILE Chi-restraints excluded: chain e residue 156 LEU Chi-restraints excluded: chain e residue 240 ASP Chi-restraints excluded: chain f residue 139 ILE Chi-restraints excluded: chain f residue 240 ASP Chi-restraints excluded: chain g residue 98 ASN Chi-restraints excluded: chain g residue 139 ILE Chi-restraints excluded: chain g residue 156 LEU Chi-restraints excluded: chain g residue 160 SER Chi-restraints excluded: chain g residue 199 ARG Chi-restraints excluded: chain g residue 240 ASP Chi-restraints excluded: chain h residue 98 ASN Chi-restraints excluded: chain h residue 139 ILE Chi-restraints excluded: chain h residue 156 LEU Chi-restraints excluded: chain h residue 160 SER Chi-restraints excluded: chain h residue 240 ASP Chi-restraints excluded: chain i residue 98 ASN Chi-restraints excluded: chain i residue 139 ILE Chi-restraints excluded: chain i residue 240 ASP Chi-restraints excluded: chain j residue 98 ASN Chi-restraints excluded: chain j residue 139 ILE Chi-restraints excluded: chain j residue 240 ASP Chi-restraints excluded: chain k residue 98 ASN Chi-restraints excluded: chain k residue 139 ILE Chi-restraints excluded: chain k residue 156 LEU Chi-restraints excluded: chain k residue 160 SER Chi-restraints excluded: chain k residue 199 ARG Chi-restraints excluded: chain k residue 240 ASP Chi-restraints excluded: chain l residue 98 ASN Chi-restraints excluded: chain l residue 139 ILE Chi-restraints excluded: chain l residue 156 LEU Chi-restraints excluded: chain l residue 160 SER Chi-restraints excluded: chain l residue 240 ASP Chi-restraints excluded: chain m residue 98 ASN Chi-restraints excluded: chain m residue 139 ILE Chi-restraints excluded: chain m residue 240 ASP Chi-restraints excluded: chain n residue 98 ASN Chi-restraints excluded: chain n residue 139 ILE Chi-restraints excluded: chain n residue 156 LEU Chi-restraints excluded: chain n residue 240 ASP Chi-restraints excluded: chain o residue 98 ASN Chi-restraints excluded: chain o residue 139 ILE Chi-restraints excluded: chain o residue 156 LEU Chi-restraints excluded: chain o residue 160 SER Chi-restraints excluded: chain o residue 199 ARG Chi-restraints excluded: chain o residue 240 ASP Chi-restraints excluded: chain p residue 98 ASN Chi-restraints excluded: chain p residue 139 ILE Chi-restraints excluded: chain p residue 156 LEU Chi-restraints excluded: chain p residue 160 SER Chi-restraints excluded: chain p residue 240 ASP Chi-restraints excluded: chain q residue 98 ASN Chi-restraints excluded: chain q residue 139 ILE Chi-restraints excluded: chain q residue 240 ASP Chi-restraints excluded: chain r residue 98 ASN Chi-restraints excluded: chain r residue 139 ILE Chi-restraints excluded: chain r residue 156 LEU Chi-restraints excluded: chain r residue 240 ASP Chi-restraints excluded: chain s residue 139 ILE Chi-restraints excluded: chain s residue 240 ASP Chi-restraints excluded: chain t residue 98 ASN Chi-restraints excluded: chain t residue 139 ILE Chi-restraints excluded: chain t residue 156 LEU Chi-restraints excluded: chain t residue 160 SER Chi-restraints excluded: chain t residue 240 ASP Chi-restraints excluded: chain u residue 98 ASN Chi-restraints excluded: chain u residue 139 ILE Chi-restraints excluded: chain u residue 240 ASP Chi-restraints excluded: chain v residue 98 ASN Chi-restraints excluded: chain v residue 139 ILE Chi-restraints excluded: chain v residue 156 LEU Chi-restraints excluded: chain v residue 240 ASP Chi-restraints excluded: chain w residue 139 ILE Chi-restraints excluded: chain w residue 240 ASP Chi-restraints excluded: chain x residue 98 ASN Chi-restraints excluded: chain x residue 139 ILE Chi-restraints excluded: chain x residue 156 LEU Chi-restraints excluded: chain x residue 160 SER Chi-restraints excluded: chain x residue 199 ARG Chi-restraints excluded: chain x residue 240 ASP 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: 20.0000 chunk 1179 optimal weight: 7.9990 chunk 964 optimal weight: 6.9990 chunk 390 optimal weight: 5.9990 chunk 1419 optimal weight: 2.9990 chunk 1533 optimal weight: 5.9990 chunk 1263 optimal weight: 7.9990 chunk 1407 optimal weight: 3.9990 chunk 483 optimal weight: 8.9990 chunk 1138 optimal weight: 6.9990 overall best weight: 4.5990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 256 ASN ** C 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 256 ASN D 17 GLN H 256 ASN ** I 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 256 ASN J 17 GLN K 17 GLN N 256 ASN ** O 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 256 ASN P 256 ASN Q 17 GLN T 256 ASN W 256 ASN ** X 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 256 ASN Y 17 GLN 0 256 ASN 1 256 ASN 2 17 GLN 4 256 ASN 5 17 GLN 8 256 ASN 9 17 GLN c 256 ASN d 256 ASN ** e 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 256 ASN f 17 GLN i 256 ASN j 17 GLN m 256 ASN ** n 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 256 ASN q 256 ASN ** r 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 256 ASN s 17 GLN u 256 ASN ** v 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 256 ASN w 17 GLN Total number of N/Q/H flips: 36 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8358 moved from start: 0.0853 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.028 133380 Z= 0.320 Angle : 0.749 7.361 180180 Z= 0.404 Chirality : 0.049 0.171 19800 Planarity : 0.006 0.059 22980 Dihedral : 6.295 41.952 18529 Min Nonbonded Distance : 2.297 Molprobity Statistics. All-atom Clashscore : 2.10 Ramachandran Plot: Outliers : 0.00 % Allowed : 7.07 % Favored : 92.93 % Rotamer: Outliers : 2.80 % Allowed : 13.68 % Favored : 83.53 % 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: -1.37 (0.06), residues: 15780 helix: 0.78 (0.07), residues: 4500 sheet: -0.28 (0.10), residues: 3240 loop : -2.27 (0.06), residues: 8040 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.007 0.001 TRP f 45 HIS 0.004 0.002 HIS x 50 PHE 0.016 0.002 PHE t 114 TYR 0.008 0.001 TYR A 234 ARG 0.004 0.001 ARG L 187 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 949 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 393 poor density : 556 time to evaluate : 11.661 Fit side-chains REVERT: A 54 GLU cc_start: 0.7899 (mt-10) cc_final: 0.7694 (mt-10) REVERT: E 199 ARG cc_start: 0.8047 (OUTLIER) cc_final: 0.6721 (mtp85) REVERT: F 199 ARG cc_start: 0.8037 (OUTLIER) cc_final: 0.6699 (mtp85) REVERT: G 54 GLU cc_start: 0.7897 (mt-10) cc_final: 0.7694 (mt-10) REVERT: L 199 ARG cc_start: 0.8059 (OUTLIER) cc_final: 0.6727 (mtp85) REVERT: M 54 GLU cc_start: 0.7897 (mt-10) cc_final: 0.7695 (mt-10) REVERT: R 199 ARG cc_start: 0.8048 (OUTLIER) cc_final: 0.6720 (mtp85) REVERT: S 54 GLU cc_start: 0.7899 (mt-10) cc_final: 0.7694 (mt-10) REVERT: U 199 ARG cc_start: 0.8046 (OUTLIER) cc_final: 0.6705 (mtp85) REVERT: V 54 GLU cc_start: 0.7895 (mt-10) cc_final: 0.7694 (mt-10) REVERT: Z 54 GLU cc_start: 0.7901 (mt-10) cc_final: 0.7697 (mt-10) REVERT: 3 199 ARG cc_start: 0.8037 (OUTLIER) cc_final: 0.6702 (mtp85) REVERT: 6 199 ARG cc_start: 0.8045 (OUTLIER) cc_final: 0.6706 (mtp85) REVERT: 7 54 GLU cc_start: 0.7898 (mt-10) cc_final: 0.7693 (mt-10) REVERT: a 199 ARG cc_start: 0.8045 (OUTLIER) cc_final: 0.6705 (mtp85) REVERT: b 54 GLU cc_start: 0.7898 (mt-10) cc_final: 0.7695 (mt-10) REVERT: g 199 ARG cc_start: 0.8049 (OUTLIER) cc_final: 0.6722 (mtp85) REVERT: h 54 GLU cc_start: 0.7899 (mt-10) cc_final: 0.7694 (mt-10) REVERT: k 199 ARG cc_start: 0.8049 (OUTLIER) cc_final: 0.6722 (mtp85) REVERT: l 54 GLU cc_start: 0.7898 (mt-10) cc_final: 0.7694 (mt-10) REVERT: o 199 ARG cc_start: 0.8055 (OUTLIER) cc_final: 0.6725 (mtp85) REVERT: p 54 GLU cc_start: 0.7899 (mt-10) cc_final: 0.7695 (mt-10) REVERT: t 54 GLU cc_start: 0.7897 (mt-10) cc_final: 0.7695 (mt-10) REVERT: x 199 ARG cc_start: 0.8039 (OUTLIER) cc_final: 0.6703 (mtp85) outliers start: 393 outliers final: 277 residues processed: 895 average time/residue: 1.7753 time to fit residues: 2282.5001 Evaluate side-chains 839 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 289 poor density : 550 time to evaluate : 11.250 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 98 ASN Chi-restraints excluded: chain A residue 139 ILE Chi-restraints excluded: chain A residue 156 LEU Chi-restraints excluded: chain A residue 160 SER Chi-restraints excluded: chain A residue 205 THR Chi-restraints excluded: chain A residue 240 ASP Chi-restraints excluded: chain B residue 38 ASP Chi-restraints excluded: chain B residue 160 SER Chi-restraints excluded: chain B residue 240 ASP Chi-restraints excluded: chain C residue 98 ASN Chi-restraints excluded: chain C residue 139 ILE Chi-restraints excluded: chain C residue 156 LEU Chi-restraints excluded: chain C residue 160 SER Chi-restraints excluded: chain C residue 240 ASP Chi-restraints excluded: chain D residue 98 ASN Chi-restraints excluded: chain D residue 139 ILE Chi-restraints excluded: chain D residue 240 ASP Chi-restraints excluded: chain E residue 75 LEU Chi-restraints excluded: chain E residue 98 ASN Chi-restraints excluded: chain E residue 139 ILE Chi-restraints excluded: chain E residue 156 LEU Chi-restraints excluded: chain E residue 160 SER Chi-restraints excluded: chain E residue 199 ARG Chi-restraints excluded: chain E residue 240 ASP Chi-restraints excluded: chain F residue 75 LEU Chi-restraints excluded: chain F residue 98 ASN Chi-restraints excluded: chain F residue 139 ILE Chi-restraints excluded: chain F residue 156 LEU Chi-restraints excluded: chain F residue 160 SER Chi-restraints excluded: chain F residue 199 ARG Chi-restraints excluded: chain F residue 240 ASP Chi-restraints excluded: chain G residue 98 ASN Chi-restraints excluded: chain G residue 139 ILE Chi-restraints excluded: chain G residue 156 LEU Chi-restraints excluded: chain G residue 160 SER Chi-restraints excluded: chain G residue 205 THR Chi-restraints excluded: chain G residue 240 ASP Chi-restraints excluded: chain H residue 38 ASP Chi-restraints excluded: chain H residue 139 ILE Chi-restraints excluded: chain H residue 160 SER Chi-restraints excluded: chain H residue 240 ASP Chi-restraints excluded: chain I residue 98 ASN Chi-restraints excluded: chain I residue 139 ILE Chi-restraints excluded: chain I residue 156 LEU Chi-restraints excluded: chain I residue 160 SER Chi-restraints excluded: chain I residue 240 ASP Chi-restraints excluded: chain J residue 98 ASN Chi-restraints excluded: chain J residue 139 ILE Chi-restraints excluded: chain J residue 240 ASP Chi-restraints excluded: chain K residue 139 ILE Chi-restraints excluded: chain K residue 240 ASP Chi-restraints excluded: chain L residue 75 LEU Chi-restraints excluded: chain L residue 98 ASN Chi-restraints excluded: chain L residue 139 ILE Chi-restraints excluded: chain L residue 156 LEU Chi-restraints excluded: chain L residue 160 SER Chi-restraints excluded: chain L residue 199 ARG Chi-restraints excluded: chain L residue 240 ASP Chi-restraints excluded: chain M residue 98 ASN Chi-restraints excluded: chain M residue 139 ILE Chi-restraints excluded: chain M residue 156 LEU Chi-restraints excluded: chain M residue 160 SER Chi-restraints excluded: chain M residue 205 THR Chi-restraints excluded: chain M residue 240 ASP Chi-restraints excluded: chain N residue 38 ASP Chi-restraints excluded: chain N residue 139 ILE Chi-restraints excluded: chain N residue 160 SER Chi-restraints excluded: chain N residue 240 ASP Chi-restraints excluded: chain O residue 98 ASN Chi-restraints excluded: chain O residue 139 ILE Chi-restraints excluded: chain O residue 156 LEU Chi-restraints excluded: chain O residue 160 SER Chi-restraints excluded: chain O residue 240 ASP Chi-restraints excluded: chain P residue 98 ASN Chi-restraints excluded: chain P residue 139 ILE Chi-restraints excluded: chain P residue 156 LEU Chi-restraints excluded: chain P residue 160 SER Chi-restraints excluded: chain P residue 240 ASP Chi-restraints excluded: chain Q residue 139 ILE Chi-restraints excluded: chain Q residue 240 ASP Chi-restraints excluded: chain R residue 75 LEU Chi-restraints excluded: chain R residue 98 ASN Chi-restraints excluded: chain R residue 139 ILE Chi-restraints excluded: chain R residue 156 LEU Chi-restraints excluded: chain R residue 160 SER Chi-restraints excluded: chain R residue 199 ARG Chi-restraints excluded: chain R residue 240 ASP Chi-restraints excluded: chain S residue 98 ASN Chi-restraints excluded: chain S residue 139 ILE Chi-restraints excluded: chain S residue 156 LEU Chi-restraints excluded: chain S residue 160 SER Chi-restraints excluded: chain S residue 205 THR Chi-restraints excluded: chain S residue 240 ASP Chi-restraints excluded: chain T residue 38 ASP Chi-restraints excluded: chain T residue 139 ILE Chi-restraints excluded: chain T residue 160 SER Chi-restraints excluded: chain T residue 240 ASP Chi-restraints excluded: chain U residue 75 LEU Chi-restraints excluded: chain U residue 98 ASN Chi-restraints excluded: chain U residue 139 ILE Chi-restraints excluded: chain U residue 156 LEU Chi-restraints excluded: chain U residue 160 SER Chi-restraints excluded: chain U residue 199 ARG Chi-restraints excluded: chain U residue 240 ASP Chi-restraints excluded: chain V residue 98 ASN Chi-restraints excluded: chain V residue 139 ILE Chi-restraints excluded: chain V residue 156 LEU Chi-restraints excluded: chain V residue 160 SER Chi-restraints excluded: chain V residue 205 THR Chi-restraints excluded: chain V residue 240 ASP Chi-restraints excluded: chain W residue 38 ASP Chi-restraints excluded: chain W residue 139 ILE Chi-restraints excluded: chain W residue 160 SER Chi-restraints excluded: chain W residue 240 ASP Chi-restraints excluded: chain X residue 98 ASN Chi-restraints excluded: chain X residue 139 ILE Chi-restraints excluded: chain X residue 156 LEU Chi-restraints excluded: chain X residue 160 SER Chi-restraints excluded: chain X residue 240 ASP Chi-restraints excluded: chain Y residue 139 ILE Chi-restraints excluded: chain Y residue 240 ASP Chi-restraints excluded: chain Z residue 98 ASN Chi-restraints excluded: chain Z residue 139 ILE Chi-restraints excluded: chain Z residue 156 LEU Chi-restraints excluded: chain Z residue 160 SER Chi-restraints excluded: chain Z residue 205 THR Chi-restraints excluded: chain Z residue 240 ASP Chi-restraints excluded: chain 0 residue 38 ASP Chi-restraints excluded: chain 0 residue 139 ILE Chi-restraints excluded: chain 0 residue 160 SER Chi-restraints excluded: chain 0 residue 240 ASP Chi-restraints excluded: chain 1 residue 98 ASN Chi-restraints excluded: chain 1 residue 139 ILE Chi-restraints excluded: chain 1 residue 156 LEU Chi-restraints excluded: chain 1 residue 240 ASP Chi-restraints excluded: chain 2 residue 139 ILE Chi-restraints excluded: chain 2 residue 240 ASP Chi-restraints excluded: chain 3 residue 75 LEU Chi-restraints excluded: chain 3 residue 98 ASN Chi-restraints excluded: chain 3 residue 139 ILE Chi-restraints excluded: chain 3 residue 156 LEU Chi-restraints excluded: chain 3 residue 160 SER Chi-restraints excluded: chain 3 residue 199 ARG Chi-restraints excluded: chain 3 residue 240 ASP Chi-restraints excluded: chain 4 residue 98 ASN Chi-restraints excluded: chain 4 residue 139 ILE Chi-restraints excluded: chain 4 residue 156 LEU Chi-restraints excluded: chain 4 residue 160 SER Chi-restraints excluded: chain 4 residue 240 ASP Chi-restraints excluded: chain 5 residue 139 ILE Chi-restraints excluded: chain 5 residue 240 ASP Chi-restraints excluded: chain 6 residue 75 LEU Chi-restraints excluded: chain 6 residue 98 ASN Chi-restraints excluded: chain 6 residue 139 ILE Chi-restraints excluded: chain 6 residue 156 LEU Chi-restraints excluded: chain 6 residue 160 SER Chi-restraints excluded: chain 6 residue 199 ARG Chi-restraints excluded: chain 6 residue 240 ASP Chi-restraints excluded: chain 7 residue 98 ASN Chi-restraints excluded: chain 7 residue 139 ILE Chi-restraints excluded: chain 7 residue 156 LEU Chi-restraints excluded: chain 7 residue 160 SER Chi-restraints excluded: chain 7 residue 205 THR Chi-restraints excluded: chain 7 residue 240 ASP Chi-restraints excluded: chain 8 residue 38 ASP Chi-restraints excluded: chain 8 residue 139 ILE Chi-restraints excluded: chain 8 residue 160 SER Chi-restraints excluded: chain 8 residue 240 ASP Chi-restraints excluded: chain 9 residue 139 ILE Chi-restraints excluded: chain 9 residue 240 ASP Chi-restraints excluded: chain a residue 75 LEU Chi-restraints excluded: chain a residue 98 ASN Chi-restraints excluded: chain a residue 139 ILE Chi-restraints excluded: chain a residue 156 LEU Chi-restraints excluded: chain a residue 160 SER Chi-restraints excluded: chain a residue 199 ARG Chi-restraints excluded: chain a residue 240 ASP Chi-restraints excluded: chain b residue 98 ASN Chi-restraints excluded: chain b residue 139 ILE Chi-restraints excluded: chain b residue 156 LEU Chi-restraints excluded: chain b residue 160 SER Chi-restraints excluded: chain b residue 205 THR Chi-restraints excluded: chain b residue 240 ASP Chi-restraints excluded: chain c residue 38 ASP Chi-restraints excluded: chain c residue 139 ILE Chi-restraints excluded: chain c residue 160 SER Chi-restraints excluded: chain c residue 240 ASP Chi-restraints excluded: chain d residue 98 ASN Chi-restraints excluded: chain d residue 139 ILE Chi-restraints excluded: chain d residue 156 LEU Chi-restraints excluded: chain d residue 160 SER Chi-restraints excluded: chain d residue 240 ASP Chi-restraints excluded: chain e residue 98 ASN Chi-restraints excluded: chain e residue 139 ILE Chi-restraints excluded: chain e residue 156 LEU Chi-restraints excluded: chain e residue 160 SER Chi-restraints excluded: chain e residue 240 ASP Chi-restraints excluded: chain f residue 139 ILE Chi-restraints excluded: chain f residue 240 ASP Chi-restraints excluded: chain g residue 75 LEU Chi-restraints excluded: chain g residue 98 ASN Chi-restraints excluded: chain g residue 139 ILE Chi-restraints excluded: chain g residue 156 LEU Chi-restraints excluded: chain g residue 160 SER Chi-restraints excluded: chain g residue 199 ARG Chi-restraints excluded: chain g residue 240 ASP Chi-restraints excluded: chain h residue 98 ASN Chi-restraints excluded: chain h residue 139 ILE Chi-restraints excluded: chain h residue 156 LEU Chi-restraints excluded: chain h residue 160 SER Chi-restraints excluded: chain h residue 205 THR Chi-restraints excluded: chain h residue 240 ASP Chi-restraints excluded: chain i residue 38 ASP Chi-restraints excluded: chain i residue 139 ILE Chi-restraints excluded: chain i residue 160 SER Chi-restraints excluded: chain i residue 240 ASP Chi-restraints excluded: chain j residue 98 ASN Chi-restraints excluded: chain j residue 139 ILE Chi-restraints excluded: chain j residue 240 ASP Chi-restraints excluded: chain k residue 75 LEU Chi-restraints excluded: chain k residue 98 ASN Chi-restraints excluded: chain k residue 139 ILE Chi-restraints excluded: chain k residue 156 LEU Chi-restraints excluded: chain k residue 160 SER Chi-restraints excluded: chain k residue 199 ARG Chi-restraints excluded: chain k residue 240 ASP Chi-restraints excluded: chain l residue 98 ASN Chi-restraints excluded: chain l residue 139 ILE Chi-restraints excluded: chain l residue 156 LEU Chi-restraints excluded: chain l residue 160 SER Chi-restraints excluded: chain l residue 205 THR Chi-restraints excluded: chain l residue 240 ASP Chi-restraints excluded: chain m residue 38 ASP Chi-restraints excluded: chain m residue 139 ILE Chi-restraints excluded: chain m residue 160 SER Chi-restraints excluded: chain m residue 240 ASP Chi-restraints excluded: chain n residue 98 ASN Chi-restraints excluded: chain n residue 139 ILE Chi-restraints excluded: chain n residue 156 LEU Chi-restraints excluded: chain n residue 160 SER Chi-restraints excluded: chain n residue 240 ASP Chi-restraints excluded: chain o residue 75 LEU Chi-restraints excluded: chain o residue 98 ASN Chi-restraints excluded: chain o residue 139 ILE Chi-restraints excluded: chain o residue 156 LEU Chi-restraints excluded: chain o residue 160 SER Chi-restraints excluded: chain o residue 199 ARG Chi-restraints excluded: chain o residue 240 ASP Chi-restraints excluded: chain p residue 98 ASN Chi-restraints excluded: chain p residue 139 ILE Chi-restraints excluded: chain p residue 156 LEU Chi-restraints excluded: chain p residue 160 SER Chi-restraints excluded: chain p residue 205 THR Chi-restraints excluded: chain p residue 240 ASP Chi-restraints excluded: chain q residue 38 ASP Chi-restraints excluded: chain q residue 139 ILE Chi-restraints excluded: chain q residue 160 SER Chi-restraints excluded: chain q residue 240 ASP Chi-restraints excluded: chain r residue 98 ASN Chi-restraints excluded: chain r residue 139 ILE Chi-restraints excluded: chain r residue 156 LEU Chi-restraints excluded: chain r residue 160 SER Chi-restraints excluded: chain r residue 240 ASP Chi-restraints excluded: chain s residue 139 ILE Chi-restraints excluded: chain s residue 240 ASP Chi-restraints excluded: chain t residue 98 ASN Chi-restraints excluded: chain t residue 139 ILE Chi-restraints excluded: chain t residue 156 LEU Chi-restraints excluded: chain t residue 160 SER Chi-restraints excluded: chain t residue 205 THR Chi-restraints excluded: chain t residue 240 ASP Chi-restraints excluded: chain u residue 38 ASP Chi-restraints excluded: chain u residue 139 ILE Chi-restraints excluded: chain u residue 160 SER Chi-restraints excluded: chain u residue 240 ASP Chi-restraints excluded: chain v residue 98 ASN Chi-restraints excluded: chain v residue 139 ILE Chi-restraints excluded: chain v residue 156 LEU Chi-restraints excluded: chain v residue 160 SER Chi-restraints excluded: chain v residue 240 ASP Chi-restraints excluded: chain w residue 139 ILE Chi-restraints excluded: chain w residue 240 ASP Chi-restraints excluded: chain x residue 75 LEU Chi-restraints excluded: chain x residue 98 ASN Chi-restraints excluded: chain x residue 139 ILE Chi-restraints excluded: chain x residue 156 LEU Chi-restraints excluded: chain x residue 160 SER Chi-restraints excluded: chain x residue 199 ARG Chi-restraints excluded: chain x residue 240 ASP 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: 2.9990 chunk 736 optimal weight: 5.9990 chunk 157 optimal weight: 0.8980 chunk 677 optimal weight: 0.9990 chunk 952 optimal weight: 0.8980 chunk 1424 optimal weight: 3.9990 chunk 1507 optimal weight: 0.8980 chunk 744 optimal weight: 10.0000 chunk 1349 optimal weight: 6.9990 chunk 406 optimal weight: 9.9990 overall best weight: 1.3384 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 256 ASN ** C 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 256 ASN D 17 GLN H 256 ASN ** I 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 256 ASN J 17 GLN K 17 GLN N 256 ASN ** O 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 256 ASN P 256 ASN Q 17 GLN T 256 ASN W 256 ASN X 228 GLN X 256 ASN Y 17 GLN 0 256 ASN 1 256 ASN 2 17 GLN 4 256 ASN 5 17 GLN 8 256 ASN 9 17 GLN c 256 ASN d 256 ASN ** e 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 256 ASN f 17 GLN i 256 ASN j 17 GLN m 256 ASN ** n 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 256 ASN q 256 ASN ** r 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 256 ASN s 17 GLN u 256 ASN ** v 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 256 ASN w 17 GLN Total number of N/Q/H flips: 37 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8238 moved from start: 0.1388 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.025 133380 Z= 0.154 Angle : 0.521 5.494 180180 Z= 0.287 Chirality : 0.044 0.146 19800 Planarity : 0.005 0.055 22980 Dihedral : 5.246 29.283 18504 Min Nonbonded Distance : 2.334 Molprobity Statistics. All-atom Clashscore : 1.93 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.98 % Favored : 96.02 % Rotamer: Outliers : 2.47 % Allowed : 14.27 % Favored : 83.25 % 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: -1.24 (0.06), residues: 15780 helix: 0.85 (0.07), residues: 4800 sheet: -0.31 (0.10), residues: 2820 loop : -2.14 (0.06), residues: 8160 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.005 0.001 TRP I 16 HIS 0.002 0.001 HIS 6 50 PHE 0.009 0.001 PHE 2 114 TYR 0.005 0.001 TYR M 234 ARG 0.003 0.000 ARG s 187 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 935 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 347 poor density : 588 time to evaluate : 10.154 Fit side-chains REVERT: B 199 ARG cc_start: 0.7912 (OUTLIER) cc_final: 0.6396 (mtp85) REVERT: E 199 ARG cc_start: 0.7894 (OUTLIER) cc_final: 0.6538 (mtp85) REVERT: F 199 ARG cc_start: 0.7897 (OUTLIER) cc_final: 0.6538 (mtp85) REVERT: H 199 ARG cc_start: 0.7910 (OUTLIER) cc_final: 0.6396 (mtp85) REVERT: L 199 ARG cc_start: 0.7900 (OUTLIER) cc_final: 0.6542 (mtp85) REVERT: N 199 ARG cc_start: 0.7911 (OUTLIER) cc_final: 0.6394 (mtp85) REVERT: R 199 ARG cc_start: 0.7894 (OUTLIER) cc_final: 0.6538 (mtp85) REVERT: T 199 ARG cc_start: 0.7912 (OUTLIER) cc_final: 0.6397 (mtp85) REVERT: U 199 ARG cc_start: 0.7901 (OUTLIER) cc_final: 0.6541 (mtp85) REVERT: W 199 ARG cc_start: 0.7912 (OUTLIER) cc_final: 0.6398 (mtp85) REVERT: 0 199 ARG cc_start: 0.7912 (OUTLIER) cc_final: 0.6395 (mtp85) REVERT: 3 199 ARG cc_start: 0.7896 (OUTLIER) cc_final: 0.6540 (mtp85) REVERT: 6 199 ARG cc_start: 0.7898 (OUTLIER) cc_final: 0.6541 (mtp85) REVERT: 8 199 ARG cc_start: 0.7911 (OUTLIER) cc_final: 0.6397 (mtp85) REVERT: a 199 ARG cc_start: 0.7898 (OUTLIER) cc_final: 0.6540 (mtp85) REVERT: c 199 ARG cc_start: 0.7911 (OUTLIER) cc_final: 0.6395 (mtp85) REVERT: g 199 ARG cc_start: 0.7897 (OUTLIER) cc_final: 0.6541 (mtp85) REVERT: i 199 ARG cc_start: 0.7911 (OUTLIER) cc_final: 0.6390 (mtp85) REVERT: k 199 ARG cc_start: 0.7898 (OUTLIER) cc_final: 0.6541 (mtp85) REVERT: m 199 ARG cc_start: 0.7912 (OUTLIER) cc_final: 0.6396 (mtp85) REVERT: o 199 ARG cc_start: 0.7896 (OUTLIER) cc_final: 0.6533 (mtp85) REVERT: q 199 ARG cc_start: 0.7912 (OUTLIER) cc_final: 0.6398 (mtp85) REVERT: u 199 ARG cc_start: 0.7911 (OUTLIER) cc_final: 0.6394 (mtp85) REVERT: x 199 ARG cc_start: 0.7901 (OUTLIER) cc_final: 0.6542 (mtp85) outliers start: 347 outliers final: 190 residues processed: 862 average time/residue: 1.8100 time to fit residues: 2224.4850 Evaluate side-chains 771 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 214 poor density : 557 time to evaluate : 11.365 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 98 ASN Chi-restraints excluded: chain A residue 240 ASP Chi-restraints excluded: chain B residue 38 ASP Chi-restraints excluded: chain B residue 199 ARG Chi-restraints excluded: chain B residue 240 ASP Chi-restraints excluded: chain C residue 98 ASN Chi-restraints excluded: chain C residue 139 ILE Chi-restraints excluded: chain C residue 159 PHE Chi-restraints excluded: chain C residue 240 ASP Chi-restraints excluded: chain D residue 98 ASN Chi-restraints excluded: chain D residue 139 ILE Chi-restraints excluded: chain D residue 159 PHE Chi-restraints excluded: chain D residue 240 ASP Chi-restraints excluded: chain E residue 98 ASN Chi-restraints excluded: chain E residue 139 ILE Chi-restraints excluded: chain E residue 199 ARG Chi-restraints excluded: chain E residue 240 ASP Chi-restraints excluded: chain F residue 98 ASN Chi-restraints excluded: chain F residue 139 ILE Chi-restraints excluded: chain F residue 199 ARG Chi-restraints excluded: chain F residue 240 ASP Chi-restraints excluded: chain G residue 98 ASN Chi-restraints excluded: chain G residue 240 ASP Chi-restraints excluded: chain H residue 38 ASP Chi-restraints excluded: chain H residue 139 ILE Chi-restraints excluded: chain H residue 199 ARG Chi-restraints excluded: chain H residue 240 ASP Chi-restraints excluded: chain I residue 98 ASN Chi-restraints excluded: chain I residue 139 ILE Chi-restraints excluded: chain I residue 159 PHE Chi-restraints excluded: chain I residue 240 ASP Chi-restraints excluded: chain J residue 98 ASN Chi-restraints excluded: chain J residue 139 ILE Chi-restraints excluded: chain J residue 159 PHE Chi-restraints excluded: chain J residue 240 ASP Chi-restraints excluded: chain K residue 98 ASN Chi-restraints excluded: chain K residue 139 ILE Chi-restraints excluded: chain K residue 159 PHE Chi-restraints excluded: chain K residue 240 ASP Chi-restraints excluded: chain L residue 98 ASN Chi-restraints excluded: chain L residue 139 ILE Chi-restraints excluded: chain L residue 199 ARG Chi-restraints excluded: chain L residue 240 ASP Chi-restraints excluded: chain M residue 98 ASN Chi-restraints excluded: chain M residue 240 ASP Chi-restraints excluded: chain N residue 38 ASP Chi-restraints excluded: chain N residue 139 ILE Chi-restraints excluded: chain N residue 199 ARG Chi-restraints excluded: chain N residue 240 ASP Chi-restraints excluded: chain O residue 98 ASN Chi-restraints excluded: chain O residue 139 ILE Chi-restraints excluded: chain O residue 159 PHE Chi-restraints excluded: chain O residue 240 ASP Chi-restraints excluded: chain P residue 98 ASN Chi-restraints excluded: chain P residue 139 ILE Chi-restraints excluded: chain P residue 159 PHE Chi-restraints excluded: chain P residue 240 ASP Chi-restraints excluded: chain Q residue 98 ASN Chi-restraints excluded: chain Q residue 139 ILE Chi-restraints excluded: chain Q residue 159 PHE Chi-restraints excluded: chain Q residue 240 ASP Chi-restraints excluded: chain R residue 98 ASN Chi-restraints excluded: chain R residue 139 ILE Chi-restraints excluded: chain R residue 199 ARG Chi-restraints excluded: chain R residue 240 ASP Chi-restraints excluded: chain S residue 98 ASN Chi-restraints excluded: chain S residue 240 ASP Chi-restraints excluded: chain T residue 38 ASP Chi-restraints excluded: chain T residue 139 ILE Chi-restraints excluded: chain T residue 199 ARG Chi-restraints excluded: chain T residue 240 ASP Chi-restraints excluded: chain U residue 98 ASN Chi-restraints excluded: chain U residue 139 ILE Chi-restraints excluded: chain U residue 199 ARG Chi-restraints excluded: chain U residue 240 ASP Chi-restraints excluded: chain V residue 98 ASN Chi-restraints excluded: chain V residue 240 ASP Chi-restraints excluded: chain W residue 38 ASP Chi-restraints excluded: chain W residue 139 ILE Chi-restraints excluded: chain W residue 199 ARG Chi-restraints excluded: chain W residue 240 ASP Chi-restraints excluded: chain X residue 98 ASN Chi-restraints excluded: chain X residue 139 ILE Chi-restraints excluded: chain X residue 159 PHE Chi-restraints excluded: chain X residue 240 ASP Chi-restraints excluded: chain Y residue 98 ASN Chi-restraints excluded: chain Y residue 139 ILE Chi-restraints excluded: chain Y residue 159 PHE Chi-restraints excluded: chain Y residue 240 ASP Chi-restraints excluded: chain Z residue 98 ASN Chi-restraints excluded: chain Z residue 240 ASP Chi-restraints excluded: chain 0 residue 38 ASP Chi-restraints excluded: chain 0 residue 139 ILE Chi-restraints excluded: chain 0 residue 199 ARG Chi-restraints excluded: chain 0 residue 240 ASP Chi-restraints excluded: chain 1 residue 98 ASN Chi-restraints excluded: chain 1 residue 139 ILE Chi-restraints excluded: chain 1 residue 159 PHE Chi-restraints excluded: chain 1 residue 240 ASP Chi-restraints excluded: chain 2 residue 98 ASN Chi-restraints excluded: chain 2 residue 139 ILE Chi-restraints excluded: chain 2 residue 159 PHE Chi-restraints excluded: chain 2 residue 240 ASP Chi-restraints excluded: chain 3 residue 98 ASN Chi-restraints excluded: chain 3 residue 139 ILE Chi-restraints excluded: chain 3 residue 199 ARG Chi-restraints excluded: chain 3 residue 240 ASP Chi-restraints excluded: chain 4 residue 98 ASN Chi-restraints excluded: chain 4 residue 139 ILE Chi-restraints excluded: chain 4 residue 159 PHE Chi-restraints excluded: chain 4 residue 240 ASP Chi-restraints excluded: chain 5 residue 98 ASN Chi-restraints excluded: chain 5 residue 139 ILE Chi-restraints excluded: chain 5 residue 159 PHE Chi-restraints excluded: chain 5 residue 240 ASP Chi-restraints excluded: chain 6 residue 98 ASN Chi-restraints excluded: chain 6 residue 139 ILE Chi-restraints excluded: chain 6 residue 199 ARG Chi-restraints excluded: chain 6 residue 240 ASP Chi-restraints excluded: chain 7 residue 98 ASN Chi-restraints excluded: chain 7 residue 240 ASP Chi-restraints excluded: chain 8 residue 38 ASP Chi-restraints excluded: chain 8 residue 139 ILE Chi-restraints excluded: chain 8 residue 199 ARG Chi-restraints excluded: chain 8 residue 240 ASP Chi-restraints excluded: chain 9 residue 98 ASN Chi-restraints excluded: chain 9 residue 159 PHE Chi-restraints excluded: chain 9 residue 240 ASP Chi-restraints excluded: chain a residue 98 ASN Chi-restraints excluded: chain a residue 139 ILE Chi-restraints excluded: chain a residue 199 ARG Chi-restraints excluded: chain a residue 240 ASP Chi-restraints excluded: chain b residue 98 ASN Chi-restraints excluded: chain b residue 240 ASP Chi-restraints excluded: chain c residue 38 ASP Chi-restraints excluded: chain c residue 139 ILE Chi-restraints excluded: chain c residue 199 ARG Chi-restraints excluded: chain c residue 240 ASP Chi-restraints excluded: chain d residue 98 ASN Chi-restraints excluded: chain d residue 139 ILE Chi-restraints excluded: chain d residue 159 PHE Chi-restraints excluded: chain d residue 240 ASP Chi-restraints excluded: chain e residue 98 ASN Chi-restraints excluded: chain e residue 139 ILE Chi-restraints excluded: chain e residue 159 PHE Chi-restraints excluded: chain e residue 240 ASP Chi-restraints excluded: chain f residue 98 ASN Chi-restraints excluded: chain f residue 139 ILE Chi-restraints excluded: chain f residue 159 PHE Chi-restraints excluded: chain f residue 240 ASP Chi-restraints excluded: chain g residue 98 ASN Chi-restraints excluded: chain g residue 139 ILE Chi-restraints excluded: chain g residue 199 ARG Chi-restraints excluded: chain g residue 240 ASP Chi-restraints excluded: chain h residue 98 ASN Chi-restraints excluded: chain h residue 240 ASP Chi-restraints excluded: chain i residue 38 ASP Chi-restraints excluded: chain i residue 139 ILE Chi-restraints excluded: chain i residue 199 ARG Chi-restraints excluded: chain i residue 240 ASP Chi-restraints excluded: chain j residue 98 ASN Chi-restraints excluded: chain j residue 139 ILE Chi-restraints excluded: chain j residue 159 PHE Chi-restraints excluded: chain j residue 240 ASP Chi-restraints excluded: chain k residue 98 ASN Chi-restraints excluded: chain k residue 139 ILE Chi-restraints excluded: chain k residue 199 ARG Chi-restraints excluded: chain k residue 240 ASP Chi-restraints excluded: chain l residue 98 ASN Chi-restraints excluded: chain l residue 240 ASP Chi-restraints excluded: chain m residue 38 ASP Chi-restraints excluded: chain m residue 139 ILE Chi-restraints excluded: chain m residue 199 ARG Chi-restraints excluded: chain m residue 240 ASP Chi-restraints excluded: chain n residue 98 ASN Chi-restraints excluded: chain n residue 139 ILE Chi-restraints excluded: chain n residue 159 PHE Chi-restraints excluded: chain n residue 240 ASP Chi-restraints excluded: chain o residue 98 ASN Chi-restraints excluded: chain o residue 139 ILE Chi-restraints excluded: chain o residue 199 ARG Chi-restraints excluded: chain o residue 240 ASP Chi-restraints excluded: chain p residue 98 ASN Chi-restraints excluded: chain p residue 240 ASP Chi-restraints excluded: chain q residue 38 ASP Chi-restraints excluded: chain q residue 139 ILE Chi-restraints excluded: chain q residue 199 ARG Chi-restraints excluded: chain q residue 240 ASP Chi-restraints excluded: chain r residue 98 ASN Chi-restraints excluded: chain r residue 139 ILE Chi-restraints excluded: chain r residue 159 PHE Chi-restraints excluded: chain r residue 240 ASP Chi-restraints excluded: chain s residue 98 ASN Chi-restraints excluded: chain s residue 139 ILE Chi-restraints excluded: chain s residue 159 PHE Chi-restraints excluded: chain s residue 240 ASP Chi-restraints excluded: chain t residue 98 ASN Chi-restraints excluded: chain t residue 240 ASP Chi-restraints excluded: chain u residue 38 ASP Chi-restraints excluded: chain u residue 139 ILE Chi-restraints excluded: chain u residue 199 ARG Chi-restraints excluded: chain u residue 240 ASP Chi-restraints excluded: chain v residue 98 ASN Chi-restraints excluded: chain v residue 139 ILE Chi-restraints excluded: chain v residue 159 PHE Chi-restraints excluded: chain v residue 240 ASP Chi-restraints excluded: chain w residue 98 ASN Chi-restraints excluded: chain w residue 139 ILE Chi-restraints excluded: chain w residue 159 PHE Chi-restraints excluded: chain w residue 240 ASP Chi-restraints excluded: chain x residue 98 ASN Chi-restraints excluded: chain x residue 139 ILE Chi-restraints excluded: chain x residue 199 ARG Chi-restraints excluded: chain x residue 240 ASP Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 1255 optimal weight: 0.9980 chunk 855 optimal weight: 2.9990 chunk 21 optimal weight: 5.9990 chunk 1122 optimal weight: 9.9990 chunk 622 optimal weight: 20.0000 chunk 1286 optimal weight: 9.9990 chunk 1042 optimal weight: 6.9990 chunk 1 optimal weight: 3.9990 chunk 769 optimal weight: 5.9990 chunk 1353 optimal weight: 0.8980 chunk 380 optimal weight: 9.9990 overall best weight: 2.9786 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** C 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 256 ASN D 17 GLN ** I 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 256 ASN J 17 GLN K 17 GLN ** O 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 256 ASN P 256 ASN Q 17 GLN X 256 ASN Y 17 GLN 1 256 ASN 2 17 GLN 4 256 ASN 5 17 GLN 9 17 GLN d 256 ASN ** e 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 256 ASN f 17 GLN j 17 GLN ** n 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 256 ASN ** r 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 256 ASN s 17 GLN ** v 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 256 ASN w 17 GLN Total number of N/Q/H flips: 24 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8304 moved from start: 0.1201 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.022 133380 Z= 0.231 Angle : 0.628 5.628 180180 Z= 0.341 Chirality : 0.046 0.158 19800 Planarity : 0.005 0.055 22980 Dihedral : 5.351 27.315 18468 Min Nonbonded Distance : 2.332 Molprobity Statistics. All-atom Clashscore : 1.87 Ramachandran Plot: Outliers : 0.00 % Allowed : 6.84 % Favored : 93.16 % Rotamer: Outliers : 2.36 % Allowed : 15.25 % Favored : 82.39 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.16 (0.06), residues: 15780 helix: 1.06 (0.07), residues: 4620 sheet: -0.33 (0.10), residues: 2820 loop : -2.10 (0.06), residues: 8340 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.005 0.001 TRP 5 45 HIS 0.003 0.002 HIS 3 50 PHE 0.014 0.001 PHE 4 114 TYR 0.007 0.001 TYR l 234 ARG 0.004 0.000 ARG s 187 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 912 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 332 poor density : 580 time to evaluate : 11.508 Fit side-chains REVERT: A 253 GLN cc_start: 0.8302 (OUTLIER) cc_final: 0.8040 (tt0) REVERT: B 199 ARG cc_start: 0.8031 (OUTLIER) cc_final: 0.6561 (mtp85) REVERT: B 229 ASP cc_start: 0.7533 (OUTLIER) cc_final: 0.6941 (m-30) REVERT: D 199 ARG cc_start: 0.8138 (OUTLIER) cc_final: 0.7845 (mmt180) REVERT: E 199 ARG cc_start: 0.7926 (OUTLIER) cc_final: 0.6496 (mtp85) REVERT: F 199 ARG cc_start: 0.7926 (OUTLIER) cc_final: 0.6484 (mtp85) REVERT: H 199 ARG cc_start: 0.8028 (OUTLIER) cc_final: 0.6561 (mtp85) REVERT: H 229 ASP cc_start: 0.7528 (OUTLIER) cc_final: 0.6942 (m-30) REVERT: J 199 ARG cc_start: 0.8141 (OUTLIER) cc_final: 0.7848 (mmt180) REVERT: L 199 ARG cc_start: 0.7931 (OUTLIER) cc_final: 0.6483 (mtp85) REVERT: M 253 GLN cc_start: 0.8295 (OUTLIER) cc_final: 0.8038 (tt0) REVERT: N 199 ARG cc_start: 0.8030 (OUTLIER) cc_final: 0.6559 (mtp85) REVERT: N 229 ASP cc_start: 0.7527 (OUTLIER) cc_final: 0.6940 (m-30) REVERT: Q 199 ARG cc_start: 0.8140 (OUTLIER) cc_final: 0.7847 (mmt180) REVERT: R 199 ARG cc_start: 0.7924 (OUTLIER) cc_final: 0.6490 (mtp85) REVERT: T 199 ARG cc_start: 0.8029 (OUTLIER) cc_final: 0.6560 (mtp85) REVERT: T 229 ASP cc_start: 0.7531 (OUTLIER) cc_final: 0.6940 (m-30) REVERT: U 199 ARG cc_start: 0.7930 (OUTLIER) cc_final: 0.6482 (mtp85) REVERT: V 253 GLN cc_start: 0.8297 (OUTLIER) cc_final: 0.8035 (tt0) REVERT: W 199 ARG cc_start: 0.8030 (OUTLIER) cc_final: 0.6560 (mtp85) REVERT: W 229 ASP cc_start: 0.7529 (OUTLIER) cc_final: 0.6941 (m-30) REVERT: Y 199 ARG cc_start: 0.8139 (OUTLIER) cc_final: 0.7849 (mmt180) REVERT: Z 253 GLN cc_start: 0.8304 (OUTLIER) cc_final: 0.8042 (tt0) REVERT: 0 199 ARG cc_start: 0.8027 (OUTLIER) cc_final: 0.6557 (mtp85) REVERT: 0 229 ASP cc_start: 0.7523 (OUTLIER) cc_final: 0.6937 (m-30) REVERT: 2 199 ARG cc_start: 0.8128 (OUTLIER) cc_final: 0.7840 (mmt180) REVERT: 3 199 ARG cc_start: 0.7926 (OUTLIER) cc_final: 0.6494 (mtp85) REVERT: 5 199 ARG cc_start: 0.8127 (OUTLIER) cc_final: 0.7839 (mmt180) REVERT: 6 199 ARG cc_start: 0.7928 (OUTLIER) cc_final: 0.6487 (mtp85) REVERT: 8 199 ARG cc_start: 0.8028 (OUTLIER) cc_final: 0.6562 (mtp85) REVERT: 8 229 ASP cc_start: 0.7529 (OUTLIER) cc_final: 0.6940 (m-30) REVERT: 9 199 ARG cc_start: 0.8141 (OUTLIER) cc_final: 0.7848 (mmt180) REVERT: a 199 ARG cc_start: 0.7931 (OUTLIER) cc_final: 0.6483 (mtp85) REVERT: b 253 GLN cc_start: 0.8299 (OUTLIER) cc_final: 0.8041 (tt0) REVERT: c 199 ARG cc_start: 0.8028 (OUTLIER) cc_final: 0.6559 (mtp85) REVERT: c 229 ASP cc_start: 0.7527 (OUTLIER) cc_final: 0.6939 (m-30) REVERT: d 210 GLU cc_start: 0.6939 (tt0) cc_final: 0.6702 (tp30) REVERT: f 199 ARG cc_start: 0.8131 (OUTLIER) cc_final: 0.7846 (mmt180) REVERT: g 199 ARG cc_start: 0.7930 (OUTLIER) cc_final: 0.6497 (mtp85) REVERT: h 253 GLN cc_start: 0.8296 (OUTLIER) cc_final: 0.8035 (tt0) REVERT: i 199 ARG cc_start: 0.8028 (OUTLIER) cc_final: 0.6555 (mtp85) REVERT: i 229 ASP cc_start: 0.7527 (OUTLIER) cc_final: 0.6938 (m-30) REVERT: j 199 ARG cc_start: 0.8140 (OUTLIER) cc_final: 0.7848 (mmt180) REVERT: k 199 ARG cc_start: 0.7929 (OUTLIER) cc_final: 0.6484 (mtp85) REVERT: m 199 ARG cc_start: 0.8029 (OUTLIER) cc_final: 0.6559 (mtp85) REVERT: m 229 ASP cc_start: 0.7527 (OUTLIER) cc_final: 0.6940 (m-30) REVERT: o 199 ARG cc_start: 0.7927 (OUTLIER) cc_final: 0.6489 (mtp85) REVERT: q 199 ARG cc_start: 0.8028 (OUTLIER) cc_final: 0.6559 (mtp85) REVERT: q 229 ASP cc_start: 0.7527 (OUTLIER) cc_final: 0.6937 (m-30) REVERT: s 199 ARG cc_start: 0.8126 (OUTLIER) cc_final: 0.7837 (mmt180) REVERT: t 253 GLN cc_start: 0.8297 (OUTLIER) cc_final: 0.8042 (tt0) REVERT: u 199 ARG cc_start: 0.8027 (OUTLIER) cc_final: 0.6557 (mtp85) REVERT: u 229 ASP cc_start: 0.7526 (OUTLIER) cc_final: 0.6940 (m-30) REVERT: x 191 GLU cc_start: 0.7201 (tt0) cc_final: 0.6963 (mt-10) REVERT: x 199 ARG cc_start: 0.7929 (OUTLIER) cc_final: 0.6484 (mtp85) outliers start: 332 outliers final: 201 residues processed: 854 average time/residue: 1.9041 time to fit residues: 2284.8655 Evaluate side-chains 833 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 254 poor density : 579 time to evaluate : 10.098 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 98 ASN Chi-restraints excluded: chain A residue 139 ILE Chi-restraints excluded: chain A residue 240 ASP Chi-restraints excluded: chain A residue 253 GLN Chi-restraints excluded: chain B residue 38 ASP Chi-restraints excluded: chain B residue 98 ASN Chi-restraints excluded: chain B residue 139 ILE Chi-restraints excluded: chain B residue 199 ARG Chi-restraints excluded: chain B residue 229 ASP Chi-restraints excluded: chain B residue 254 VAL Chi-restraints excluded: chain C residue 98 ASN Chi-restraints excluded: chain C residue 139 ILE Chi-restraints excluded: chain C residue 159 PHE Chi-restraints excluded: chain C residue 160 SER Chi-restraints excluded: chain C residue 205 THR Chi-restraints excluded: chain C residue 240 ASP Chi-restraints excluded: chain D residue 98 ASN Chi-restraints excluded: chain D residue 139 ILE Chi-restraints excluded: chain D residue 199 ARG Chi-restraints excluded: chain E residue 98 ASN Chi-restraints excluded: chain E residue 139 ILE Chi-restraints excluded: chain E residue 199 ARG Chi-restraints excluded: chain F residue 98 ASN Chi-restraints excluded: chain F residue 139 ILE Chi-restraints excluded: chain F residue 199 ARG Chi-restraints excluded: chain G residue 98 ASN Chi-restraints excluded: chain G residue 139 ILE Chi-restraints excluded: chain G residue 240 ASP Chi-restraints excluded: chain H residue 38 ASP Chi-restraints excluded: chain H residue 98 ASN Chi-restraints excluded: chain H residue 139 ILE Chi-restraints excluded: chain H residue 199 ARG Chi-restraints excluded: chain H residue 229 ASP Chi-restraints excluded: chain H residue 254 VAL Chi-restraints excluded: chain I residue 98 ASN Chi-restraints excluded: chain I residue 139 ILE Chi-restraints excluded: chain I residue 159 PHE Chi-restraints excluded: chain I residue 160 SER Chi-restraints excluded: chain I residue 205 THR Chi-restraints excluded: chain I residue 240 ASP Chi-restraints excluded: chain J residue 98 ASN Chi-restraints excluded: chain J residue 139 ILE Chi-restraints excluded: chain J residue 199 ARG Chi-restraints excluded: chain K residue 98 ASN Chi-restraints excluded: chain K residue 139 ILE Chi-restraints excluded: chain L residue 98 ASN Chi-restraints excluded: chain L residue 139 ILE Chi-restraints excluded: chain L residue 199 ARG Chi-restraints excluded: chain M residue 98 ASN Chi-restraints excluded: chain M residue 139 ILE Chi-restraints excluded: chain M residue 240 ASP Chi-restraints excluded: chain M residue 253 GLN Chi-restraints excluded: chain N residue 38 ASP Chi-restraints excluded: chain N residue 98 ASN Chi-restraints excluded: chain N residue 139 ILE Chi-restraints excluded: chain N residue 199 ARG Chi-restraints excluded: chain N residue 229 ASP Chi-restraints excluded: chain N residue 254 VAL Chi-restraints excluded: chain O residue 98 ASN Chi-restraints excluded: chain O residue 139 ILE Chi-restraints excluded: chain O residue 159 PHE Chi-restraints excluded: chain O residue 160 SER Chi-restraints excluded: chain O residue 205 THR Chi-restraints excluded: chain O residue 240 ASP Chi-restraints excluded: chain P residue 98 ASN Chi-restraints excluded: chain P residue 139 ILE Chi-restraints excluded: chain P residue 159 PHE Chi-restraints excluded: chain P residue 160 SER Chi-restraints excluded: chain P residue 205 THR Chi-restraints excluded: chain P residue 240 ASP Chi-restraints excluded: chain Q residue 98 ASN Chi-restraints excluded: chain Q residue 139 ILE Chi-restraints excluded: chain Q residue 199 ARG Chi-restraints excluded: chain R residue 98 ASN Chi-restraints excluded: chain R residue 139 ILE Chi-restraints excluded: chain R residue 199 ARG Chi-restraints excluded: chain S residue 98 ASN Chi-restraints excluded: chain S residue 139 ILE Chi-restraints excluded: chain S residue 240 ASP Chi-restraints excluded: chain T residue 38 ASP Chi-restraints excluded: chain T residue 98 ASN Chi-restraints excluded: chain T residue 139 ILE Chi-restraints excluded: chain T residue 199 ARG Chi-restraints excluded: chain T residue 229 ASP Chi-restraints excluded: chain T residue 254 VAL Chi-restraints excluded: chain U residue 98 ASN Chi-restraints excluded: chain U residue 139 ILE Chi-restraints excluded: chain U residue 199 ARG Chi-restraints excluded: chain V residue 98 ASN Chi-restraints excluded: chain V residue 139 ILE Chi-restraints excluded: chain V residue 240 ASP Chi-restraints excluded: chain V residue 253 GLN Chi-restraints excluded: chain W residue 38 ASP Chi-restraints excluded: chain W residue 98 ASN Chi-restraints excluded: chain W residue 139 ILE Chi-restraints excluded: chain W residue 199 ARG Chi-restraints excluded: chain W residue 229 ASP Chi-restraints excluded: chain W residue 254 VAL Chi-restraints excluded: chain X residue 98 ASN Chi-restraints excluded: chain X residue 139 ILE Chi-restraints excluded: chain X residue 159 PHE Chi-restraints excluded: chain X residue 160 SER Chi-restraints excluded: chain X residue 205 THR Chi-restraints excluded: chain Y residue 98 ASN Chi-restraints excluded: chain Y residue 139 ILE Chi-restraints excluded: chain Y residue 199 ARG Chi-restraints excluded: chain Z residue 98 ASN Chi-restraints excluded: chain Z residue 139 ILE Chi-restraints excluded: chain Z residue 240 ASP Chi-restraints excluded: chain Z residue 253 GLN Chi-restraints excluded: chain 0 residue 38 ASP Chi-restraints excluded: chain 0 residue 98 ASN Chi-restraints excluded: chain 0 residue 139 ILE Chi-restraints excluded: chain 0 residue 199 ARG Chi-restraints excluded: chain 0 residue 229 ASP Chi-restraints excluded: chain 0 residue 254 VAL Chi-restraints excluded: chain 1 residue 98 ASN Chi-restraints excluded: chain 1 residue 139 ILE Chi-restraints excluded: chain 1 residue 159 PHE Chi-restraints excluded: chain 1 residue 205 THR Chi-restraints excluded: chain 1 residue 240 ASP Chi-restraints excluded: chain 2 residue 98 ASN Chi-restraints excluded: chain 2 residue 139 ILE Chi-restraints excluded: chain 2 residue 199 ARG Chi-restraints excluded: chain 3 residue 98 ASN Chi-restraints excluded: chain 3 residue 139 ILE Chi-restraints excluded: chain 3 residue 199 ARG Chi-restraints excluded: chain 4 residue 98 ASN Chi-restraints excluded: chain 4 residue 139 ILE Chi-restraints excluded: chain 4 residue 159 PHE Chi-restraints excluded: chain 4 residue 160 SER Chi-restraints excluded: chain 4 residue 205 THR Chi-restraints excluded: chain 4 residue 240 ASP Chi-restraints excluded: chain 5 residue 98 ASN Chi-restraints excluded: chain 5 residue 139 ILE Chi-restraints excluded: chain 5 residue 199 ARG Chi-restraints excluded: chain 6 residue 98 ASN Chi-restraints excluded: chain 6 residue 139 ILE Chi-restraints excluded: chain 6 residue 199 ARG Chi-restraints excluded: chain 7 residue 98 ASN Chi-restraints excluded: chain 7 residue 139 ILE Chi-restraints excluded: chain 7 residue 240 ASP Chi-restraints excluded: chain 8 residue 38 ASP Chi-restraints excluded: chain 8 residue 98 ASN Chi-restraints excluded: chain 8 residue 139 ILE Chi-restraints excluded: chain 8 residue 199 ARG Chi-restraints excluded: chain 8 residue 229 ASP Chi-restraints excluded: chain 8 residue 254 VAL Chi-restraints excluded: chain 9 residue 98 ASN Chi-restraints excluded: chain 9 residue 199 ARG Chi-restraints excluded: chain a residue 98 ASN Chi-restraints excluded: chain a residue 139 ILE Chi-restraints excluded: chain a residue 199 ARG Chi-restraints excluded: chain b residue 98 ASN Chi-restraints excluded: chain b residue 139 ILE Chi-restraints excluded: chain b residue 240 ASP Chi-restraints excluded: chain b residue 253 GLN Chi-restraints excluded: chain c residue 38 ASP Chi-restraints excluded: chain c residue 98 ASN Chi-restraints excluded: chain c residue 139 ILE Chi-restraints excluded: chain c residue 199 ARG Chi-restraints excluded: chain c residue 229 ASP Chi-restraints excluded: chain c residue 254 VAL Chi-restraints excluded: chain d residue 98 ASN Chi-restraints excluded: chain d residue 139 ILE Chi-restraints excluded: chain d residue 159 PHE Chi-restraints excluded: chain d residue 160 SER Chi-restraints excluded: chain d residue 205 THR Chi-restraints excluded: chain d residue 240 ASP Chi-restraints excluded: chain e residue 98 ASN Chi-restraints excluded: chain e residue 139 ILE Chi-restraints excluded: chain e residue 159 PHE Chi-restraints excluded: chain e residue 160 SER Chi-restraints excluded: chain e residue 205 THR Chi-restraints excluded: chain e residue 240 ASP Chi-restraints excluded: chain f residue 98 ASN Chi-restraints excluded: chain f residue 139 ILE Chi-restraints excluded: chain f residue 199 ARG Chi-restraints excluded: chain g residue 98 ASN Chi-restraints excluded: chain g residue 139 ILE Chi-restraints excluded: chain g residue 199 ARG Chi-restraints excluded: chain h residue 98 ASN Chi-restraints excluded: chain h residue 139 ILE Chi-restraints excluded: chain h residue 240 ASP Chi-restraints excluded: chain h residue 253 GLN Chi-restraints excluded: chain i residue 38 ASP Chi-restraints excluded: chain i residue 98 ASN Chi-restraints excluded: chain i residue 139 ILE Chi-restraints excluded: chain i residue 199 ARG Chi-restraints excluded: chain i residue 229 ASP Chi-restraints excluded: chain i residue 254 VAL Chi-restraints excluded: chain j residue 98 ASN Chi-restraints excluded: chain j residue 139 ILE Chi-restraints excluded: chain j residue 199 ARG Chi-restraints excluded: chain k residue 98 ASN Chi-restraints excluded: chain k residue 139 ILE Chi-restraints excluded: chain k residue 199 ARG Chi-restraints excluded: chain l residue 98 ASN Chi-restraints excluded: chain l residue 139 ILE Chi-restraints excluded: chain l residue 240 ASP Chi-restraints excluded: chain m residue 38 ASP Chi-restraints excluded: chain m residue 98 ASN Chi-restraints excluded: chain m residue 139 ILE Chi-restraints excluded: chain m residue 199 ARG Chi-restraints excluded: chain m residue 229 ASP Chi-restraints excluded: chain m residue 254 VAL Chi-restraints excluded: chain n residue 98 ASN Chi-restraints excluded: chain n residue 139 ILE Chi-restraints excluded: chain n residue 159 PHE Chi-restraints excluded: chain n residue 160 SER Chi-restraints excluded: chain n residue 205 THR Chi-restraints excluded: chain n residue 240 ASP Chi-restraints excluded: chain o residue 98 ASN Chi-restraints excluded: chain o residue 139 ILE Chi-restraints excluded: chain o residue 199 ARG Chi-restraints excluded: chain p residue 98 ASN Chi-restraints excluded: chain p residue 139 ILE Chi-restraints excluded: chain p residue 240 ASP Chi-restraints excluded: chain q residue 38 ASP Chi-restraints excluded: chain q residue 98 ASN Chi-restraints excluded: chain q residue 139 ILE Chi-restraints excluded: chain q residue 199 ARG Chi-restraints excluded: chain q residue 229 ASP Chi-restraints excluded: chain q residue 254 VAL Chi-restraints excluded: chain r residue 98 ASN Chi-restraints excluded: chain r residue 139 ILE Chi-restraints excluded: chain r residue 159 PHE Chi-restraints excluded: chain r residue 160 SER Chi-restraints excluded: chain r residue 205 THR Chi-restraints excluded: chain r residue 240 ASP Chi-restraints excluded: chain s residue 98 ASN Chi-restraints excluded: chain s residue 139 ILE Chi-restraints excluded: chain s residue 199 ARG Chi-restraints excluded: chain t residue 98 ASN Chi-restraints excluded: chain t residue 139 ILE Chi-restraints excluded: chain t residue 240 ASP Chi-restraints excluded: chain t residue 253 GLN Chi-restraints excluded: chain u residue 38 ASP Chi-restraints excluded: chain u residue 98 ASN Chi-restraints excluded: chain u residue 139 ILE Chi-restraints excluded: chain u residue 199 ARG Chi-restraints excluded: chain u residue 229 ASP Chi-restraints excluded: chain u residue 254 VAL Chi-restraints excluded: chain v residue 98 ASN Chi-restraints excluded: chain v residue 139 ILE Chi-restraints excluded: chain v residue 159 PHE Chi-restraints excluded: chain v residue 160 SER Chi-restraints excluded: chain v residue 205 THR Chi-restraints excluded: chain v residue 240 ASP Chi-restraints excluded: chain w residue 98 ASN Chi-restraints excluded: chain w residue 139 ILE Chi-restraints excluded: chain x residue 98 ASN Chi-restraints excluded: chain x residue 139 ILE Chi-restraints excluded: chain x residue 199 ARG Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 507 optimal weight: 0.3980 chunk 1357 optimal weight: 9.9990 chunk 298 optimal weight: 5.9990 chunk 885 optimal weight: 2.9990 chunk 372 optimal weight: 0.0670 chunk 1509 optimal weight: 1.9990 chunk 1252 optimal weight: 9.9990 chunk 698 optimal weight: 0.0970 chunk 125 optimal weight: 0.0270 chunk 499 optimal weight: 6.9990 chunk 792 optimal weight: 9.9990 overall best weight: 0.5176 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** C 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 256 ASN D 17 GLN ** I 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 256 ASN J 17 GLN K 17 GLN ** O 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 256 ASN P 256 ASN Q 17 GLN X 256 ASN Y 17 GLN 1 256 ASN 2 17 GLN 4 256 ASN 5 17 GLN 9 17 GLN d 256 ASN e 228 GLN e 256 ASN f 17 GLN j 17 GLN ** n 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 256 ASN ** r 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 256 ASN s 17 GLN ** v 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 256 ASN w 17 GLN Total number of N/Q/H flips: 25 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8140 moved from start: 0.1946 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.028 133380 Z= 0.124 Angle : 0.445 5.162 180180 Z= 0.245 Chirality : 0.042 0.137 19800 Planarity : 0.004 0.050 22980 Dihedral : 4.269 21.945 18394 Min Nonbonded Distance : 2.336 Molprobity Statistics. All-atom Clashscore : 2.06 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.67 % Favored : 97.33 % Rotamer: Outliers : 2.17 % Allowed : 15.71 % Favored : 82.13 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.96 (0.06), residues: 15780 helix: 0.79 (0.07), residues: 5160 sheet: 0.20 (0.10), residues: 3120 loop : -2.11 (0.06), residues: 7500 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.001 TRP d 16 HIS 0.001 0.000 HIS U 50 PHE 0.009 0.001 PHE b 3 TYR 0.004 0.001 TYR I 188 ARG 0.006 0.000 ARG Y 187 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1037 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 304 poor density : 733 time to evaluate : 11.327 Fit side-chains REVERT: A 98 ASN cc_start: 0.7703 (OUTLIER) cc_final: 0.7334 (p0) REVERT: B 199 ARG cc_start: 0.7700 (OUTLIER) cc_final: 0.6154 (mtp85) REVERT: E 199 ARG cc_start: 0.7789 (OUTLIER) cc_final: 0.6277 (mtp85) REVERT: F 199 ARG cc_start: 0.7792 (OUTLIER) cc_final: 0.6280 (mtp85) REVERT: G 98 ASN cc_start: 0.7701 (OUTLIER) cc_final: 0.7335 (p0) REVERT: H 199 ARG cc_start: 0.7695 (OUTLIER) cc_final: 0.6152 (mtp85) REVERT: K 199 ARG cc_start: 0.7862 (OUTLIER) cc_final: 0.7640 (mmt180) REVERT: L 199 ARG cc_start: 0.7795 (OUTLIER) cc_final: 0.6342 (mtp85) REVERT: M 98 ASN cc_start: 0.7703 (OUTLIER) cc_final: 0.7334 (p0) REVERT: N 199 ARG cc_start: 0.7698 (OUTLIER) cc_final: 0.6154 (mtp85) REVERT: R 199 ARG cc_start: 0.7790 (OUTLIER) cc_final: 0.6279 (mtp85) REVERT: S 98 ASN cc_start: 0.7705 (OUTLIER) cc_final: 0.7335 (p0) REVERT: T 199 ARG cc_start: 0.7697 (OUTLIER) cc_final: 0.6154 (mtp85) REVERT: U 199 ARG cc_start: 0.7791 (OUTLIER) cc_final: 0.6340 (mtp85) REVERT: V 98 ASN cc_start: 0.7705 (OUTLIER) cc_final: 0.7336 (p0) REVERT: W 199 ARG cc_start: 0.7701 (OUTLIER) cc_final: 0.6157 (mtp85) REVERT: Z 98 ASN cc_start: 0.7702 (OUTLIER) cc_final: 0.7335 (p0) REVERT: 0 199 ARG cc_start: 0.7695 (OUTLIER) cc_final: 0.6153 (mtp85) REVERT: 3 199 ARG cc_start: 0.7792 (OUTLIER) cc_final: 0.6281 (mtp85) REVERT: 5 199 ARG cc_start: 0.7848 (OUTLIER) cc_final: 0.7635 (mmt180) REVERT: 6 199 ARG cc_start: 0.7792 (OUTLIER) cc_final: 0.6343 (mtp85) REVERT: 7 98 ASN cc_start: 0.7701 (OUTLIER) cc_final: 0.7333 (p0) REVERT: 8 199 ARG cc_start: 0.7696 (OUTLIER) cc_final: 0.6154 (mtp85) REVERT: a 199 ARG cc_start: 0.7791 (OUTLIER) cc_final: 0.6344 (mtp85) REVERT: b 98 ASN cc_start: 0.7703 (OUTLIER) cc_final: 0.7336 (p0) REVERT: c 199 ARG cc_start: 0.7697 (OUTLIER) cc_final: 0.6155 (mtp85) REVERT: g 199 ARG cc_start: 0.7792 (OUTLIER) cc_final: 0.6281 (mtp85) REVERT: h 98 ASN cc_start: 0.7700 (OUTLIER) cc_final: 0.7332 (p0) REVERT: i 199 ARG cc_start: 0.7696 (OUTLIER) cc_final: 0.6150 (mtp85) REVERT: k 199 ARG cc_start: 0.7791 (OUTLIER) cc_final: 0.6281 (mtp85) REVERT: l 98 ASN cc_start: 0.7704 (OUTLIER) cc_final: 0.7335 (p0) REVERT: m 199 ARG cc_start: 0.7696 (OUTLIER) cc_final: 0.6154 (mtp85) REVERT: o 199 ARG cc_start: 0.7775 (OUTLIER) cc_final: 0.6331 (mtp85) REVERT: p 98 ASN cc_start: 0.7702 (OUTLIER) cc_final: 0.7334 (p0) REVERT: q 199 ARG cc_start: 0.7697 (OUTLIER) cc_final: 0.6153 (mtp85) REVERT: t 98 ASN cc_start: 0.7701 (OUTLIER) cc_final: 0.7333 (p0) REVERT: u 199 ARG cc_start: 0.7695 (OUTLIER) cc_final: 0.6151 (mtp85) REVERT: w 199 ARG cc_start: 0.7858 (OUTLIER) cc_final: 0.7644 (mmt180) REVERT: x 199 ARG cc_start: 0.7808 (OUTLIER) cc_final: 0.6294 (mtp85) outliers start: 304 outliers final: 121 residues processed: 1009 average time/residue: 1.9627 time to fit residues: 2762.9949 Evaluate side-chains 721 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 160 poor density : 561 time to evaluate : 11.398 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 98 ASN Chi-restraints excluded: chain B residue 159 PHE Chi-restraints excluded: chain B residue 199 ARG Chi-restraints excluded: chain B residue 254 VAL 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 160 SER Chi-restraints excluded: chain D residue 83 THR Chi-restraints excluded: chain D residue 92 LEU Chi-restraints excluded: chain D residue 98 ASN Chi-restraints excluded: chain D residue 160 SER Chi-restraints excluded: chain E residue 159 PHE Chi-restraints excluded: chain E residue 199 ARG Chi-restraints excluded: chain F residue 199 ARG Chi-restraints excluded: chain G residue 98 ASN Chi-restraints excluded: chain G residue 144 THR Chi-restraints excluded: chain H residue 159 PHE Chi-restraints excluded: chain H residue 199 ARG Chi-restraints excluded: chain H residue 254 VAL 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 160 SER Chi-restraints excluded: chain J residue 83 THR Chi-restraints excluded: chain J residue 92 LEU Chi-restraints excluded: chain J residue 98 ASN Chi-restraints excluded: chain J residue 160 SER Chi-restraints excluded: chain K residue 83 THR Chi-restraints excluded: chain K residue 92 LEU Chi-restraints excluded: chain K residue 98 ASN Chi-restraints excluded: chain K residue 160 SER Chi-restraints excluded: chain K residue 199 ARG Chi-restraints excluded: chain L residue 199 ARG Chi-restraints excluded: chain M residue 98 ASN Chi-restraints excluded: chain N residue 159 PHE Chi-restraints excluded: chain N residue 199 ARG Chi-restraints excluded: chain N residue 254 VAL 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 160 SER 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 160 SER Chi-restraints excluded: chain Q residue 83 THR Chi-restraints excluded: chain Q residue 92 LEU Chi-restraints excluded: chain Q residue 98 ASN Chi-restraints excluded: chain Q residue 160 SER Chi-restraints excluded: chain R residue 199 ARG Chi-restraints excluded: chain S residue 98 ASN Chi-restraints excluded: chain T residue 159 PHE Chi-restraints excluded: chain T residue 199 ARG Chi-restraints excluded: chain T residue 254 VAL Chi-restraints excluded: chain U residue 199 ARG Chi-restraints excluded: chain V residue 98 ASN Chi-restraints excluded: chain W residue 159 PHE Chi-restraints excluded: chain W residue 199 ARG Chi-restraints excluded: chain W residue 254 VAL 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 160 SER Chi-restraints excluded: chain Y residue 83 THR Chi-restraints excluded: chain Y residue 92 LEU Chi-restraints excluded: chain Y residue 98 ASN Chi-restraints excluded: chain Y residue 160 SER Chi-restraints excluded: chain Z residue 98 ASN Chi-restraints excluded: chain 0 residue 159 PHE Chi-restraints excluded: chain 0 residue 199 ARG Chi-restraints excluded: chain 0 residue 254 VAL 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 2 residue 83 THR Chi-restraints excluded: chain 2 residue 92 LEU Chi-restraints excluded: chain 2 residue 98 ASN Chi-restraints excluded: chain 2 residue 160 SER Chi-restraints excluded: chain 3 residue 199 ARG 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 160 SER Chi-restraints excluded: chain 5 residue 83 THR Chi-restraints excluded: chain 5 residue 92 LEU Chi-restraints excluded: chain 5 residue 98 ASN Chi-restraints excluded: chain 5 residue 160 SER Chi-restraints excluded: chain 5 residue 199 ARG Chi-restraints excluded: chain 6 residue 199 ARG Chi-restraints excluded: chain 7 residue 98 ASN Chi-restraints excluded: chain 8 residue 159 PHE Chi-restraints excluded: chain 8 residue 199 ARG Chi-restraints excluded: chain 8 residue 254 VAL Chi-restraints excluded: chain 9 residue 83 THR Chi-restraints excluded: chain 9 residue 92 LEU Chi-restraints excluded: chain 9 residue 98 ASN Chi-restraints excluded: chain 9 residue 160 SER Chi-restraints excluded: chain a residue 199 ARG Chi-restraints excluded: chain b residue 98 ASN Chi-restraints excluded: chain b residue 144 THR Chi-restraints excluded: chain c residue 159 PHE Chi-restraints excluded: chain c residue 199 ARG Chi-restraints excluded: chain c residue 254 VAL 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 160 SER 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 160 SER Chi-restraints excluded: chain f residue 83 THR Chi-restraints excluded: chain f residue 92 LEU Chi-restraints excluded: chain f residue 98 ASN Chi-restraints excluded: chain f residue 160 SER Chi-restraints excluded: chain g residue 199 ARG Chi-restraints excluded: chain h residue 98 ASN Chi-restraints excluded: chain i residue 159 PHE Chi-restraints excluded: chain i residue 199 ARG Chi-restraints excluded: chain i residue 254 VAL Chi-restraints excluded: chain j residue 83 THR Chi-restraints excluded: chain j residue 92 LEU Chi-restraints excluded: chain j residue 98 ASN Chi-restraints excluded: chain j residue 160 SER Chi-restraints excluded: chain k residue 199 ARG Chi-restraints excluded: chain l residue 98 ASN Chi-restraints excluded: chain m residue 159 PHE Chi-restraints excluded: chain m residue 199 ARG Chi-restraints excluded: chain m residue 254 VAL Chi-restraints excluded: chain n residue 156 LEU Chi-restraints excluded: chain n residue 159 PHE Chi-restraints excluded: chain n residue 160 SER Chi-restraints excluded: chain o residue 199 ARG Chi-restraints excluded: chain p residue 98 ASN Chi-restraints excluded: chain q residue 159 PHE Chi-restraints excluded: chain q residue 199 ARG Chi-restraints excluded: chain q residue 254 VAL 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 160 SER Chi-restraints excluded: chain s residue 83 THR Chi-restraints excluded: chain s residue 92 LEU Chi-restraints excluded: chain s residue 98 ASN Chi-restraints excluded: chain s residue 160 SER Chi-restraints excluded: chain t residue 98 ASN Chi-restraints excluded: chain u residue 159 PHE Chi-restraints excluded: chain u residue 199 ARG Chi-restraints excluded: chain u residue 254 VAL 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 160 SER Chi-restraints excluded: chain w residue 83 THR Chi-restraints excluded: chain w residue 92 LEU Chi-restraints excluded: chain w residue 98 ASN Chi-restraints excluded: chain w residue 160 SER Chi-restraints excluded: chain w residue 199 ARG Chi-restraints excluded: chain x residue 199 ARG Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1560 random chunks: chunk 1455 optimal weight: 6.9990 chunk 170 optimal weight: 8.9990 chunk 859 optimal weight: 0.9980 chunk 1102 optimal weight: 7.9990 chunk 854 optimal weight: 6.9990 chunk 1270 optimal weight: 10.0000 chunk 842 optimal weight: 7.9990 chunk 1503 optimal weight: 2.9990 chunk 940 optimal weight: 9.9990 chunk 916 optimal weight: 0.9980 chunk 694 optimal weight: 6.9990 overall best weight: 3.7986 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** C 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 253 GLN C 256 ASN D 17 GLN ** I 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 253 GLN I 256 ASN J 17 GLN K 17 GLN ** O 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 253 GLN O 256 ASN P 253 GLN P 256 ASN Q 17 GLN X 253 GLN X 256 ASN Y 17 GLN 1 253 GLN 1 256 ASN 2 17 GLN 4 253 GLN 4 256 ASN 5 17 GLN 9 17 GLN d 253 GLN d 256 ASN e 253 GLN e 256 ASN f 17 GLN j 17 GLN ** n 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 253 GLN n 256 ASN ** r 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 253 GLN r 256 ASN s 17 GLN ** v 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 253 GLN v 256 ASN w 17 GLN Total number of N/Q/H flips: 36 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8323 moved from start: 0.1299 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.023 133380 Z= 0.274 Angle : 0.682 6.476 180180 Z= 0.367 Chirality : 0.047 0.163 19800 Planarity : 0.005 0.054 22980 Dihedral : 5.202 28.260 18324 Min Nonbonded Distance : 2.328 Molprobity Statistics. All-atom Clashscore : 1.68 Ramachandran Plot: Outliers : 0.00 % Allowed : 7.00 % Favored : 93.00 % Rotamer: Outliers : 2.26 % Allowed : 15.70 % Favored : 82.04 % 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: -1.02 (0.06), residues: 15780 helix: 1.15 (0.07), residues: 4620 sheet: -0.25 (0.10), residues: 2820 loop : -1.99 (0.06), residues: 8340 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.005 0.001 TRP l 45 HIS 0.004 0.002 HIS L 50 PHE 0.014 0.002 PHE 1 114 TYR 0.008 0.001 TYR b 234 ARG 0.007 0.001 ARG A 187 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 898 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 318 poor density : 580 time to evaluate : 11.439 Fit side-chains REVERT: B 199 ARG cc_start: 0.8058 (OUTLIER) cc_final: 0.6689 (mtp85) REVERT: B 229 ASP cc_start: 0.7605 (OUTLIER) cc_final: 0.6997 (m-30) REVERT: C 199 ARG cc_start: 0.8235 (OUTLIER) cc_final: 0.6885 (mtp85) REVERT: C 210 GLU cc_start: 0.6982 (tt0) cc_final: 0.6595 (tp30) REVERT: D 199 ARG cc_start: 0.8162 (OUTLIER) cc_final: 0.7867 (mmt180) REVERT: E 191 GLU cc_start: 0.7229 (tt0) cc_final: 0.6981 (mt-10) REVERT: E 199 ARG cc_start: 0.8023 (OUTLIER) cc_final: 0.6555 (mtp85) REVERT: F 199 ARG cc_start: 0.8026 (OUTLIER) cc_final: 0.6557 (mtp85) REVERT: H 199 ARG cc_start: 0.8055 (OUTLIER) cc_final: 0.6686 (mtp85) REVERT: H 229 ASP cc_start: 0.7606 (OUTLIER) cc_final: 0.6998 (m-30) REVERT: I 199 ARG cc_start: 0.8223 (OUTLIER) cc_final: 0.6870 (mtp85) REVERT: J 199 ARG cc_start: 0.8165 (OUTLIER) cc_final: 0.7881 (mmt180) REVERT: K 199 ARG cc_start: 0.8157 (OUTLIER) cc_final: 0.7870 (mmt180) REVERT: L 199 ARG cc_start: 0.8034 (OUTLIER) cc_final: 0.6562 (mtp85) REVERT: N 199 ARG cc_start: 0.8059 (OUTLIER) cc_final: 0.6679 (mtp85) REVERT: N 229 ASP cc_start: 0.7603 (OUTLIER) cc_final: 0.6995 (m-30) REVERT: O 199 ARG cc_start: 0.8232 (OUTLIER) cc_final: 0.6884 (mtp85) REVERT: O 210 GLU cc_start: 0.6986 (tt0) cc_final: 0.6678 (tp30) REVERT: P 199 ARG cc_start: 0.8237 (OUTLIER) cc_final: 0.6888 (mtp85) REVERT: Q 199 ARG cc_start: 0.8162 (OUTLIER) cc_final: 0.7878 (mmt180) REVERT: R 199 ARG cc_start: 0.8023 (OUTLIER) cc_final: 0.6556 (mtp85) REVERT: T 199 ARG cc_start: 0.8059 (OUTLIER) cc_final: 0.6691 (mtp85) REVERT: T 229 ASP cc_start: 0.7600 (OUTLIER) cc_final: 0.6992 (m-30) REVERT: U 199 ARG cc_start: 0.8035 (OUTLIER) cc_final: 0.6563 (mtp85) REVERT: W 199 ARG cc_start: 0.8058 (OUTLIER) cc_final: 0.6689 (mtp85) REVERT: W 229 ASP cc_start: 0.7605 (OUTLIER) cc_final: 0.6998 (m-30) REVERT: X 199 ARG cc_start: 0.8221 (OUTLIER) cc_final: 0.6869 (mtp85) REVERT: X 210 GLU cc_start: 0.6984 (tt0) cc_final: 0.6677 (tp30) REVERT: Y 199 ARG cc_start: 0.8166 (OUTLIER) cc_final: 0.7881 (mmt180) REVERT: 0 199 ARG cc_start: 0.8065 (OUTLIER) cc_final: 0.6702 (mtp85) REVERT: 0 229 ASP cc_start: 0.7601 (OUTLIER) cc_final: 0.6993 (m-30) REVERT: 1 199 ARG cc_start: 0.8221 (OUTLIER) cc_final: 0.6872 (mtp85) REVERT: 1 210 GLU cc_start: 0.6988 (tt0) cc_final: 0.6677 (tp30) REVERT: 2 199 ARG cc_start: 0.8163 (OUTLIER) cc_final: 0.7883 (mmt180) REVERT: 3 199 ARG cc_start: 0.8023 (OUTLIER) cc_final: 0.6559 (mtp85) REVERT: 4 199 ARG cc_start: 0.8224 (OUTLIER) cc_final: 0.6871 (mtp85) REVERT: 5 199 ARG cc_start: 0.8160 (OUTLIER) cc_final: 0.7867 (mmt180) REVERT: 6 199 ARG cc_start: 0.8034 (OUTLIER) cc_final: 0.6565 (mtp85) REVERT: 8 199 ARG cc_start: 0.8055 (OUTLIER) cc_final: 0.6689 (mtp85) REVERT: 8 229 ASP cc_start: 0.7606 (OUTLIER) cc_final: 0.6998 (m-30) REVERT: 9 199 ARG cc_start: 0.8166 (OUTLIER) cc_final: 0.7880 (mmt180) REVERT: a 199 ARG cc_start: 0.8033 (OUTLIER) cc_final: 0.6566 (mtp85) REVERT: c 199 ARG cc_start: 0.8056 (OUTLIER) cc_final: 0.6688 (mtp85) REVERT: c 229 ASP cc_start: 0.7601 (OUTLIER) cc_final: 0.6991 (m-30) REVERT: d 199 ARG cc_start: 0.8221 (OUTLIER) cc_final: 0.6871 (mtp85) REVERT: d 210 GLU cc_start: 0.6984 (tt0) cc_final: 0.6677 (tp30) REVERT: e 199 ARG cc_start: 0.8233 (OUTLIER) cc_final: 0.6885 (mtp85) REVERT: e 210 GLU cc_start: 0.6989 (tt0) cc_final: 0.6677 (tp30) REVERT: f 199 ARG cc_start: 0.8162 (OUTLIER) cc_final: 0.7881 (mmt180) REVERT: g 199 ARG cc_start: 0.8023 (OUTLIER) cc_final: 0.6558 (mtp85) REVERT: i 199 ARG cc_start: 0.8063 (OUTLIER) cc_final: 0.6686 (mtp85) REVERT: i 229 ASP cc_start: 0.7602 (OUTLIER) cc_final: 0.6991 (m-30) REVERT: j 199 ARG cc_start: 0.8166 (OUTLIER) cc_final: 0.7879 (mmt180) REVERT: k 199 ARG cc_start: 0.8027 (OUTLIER) cc_final: 0.6560 (mtp85) REVERT: m 199 ARG cc_start: 0.8064 (OUTLIER) cc_final: 0.6693 (mtp85) REVERT: m 229 ASP cc_start: 0.7604 (OUTLIER) cc_final: 0.6996 (m-30) REVERT: n 199 ARG cc_start: 0.8237 (OUTLIER) cc_final: 0.6886 (mtp85) REVERT: n 210 GLU cc_start: 0.6986 (tt0) cc_final: 0.6676 (tp30) REVERT: o 199 ARG cc_start: 0.8029 (OUTLIER) cc_final: 0.6564 (mtp85) REVERT: q 199 ARG cc_start: 0.8055 (OUTLIER) cc_final: 0.6676 (mtp85) REVERT: q 229 ASP cc_start: 0.7600 (OUTLIER) cc_final: 0.6990 (m-30) REVERT: r 199 ARG cc_start: 0.8221 (OUTLIER) cc_final: 0.6869 (mtp85) REVERT: s 199 ARG cc_start: 0.8161 (OUTLIER) cc_final: 0.7878 (mmt180) REVERT: u 199 ARG cc_start: 0.8056 (OUTLIER) cc_final: 0.6681 (mtp85) REVERT: u 229 ASP cc_start: 0.7604 (OUTLIER) cc_final: 0.6995 (m-30) REVERT: w 199 ARG cc_start: 0.8156 (OUTLIER) cc_final: 0.7872 (mmt180) REVERT: x 199 ARG cc_start: 0.8036 (OUTLIER) cc_final: 0.6566 (mtp85) outliers start: 318 outliers final: 176 residues processed: 817 average time/residue: 2.0805 time to fit residues: 2337.0951 Evaluate side-chains 771 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 235 poor density : 536 time to evaluate : 11.279 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 98 ASN Chi-restraints excluded: chain A residue 139 ILE Chi-restraints excluded: chain A residue 205 THR Chi-restraints excluded: chain A residue 254 VAL Chi-restraints excluded: chain B residue 199 ARG Chi-restraints excluded: chain B residue 229 ASP Chi-restraints excluded: chain B residue 254 VAL Chi-restraints excluded: chain C residue 98 ASN Chi-restraints excluded: chain C residue 160 SER Chi-restraints excluded: chain C residue 199 ARG Chi-restraints excluded: chain C residue 254 VAL Chi-restraints excluded: chain D residue 83 THR Chi-restraints excluded: chain D residue 98 ASN Chi-restraints excluded: chain D residue 199 ARG Chi-restraints excluded: chain D residue 205 THR Chi-restraints excluded: chain D residue 254 VAL Chi-restraints excluded: chain E residue 98 ASN Chi-restraints excluded: chain E residue 139 ILE Chi-restraints excluded: chain E residue 199 ARG Chi-restraints excluded: chain E residue 254 VAL Chi-restraints excluded: chain F residue 98 ASN Chi-restraints excluded: chain F residue 199 ARG Chi-restraints excluded: chain F residue 254 VAL Chi-restraints excluded: chain G residue 98 ASN Chi-restraints excluded: chain G residue 139 ILE Chi-restraints excluded: chain G residue 144 THR Chi-restraints excluded: chain G residue 205 THR Chi-restraints excluded: chain G residue 254 VAL Chi-restraints excluded: chain H residue 199 ARG Chi-restraints excluded: chain H residue 229 ASP Chi-restraints excluded: chain H residue 254 VAL Chi-restraints excluded: chain I residue 98 ASN Chi-restraints excluded: chain I residue 160 SER Chi-restraints excluded: chain I residue 199 ARG Chi-restraints excluded: chain I residue 254 VAL Chi-restraints excluded: chain J residue 83 THR Chi-restraints excluded: chain J residue 98 ASN Chi-restraints excluded: chain J residue 139 ILE Chi-restraints excluded: chain J residue 160 SER Chi-restraints excluded: chain J residue 199 ARG Chi-restraints excluded: chain J residue 254 VAL Chi-restraints excluded: chain K residue 83 THR Chi-restraints excluded: chain K residue 98 ASN Chi-restraints excluded: chain K residue 139 ILE Chi-restraints excluded: chain K residue 160 SER Chi-restraints excluded: chain K residue 199 ARG Chi-restraints excluded: chain K residue 254 VAL Chi-restraints excluded: chain L residue 98 ASN Chi-restraints excluded: chain L residue 199 ARG Chi-restraints excluded: chain L residue 254 VAL Chi-restraints excluded: chain M residue 98 ASN Chi-restraints excluded: chain M residue 139 ILE Chi-restraints excluded: chain M residue 205 THR Chi-restraints excluded: chain M residue 254 VAL Chi-restraints excluded: chain N residue 199 ARG Chi-restraints excluded: chain N residue 229 ASP Chi-restraints excluded: chain N residue 254 VAL Chi-restraints excluded: chain O residue 98 ASN Chi-restraints excluded: chain O residue 160 SER Chi-restraints excluded: chain O residue 199 ARG Chi-restraints excluded: chain O residue 254 VAL Chi-restraints excluded: chain P residue 98 ASN Chi-restraints excluded: chain P residue 160 SER Chi-restraints excluded: chain P residue 199 ARG Chi-restraints excluded: chain P residue 254 VAL Chi-restraints excluded: chain Q residue 83 THR Chi-restraints excluded: chain Q residue 98 ASN Chi-restraints excluded: chain Q residue 139 ILE Chi-restraints excluded: chain Q residue 199 ARG Chi-restraints excluded: chain Q residue 205 THR Chi-restraints excluded: chain Q residue 254 VAL Chi-restraints excluded: chain R residue 98 ASN Chi-restraints excluded: chain R residue 199 ARG Chi-restraints excluded: chain R residue 254 VAL Chi-restraints excluded: chain S residue 98 ASN Chi-restraints excluded: chain S residue 139 ILE Chi-restraints excluded: chain S residue 205 THR Chi-restraints excluded: chain S residue 254 VAL Chi-restraints excluded: chain T residue 199 ARG Chi-restraints excluded: chain T residue 229 ASP Chi-restraints excluded: chain T residue 254 VAL Chi-restraints excluded: chain U residue 98 ASN Chi-restraints excluded: chain U residue 199 ARG Chi-restraints excluded: chain U residue 254 VAL Chi-restraints excluded: chain V residue 98 ASN Chi-restraints excluded: chain V residue 139 ILE Chi-restraints excluded: chain V residue 205 THR Chi-restraints excluded: chain V residue 254 VAL Chi-restraints excluded: chain W residue 199 ARG Chi-restraints excluded: chain W residue 229 ASP Chi-restraints excluded: chain W residue 254 VAL Chi-restraints excluded: chain X residue 98 ASN Chi-restraints excluded: chain X residue 160 SER Chi-restraints excluded: chain X residue 199 ARG Chi-restraints excluded: chain X residue 254 VAL Chi-restraints excluded: chain Y residue 83 THR Chi-restraints excluded: chain Y residue 98 ASN Chi-restraints excluded: chain Y residue 199 ARG Chi-restraints excluded: chain Y residue 205 THR Chi-restraints excluded: chain Y residue 254 VAL Chi-restraints excluded: chain Z residue 98 ASN Chi-restraints excluded: chain Z residue 139 ILE Chi-restraints excluded: chain Z residue 205 THR Chi-restraints excluded: chain Z residue 254 VAL Chi-restraints excluded: chain 0 residue 199 ARG Chi-restraints excluded: chain 0 residue 229 ASP Chi-restraints excluded: chain 0 residue 254 VAL Chi-restraints excluded: chain 1 residue 98 ASN Chi-restraints excluded: chain 1 residue 159 PHE Chi-restraints excluded: chain 1 residue 199 ARG Chi-restraints excluded: chain 1 residue 254 VAL Chi-restraints excluded: chain 2 residue 83 THR Chi-restraints excluded: chain 2 residue 98 ASN Chi-restraints excluded: chain 2 residue 199 ARG Chi-restraints excluded: chain 2 residue 205 THR Chi-restraints excluded: chain 2 residue 254 VAL Chi-restraints excluded: chain 3 residue 98 ASN Chi-restraints excluded: chain 3 residue 199 ARG Chi-restraints excluded: chain 3 residue 254 VAL Chi-restraints excluded: chain 4 residue 98 ASN Chi-restraints excluded: chain 4 residue 160 SER Chi-restraints excluded: chain 4 residue 199 ARG Chi-restraints excluded: chain 4 residue 254 VAL Chi-restraints excluded: chain 5 residue 83 THR Chi-restraints excluded: chain 5 residue 98 ASN Chi-restraints excluded: chain 5 residue 139 ILE Chi-restraints excluded: chain 5 residue 199 ARG Chi-restraints excluded: chain 5 residue 254 VAL Chi-restraints excluded: chain 6 residue 98 ASN Chi-restraints excluded: chain 6 residue 199 ARG Chi-restraints excluded: chain 6 residue 254 VAL Chi-restraints excluded: chain 7 residue 98 ASN Chi-restraints excluded: chain 7 residue 139 ILE Chi-restraints excluded: chain 7 residue 205 THR Chi-restraints excluded: chain 7 residue 254 VAL Chi-restraints excluded: chain 8 residue 199 ARG Chi-restraints excluded: chain 8 residue 229 ASP Chi-restraints excluded: chain 8 residue 254 VAL Chi-restraints excluded: chain 9 residue 83 THR Chi-restraints excluded: chain 9 residue 98 ASN Chi-restraints excluded: chain 9 residue 199 ARG Chi-restraints excluded: chain 9 residue 205 THR Chi-restraints excluded: chain 9 residue 254 VAL Chi-restraints excluded: chain a residue 98 ASN Chi-restraints excluded: chain a residue 199 ARG Chi-restraints excluded: chain a residue 254 VAL Chi-restraints excluded: chain b residue 98 ASN Chi-restraints excluded: chain b residue 139 ILE Chi-restraints excluded: chain b residue 144 THR Chi-restraints excluded: chain b residue 205 THR Chi-restraints excluded: chain b residue 254 VAL Chi-restraints excluded: chain c residue 199 ARG Chi-restraints excluded: chain c residue 229 ASP Chi-restraints excluded: chain c residue 254 VAL Chi-restraints excluded: chain d residue 98 ASN Chi-restraints excluded: chain d residue 160 SER Chi-restraints excluded: chain d residue 199 ARG Chi-restraints excluded: chain d residue 254 VAL Chi-restraints excluded: chain e residue 98 ASN Chi-restraints excluded: chain e residue 160 SER Chi-restraints excluded: chain e residue 199 ARG Chi-restraints excluded: chain e residue 254 VAL Chi-restraints excluded: chain f residue 83 THR Chi-restraints excluded: chain f residue 98 ASN Chi-restraints excluded: chain f residue 199 ARG Chi-restraints excluded: chain f residue 205 THR Chi-restraints excluded: chain f residue 254 VAL Chi-restraints excluded: chain g residue 98 ASN Chi-restraints excluded: chain g residue 139 ILE Chi-restraints excluded: chain g residue 199 ARG Chi-restraints excluded: chain g residue 254 VAL Chi-restraints excluded: chain h residue 98 ASN Chi-restraints excluded: chain h residue 139 ILE Chi-restraints excluded: chain h residue 205 THR Chi-restraints excluded: chain h residue 254 VAL Chi-restraints excluded: chain i residue 199 ARG Chi-restraints excluded: chain i residue 229 ASP Chi-restraints excluded: chain i residue 254 VAL Chi-restraints excluded: chain j residue 83 THR Chi-restraints excluded: chain j residue 98 ASN Chi-restraints excluded: chain j residue 139 ILE Chi-restraints excluded: chain j residue 199 ARG Chi-restraints excluded: chain j residue 205 THR Chi-restraints excluded: chain j residue 254 VAL Chi-restraints excluded: chain k residue 98 ASN Chi-restraints excluded: chain k residue 199 ARG Chi-restraints excluded: chain k residue 254 VAL Chi-restraints excluded: chain l residue 98 ASN Chi-restraints excluded: chain l residue 139 ILE Chi-restraints excluded: chain l residue 205 THR Chi-restraints excluded: chain l residue 254 VAL Chi-restraints excluded: chain m residue 199 ARG Chi-restraints excluded: chain m residue 229 ASP Chi-restraints excluded: chain m residue 254 VAL Chi-restraints excluded: chain n residue 98 ASN Chi-restraints excluded: chain n residue 160 SER Chi-restraints excluded: chain n residue 199 ARG Chi-restraints excluded: chain n residue 254 VAL Chi-restraints excluded: chain o residue 98 ASN Chi-restraints excluded: chain o residue 199 ARG Chi-restraints excluded: chain o residue 254 VAL Chi-restraints excluded: chain p residue 98 ASN Chi-restraints excluded: chain p residue 139 ILE Chi-restraints excluded: chain p residue 205 THR Chi-restraints excluded: chain p residue 254 VAL Chi-restraints excluded: chain q residue 199 ARG Chi-restraints excluded: chain q residue 229 ASP Chi-restraints excluded: chain q residue 254 VAL Chi-restraints excluded: chain r residue 98 ASN Chi-restraints excluded: chain r residue 160 SER Chi-restraints excluded: chain r residue 199 ARG Chi-restraints excluded: chain r residue 254 VAL Chi-restraints excluded: chain s residue 83 THR Chi-restraints excluded: chain s residue 98 ASN Chi-restraints excluded: chain s residue 199 ARG Chi-restraints excluded: chain s residue 205 THR Chi-restraints excluded: chain s residue 254 VAL Chi-restraints excluded: chain t residue 98 ASN Chi-restraints excluded: chain t residue 139 ILE Chi-restraints excluded: chain t residue 205 THR Chi-restraints excluded: chain t residue 254 VAL Chi-restraints excluded: chain u residue 199 ARG Chi-restraints excluded: chain u residue 229 ASP Chi-restraints excluded: chain u residue 254 VAL Chi-restraints excluded: chain v residue 98 ASN Chi-restraints excluded: chain v residue 160 SER Chi-restraints excluded: chain v residue 254 VAL Chi-restraints excluded: chain w residue 83 THR Chi-restraints excluded: chain w residue 98 ASN Chi-restraints excluded: chain w residue 199 ARG Chi-restraints excluded: chain w residue 205 THR Chi-restraints excluded: chain w residue 254 VAL Chi-restraints excluded: chain x residue 98 ASN Chi-restraints excluded: chain x residue 199 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: 9.9990 chunk 600 optimal weight: 10.0000 chunk 898 optimal weight: 1.9990 chunk 452 optimal weight: 2.9990 chunk 295 optimal weight: 4.9990 chunk 291 optimal weight: 4.9990 chunk 955 optimal weight: 7.9990 chunk 1024 optimal weight: 3.9990 chunk 743 optimal weight: 7.9990 chunk 140 optimal weight: 8.9990 chunk 1181 optimal weight: 2.9990 overall best weight: 3.3990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 21 ASN ** C 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 256 ASN D 17 GLN G 21 ASN ** I 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 256 ASN J 17 GLN K 17 GLN M 21 ASN ** O 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 256 ASN P 256 ASN Q 17 GLN S 21 ASN V 21 ASN X 256 ASN Y 17 GLN Z 21 ASN 1 256 ASN 2 17 GLN 4 256 ASN 5 17 GLN 7 21 ASN 9 17 GLN b 21 ASN d 256 ASN e 228 GLN e 256 ASN f 17 GLN h 21 ASN j 17 GLN l 21 ASN ** n 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 256 ASN p 21 ASN ** r 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 256 ASN s 17 GLN t 21 ASN ** v 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 256 ASN w 17 GLN Total number of N/Q/H flips: 37 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8315 moved from start: 0.1318 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.025 133380 Z= 0.251 Angle : 0.653 5.839 180180 Z= 0.353 Chirality : 0.046 0.160 19800 Planarity : 0.005 0.054 22980 Dihedral : 5.343 32.039 18324 Min Nonbonded Distance : 2.323 Molprobity Statistics. All-atom Clashscore : 1.65 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.77 % Favored : 94.23 % Rotamer: Outliers : 2.53 % Allowed : 15.48 % Favored : 81.99 % 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: -1.06 (0.06), residues: 15780 helix: 1.14 (0.07), residues: 4560 sheet: -0.30 (0.10), residues: 2820 loop : -2.00 (0.06), residues: 8400 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.001 TRP 5 45 HIS 0.003 0.002 HIS x 50 PHE 0.013 0.002 PHE 1 114 TYR 0.008 0.001 TYR h 234 ARG 0.007 0.000 ARG h 187 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 887 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 355 poor density : 532 time to evaluate : 11.359 Fit side-chains REVERT: B 199 ARG cc_start: 0.8009 (OUTLIER) cc_final: 0.6601 (mtp85) REVERT: B 229 ASP cc_start: 0.7571 (OUTLIER) cc_final: 0.6963 (m-30) REVERT: C 199 ARG cc_start: 0.8232 (OUTLIER) cc_final: 0.6873 (mtp85) REVERT: D 199 ARG cc_start: 0.8112 (OUTLIER) cc_final: 0.7853 (mmt180) REVERT: E 199 ARG cc_start: 0.7969 (OUTLIER) cc_final: 0.6485 (mtp85) REVERT: F 199 ARG cc_start: 0.7973 (OUTLIER) cc_final: 0.6488 (mtp85) REVERT: H 199 ARG cc_start: 0.8009 (OUTLIER) cc_final: 0.6593 (mtp85) REVERT: H 229 ASP cc_start: 0.7575 (OUTLIER) cc_final: 0.6969 (m-30) REVERT: I 199 ARG cc_start: 0.8249 (OUTLIER) cc_final: 0.6894 (mtp85) REVERT: J 199 ARG cc_start: 0.8116 (OUTLIER) cc_final: 0.7854 (mmt180) REVERT: K 199 ARG cc_start: 0.8143 (OUTLIER) cc_final: 0.7853 (mmt180) REVERT: L 199 ARG cc_start: 0.7974 (OUTLIER) cc_final: 0.6498 (mtp85) REVERT: N 199 ARG cc_start: 0.8011 (OUTLIER) cc_final: 0.6591 (mtp85) REVERT: N 229 ASP cc_start: 0.7575 (OUTLIER) cc_final: 0.6968 (m-30) REVERT: O 199 ARG cc_start: 0.8231 (OUTLIER) cc_final: 0.6873 (mtp85) REVERT: P 199 ARG cc_start: 0.8251 (OUTLIER) cc_final: 0.6893 (mtp85) REVERT: P 210 GLU cc_start: 0.6903 (tt0) cc_final: 0.6692 (tp30) REVERT: Q 199 ARG cc_start: 0.8115 (OUTLIER) cc_final: 0.7851 (mmt180) REVERT: R 199 ARG cc_start: 0.7970 (OUTLIER) cc_final: 0.6488 (mtp85) REVERT: T 199 ARG cc_start: 0.8009 (OUTLIER) cc_final: 0.6593 (mtp85) REVERT: T 229 ASP cc_start: 0.7574 (OUTLIER) cc_final: 0.6966 (m-30) REVERT: U 199 ARG cc_start: 0.7976 (OUTLIER) cc_final: 0.6499 (mtp85) REVERT: W 199 ARG cc_start: 0.8012 (OUTLIER) cc_final: 0.6593 (mtp85) REVERT: W 229 ASP cc_start: 0.7573 (OUTLIER) cc_final: 0.6967 (m-30) REVERT: X 199 ARG cc_start: 0.8249 (OUTLIER) cc_final: 0.6894 (mtp85) REVERT: Y 199 ARG cc_start: 0.8116 (OUTLIER) cc_final: 0.7854 (mmt180) REVERT: 0 199 ARG cc_start: 0.8009 (OUTLIER) cc_final: 0.6591 (mtp85) REVERT: 0 229 ASP cc_start: 0.7576 (OUTLIER) cc_final: 0.6968 (m-30) REVERT: 1 199 ARG cc_start: 0.8248 (OUTLIER) cc_final: 0.6895 (mtp85) REVERT: 2 199 ARG cc_start: 0.8114 (OUTLIER) cc_final: 0.7849 (mmt180) REVERT: 3 199 ARG cc_start: 0.7972 (OUTLIER) cc_final: 0.6489 (mtp85) REVERT: 4 199 ARG cc_start: 0.8249 (OUTLIER) cc_final: 0.6893 (mtp85) REVERT: 5 199 ARG cc_start: 0.8132 (OUTLIER) cc_final: 0.7841 (mmt180) REVERT: 6 199 ARG cc_start: 0.7977 (OUTLIER) cc_final: 0.6502 (mtp85) REVERT: 8 199 ARG cc_start: 0.8008 (OUTLIER) cc_final: 0.6593 (mtp85) REVERT: 8 229 ASP cc_start: 0.7571 (OUTLIER) cc_final: 0.6964 (m-30) REVERT: 9 199 ARG cc_start: 0.8116 (OUTLIER) cc_final: 0.7852 (mmt180) REVERT: a 199 ARG cc_start: 0.7975 (OUTLIER) cc_final: 0.6503 (mtp85) REVERT: c 199 ARG cc_start: 0.8010 (OUTLIER) cc_final: 0.6591 (mtp85) REVERT: c 229 ASP cc_start: 0.7576 (OUTLIER) cc_final: 0.6967 (m-30) REVERT: d 199 ARG cc_start: 0.8236 (OUTLIER) cc_final: 0.6876 (mtp85) REVERT: d 210 GLU cc_start: 0.6906 (tt0) cc_final: 0.6698 (tp30) REVERT: e 199 ARG cc_start: 0.8233 (OUTLIER) cc_final: 0.6874 (mtp85) REVERT: f 199 ARG cc_start: 0.8111 (OUTLIER) cc_final: 0.7850 (mmt180) REVERT: g 199 ARG cc_start: 0.7975 (OUTLIER) cc_final: 0.6501 (mtp85) REVERT: i 199 ARG cc_start: 0.8008 (OUTLIER) cc_final: 0.6588 (mtp85) REVERT: i 229 ASP cc_start: 0.7575 (OUTLIER) cc_final: 0.6966 (m-30) REVERT: j 199 ARG cc_start: 0.8115 (OUTLIER) cc_final: 0.7854 (mmt180) REVERT: k 199 ARG cc_start: 0.7971 (OUTLIER) cc_final: 0.6491 (mtp85) REVERT: m 199 ARG cc_start: 0.8011 (OUTLIER) cc_final: 0.6591 (mtp85) REVERT: m 229 ASP cc_start: 0.7574 (OUTLIER) cc_final: 0.6967 (m-30) REVERT: n 199 ARG cc_start: 0.8233 (OUTLIER) cc_final: 0.6872 (mtp85) REVERT: o 199 ARG cc_start: 0.7967 (OUTLIER) cc_final: 0.6484 (mtp85) REVERT: q 199 ARG cc_start: 0.8009 (OUTLIER) cc_final: 0.6592 (mtp85) REVERT: q 229 ASP cc_start: 0.7575 (OUTLIER) cc_final: 0.6966 (m-30) REVERT: r 199 ARG cc_start: 0.8250 (OUTLIER) cc_final: 0.6895 (mtp85) REVERT: s 199 ARG cc_start: 0.8111 (OUTLIER) cc_final: 0.7847 (mmt180) REVERT: u 199 ARG cc_start: 0.8010 (OUTLIER) cc_final: 0.6590 (mtp85) REVERT: u 229 ASP cc_start: 0.7574 (OUTLIER) cc_final: 0.6967 (m-30) REVERT: v 1 MET cc_start: 0.6767 (mmp) cc_final: 0.6518 (mmt) REVERT: v 199 ARG cc_start: 0.8250 (OUTLIER) cc_final: 0.6911 (mtp85) REVERT: v 210 GLU cc_start: 0.6902 (tt0) cc_final: 0.6689 (tp30) REVERT: w 199 ARG cc_start: 0.8143 (OUTLIER) cc_final: 0.7855 (mmt180) REVERT: x 199 ARG cc_start: 0.7969 (OUTLIER) cc_final: 0.6487 (mtp85) outliers start: 355 outliers final: 254 residues processed: 827 average time/residue: 1.9994 time to fit residues: 2298.9503 Evaluate side-chains 825 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 314 poor density : 511 time to evaluate : 11.343 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 98 ASN Chi-restraints excluded: chain A residue 139 ILE Chi-restraints excluded: chain A residue 254 VAL Chi-restraints excluded: chain B residue 92 LEU Chi-restraints excluded: chain B residue 98 ASN Chi-restraints excluded: chain B residue 139 ILE Chi-restraints excluded: chain B residue 199 ARG Chi-restraints excluded: chain B residue 229 ASP Chi-restraints excluded: chain B residue 254 VAL Chi-restraints excluded: chain C residue 98 ASN Chi-restraints excluded: chain C residue 139 ILE Chi-restraints excluded: chain C residue 159 PHE Chi-restraints excluded: chain C residue 160 SER Chi-restraints excluded: chain C residue 199 ARG Chi-restraints excluded: chain C residue 254 VAL Chi-restraints excluded: chain D residue 83 THR Chi-restraints excluded: chain D residue 92 LEU Chi-restraints excluded: chain D residue 98 ASN Chi-restraints excluded: chain D residue 139 ILE Chi-restraints excluded: chain D residue 160 SER Chi-restraints excluded: chain D residue 199 ARG Chi-restraints excluded: chain D residue 254 VAL Chi-restraints excluded: chain E residue 98 ASN Chi-restraints excluded: chain E residue 139 ILE Chi-restraints excluded: chain E residue 156 LEU Chi-restraints excluded: chain E residue 199 ARG Chi-restraints excluded: chain E residue 254 VAL Chi-restraints excluded: chain F residue 98 ASN Chi-restraints excluded: chain F residue 139 ILE Chi-restraints excluded: chain F residue 156 LEU Chi-restraints excluded: chain F residue 199 ARG Chi-restraints excluded: chain F residue 254 VAL Chi-restraints excluded: chain G residue 98 ASN Chi-restraints excluded: chain G residue 139 ILE Chi-restraints excluded: chain G residue 254 VAL Chi-restraints excluded: chain H residue 92 LEU Chi-restraints excluded: chain H residue 98 ASN Chi-restraints excluded: chain H residue 139 ILE Chi-restraints excluded: chain H residue 199 ARG Chi-restraints excluded: chain H residue 229 ASP Chi-restraints excluded: chain H residue 254 VAL Chi-restraints excluded: chain I residue 98 ASN Chi-restraints excluded: chain I residue 139 ILE Chi-restraints excluded: chain I residue 159 PHE Chi-restraints excluded: chain I residue 160 SER Chi-restraints excluded: chain I residue 199 ARG Chi-restraints excluded: chain I residue 254 VAL Chi-restraints excluded: chain J residue 92 LEU Chi-restraints excluded: chain J residue 98 ASN Chi-restraints excluded: chain J residue 139 ILE Chi-restraints excluded: chain J residue 160 SER Chi-restraints excluded: chain J residue 199 ARG Chi-restraints excluded: chain J residue 205 THR Chi-restraints excluded: chain J residue 254 VAL Chi-restraints excluded: chain K residue 83 THR Chi-restraints excluded: chain K residue 92 LEU Chi-restraints excluded: chain K residue 98 ASN Chi-restraints excluded: chain K residue 139 ILE Chi-restraints excluded: chain K residue 160 SER Chi-restraints excluded: chain K residue 199 ARG Chi-restraints excluded: chain K residue 205 THR Chi-restraints excluded: chain K residue 254 VAL Chi-restraints excluded: chain L residue 98 ASN Chi-restraints excluded: chain L residue 139 ILE Chi-restraints excluded: chain L residue 156 LEU Chi-restraints excluded: chain L residue 199 ARG Chi-restraints excluded: chain L residue 254 VAL Chi-restraints excluded: chain M residue 98 ASN Chi-restraints excluded: chain M residue 139 ILE Chi-restraints excluded: chain M residue 254 VAL Chi-restraints excluded: chain N residue 92 LEU Chi-restraints excluded: chain N residue 98 ASN Chi-restraints excluded: chain N residue 139 ILE Chi-restraints excluded: chain N residue 199 ARG Chi-restraints excluded: chain N residue 229 ASP Chi-restraints excluded: chain N residue 254 VAL Chi-restraints excluded: chain O residue 98 ASN Chi-restraints excluded: chain O residue 139 ILE Chi-restraints excluded: chain O residue 159 PHE Chi-restraints excluded: chain O residue 160 SER Chi-restraints excluded: chain O residue 199 ARG Chi-restraints excluded: chain O residue 254 VAL Chi-restraints excluded: chain P residue 98 ASN Chi-restraints excluded: chain P residue 139 ILE Chi-restraints excluded: chain P residue 159 PHE Chi-restraints excluded: chain P residue 160 SER Chi-restraints excluded: chain P residue 199 ARG Chi-restraints excluded: chain P residue 254 VAL Chi-restraints excluded: chain Q residue 83 THR Chi-restraints excluded: chain Q residue 98 ASN Chi-restraints excluded: chain Q residue 160 SER Chi-restraints excluded: chain Q residue 199 ARG Chi-restraints excluded: chain Q residue 254 VAL Chi-restraints excluded: chain R residue 98 ASN Chi-restraints excluded: chain R residue 139 ILE Chi-restraints excluded: chain R residue 156 LEU Chi-restraints excluded: chain R residue 199 ARG Chi-restraints excluded: chain R residue 254 VAL Chi-restraints excluded: chain S residue 98 ASN Chi-restraints excluded: chain S residue 139 ILE Chi-restraints excluded: chain S residue 254 VAL Chi-restraints excluded: chain T residue 98 ASN Chi-restraints excluded: chain T residue 139 ILE Chi-restraints excluded: chain T residue 199 ARG Chi-restraints excluded: chain T residue 229 ASP Chi-restraints excluded: chain T residue 254 VAL Chi-restraints excluded: chain U residue 98 ASN Chi-restraints excluded: chain U residue 139 ILE Chi-restraints excluded: chain U residue 156 LEU Chi-restraints excluded: chain U residue 199 ARG Chi-restraints excluded: chain U residue 254 VAL Chi-restraints excluded: chain V residue 98 ASN Chi-restraints excluded: chain V residue 139 ILE Chi-restraints excluded: chain V residue 254 VAL Chi-restraints excluded: chain W residue 92 LEU Chi-restraints excluded: chain W residue 98 ASN Chi-restraints excluded: chain W residue 139 ILE Chi-restraints excluded: chain W residue 199 ARG Chi-restraints excluded: chain W residue 229 ASP Chi-restraints excluded: chain W residue 254 VAL Chi-restraints excluded: chain X residue 98 ASN Chi-restraints excluded: chain X residue 139 ILE Chi-restraints excluded: chain X residue 159 PHE Chi-restraints excluded: chain X residue 160 SER Chi-restraints excluded: chain X residue 199 ARG Chi-restraints excluded: chain X residue 254 VAL Chi-restraints excluded: chain Y residue 83 THR Chi-restraints excluded: chain Y residue 98 ASN Chi-restraints excluded: chain Y residue 139 ILE Chi-restraints excluded: chain Y residue 160 SER Chi-restraints excluded: chain Y residue 199 ARG Chi-restraints excluded: chain Y residue 254 VAL Chi-restraints excluded: chain Z residue 98 ASN Chi-restraints excluded: chain Z residue 139 ILE Chi-restraints excluded: chain Z residue 254 VAL Chi-restraints excluded: chain 0 residue 92 LEU Chi-restraints excluded: chain 0 residue 98 ASN Chi-restraints excluded: chain 0 residue 139 ILE Chi-restraints excluded: chain 0 residue 199 ARG Chi-restraints excluded: chain 0 residue 229 ASP Chi-restraints excluded: chain 0 residue 254 VAL Chi-restraints excluded: chain 1 residue 98 ASN Chi-restraints excluded: chain 1 residue 139 ILE Chi-restraints excluded: chain 1 residue 159 PHE Chi-restraints excluded: chain 1 residue 199 ARG Chi-restraints excluded: chain 1 residue 254 VAL Chi-restraints excluded: chain 2 residue 98 ASN Chi-restraints excluded: chain 2 residue 139 ILE Chi-restraints excluded: chain 2 residue 160 SER Chi-restraints excluded: chain 2 residue 199 ARG Chi-restraints excluded: chain 2 residue 254 VAL Chi-restraints excluded: chain 3 residue 98 ASN Chi-restraints excluded: chain 3 residue 139 ILE Chi-restraints excluded: chain 3 residue 156 LEU Chi-restraints excluded: chain 3 residue 199 ARG Chi-restraints excluded: chain 3 residue 254 VAL Chi-restraints excluded: chain 4 residue 98 ASN Chi-restraints excluded: chain 4 residue 139 ILE Chi-restraints excluded: chain 4 residue 159 PHE Chi-restraints excluded: chain 4 residue 160 SER Chi-restraints excluded: chain 4 residue 199 ARG Chi-restraints excluded: chain 4 residue 254 VAL Chi-restraints excluded: chain 5 residue 83 THR Chi-restraints excluded: chain 5 residue 92 LEU Chi-restraints excluded: chain 5 residue 98 ASN Chi-restraints excluded: chain 5 residue 160 SER Chi-restraints excluded: chain 5 residue 199 ARG Chi-restraints excluded: chain 5 residue 205 THR Chi-restraints excluded: chain 5 residue 254 VAL Chi-restraints excluded: chain 6 residue 98 ASN Chi-restraints excluded: chain 6 residue 139 ILE Chi-restraints excluded: chain 6 residue 156 LEU Chi-restraints excluded: chain 6 residue 199 ARG Chi-restraints excluded: chain 6 residue 254 VAL Chi-restraints excluded: chain 7 residue 98 ASN Chi-restraints excluded: chain 7 residue 139 ILE Chi-restraints excluded: chain 7 residue 254 VAL Chi-restraints excluded: chain 8 residue 92 LEU Chi-restraints excluded: chain 8 residue 98 ASN Chi-restraints excluded: chain 8 residue 139 ILE Chi-restraints excluded: chain 8 residue 199 ARG Chi-restraints excluded: chain 8 residue 229 ASP Chi-restraints excluded: chain 8 residue 254 VAL Chi-restraints excluded: chain 9 residue 83 THR Chi-restraints excluded: chain 9 residue 92 LEU Chi-restraints excluded: chain 9 residue 98 ASN Chi-restraints excluded: chain 9 residue 160 SER Chi-restraints excluded: chain 9 residue 199 ARG Chi-restraints excluded: chain 9 residue 254 VAL Chi-restraints excluded: chain a residue 98 ASN Chi-restraints excluded: chain a residue 139 ILE Chi-restraints excluded: chain a residue 156 LEU Chi-restraints excluded: chain a residue 199 ARG Chi-restraints excluded: chain a residue 254 VAL Chi-restraints excluded: chain b residue 98 ASN Chi-restraints excluded: chain b residue 139 ILE Chi-restraints excluded: chain b residue 254 VAL Chi-restraints excluded: chain c residue 98 ASN Chi-restraints excluded: chain c residue 139 ILE Chi-restraints excluded: chain c residue 199 ARG Chi-restraints excluded: chain c residue 229 ASP Chi-restraints excluded: chain c residue 254 VAL Chi-restraints excluded: chain d residue 98 ASN Chi-restraints excluded: chain d residue 139 ILE Chi-restraints excluded: chain d residue 159 PHE Chi-restraints excluded: chain d residue 160 SER Chi-restraints excluded: chain d residue 199 ARG Chi-restraints excluded: chain d residue 254 VAL Chi-restraints excluded: chain e residue 98 ASN Chi-restraints excluded: chain e residue 139 ILE Chi-restraints excluded: chain e residue 159 PHE Chi-restraints excluded: chain e residue 160 SER Chi-restraints excluded: chain e residue 199 ARG Chi-restraints excluded: chain e residue 254 VAL Chi-restraints excluded: chain f residue 92 LEU Chi-restraints excluded: chain f residue 98 ASN Chi-restraints excluded: chain f residue 139 ILE Chi-restraints excluded: chain f residue 160 SER Chi-restraints excluded: chain f residue 199 ARG Chi-restraints excluded: chain f residue 254 VAL Chi-restraints excluded: chain g residue 98 ASN Chi-restraints excluded: chain g residue 139 ILE Chi-restraints excluded: chain g residue 156 LEU Chi-restraints excluded: chain g residue 199 ARG Chi-restraints excluded: chain g residue 254 VAL Chi-restraints excluded: chain h residue 98 ASN Chi-restraints excluded: chain h residue 139 ILE Chi-restraints excluded: chain h residue 254 VAL Chi-restraints excluded: chain i residue 92 LEU Chi-restraints excluded: chain i residue 98 ASN Chi-restraints excluded: chain i residue 139 ILE Chi-restraints excluded: chain i residue 199 ARG Chi-restraints excluded: chain i residue 229 ASP Chi-restraints excluded: chain i residue 254 VAL Chi-restraints excluded: chain j residue 83 THR Chi-restraints excluded: chain j residue 92 LEU Chi-restraints excluded: chain j residue 98 ASN Chi-restraints excluded: chain j residue 160 SER Chi-restraints excluded: chain j residue 199 ARG Chi-restraints excluded: chain j residue 254 VAL Chi-restraints excluded: chain k residue 98 ASN Chi-restraints excluded: chain k residue 139 ILE Chi-restraints excluded: chain k residue 156 LEU Chi-restraints excluded: chain k residue 199 ARG Chi-restraints excluded: chain k residue 254 VAL Chi-restraints excluded: chain l residue 98 ASN Chi-restraints excluded: chain l residue 139 ILE Chi-restraints excluded: chain l residue 254 VAL Chi-restraints excluded: chain m residue 92 LEU Chi-restraints excluded: chain m residue 98 ASN Chi-restraints excluded: chain m residue 139 ILE Chi-restraints excluded: chain m residue 199 ARG Chi-restraints excluded: chain m residue 229 ASP Chi-restraints excluded: chain m residue 254 VAL Chi-restraints excluded: chain n residue 98 ASN Chi-restraints excluded: chain n residue 139 ILE Chi-restraints excluded: chain n residue 159 PHE Chi-restraints excluded: chain n residue 160 SER Chi-restraints excluded: chain n residue 199 ARG Chi-restraints excluded: chain n residue 254 VAL Chi-restraints excluded: chain o residue 98 ASN Chi-restraints excluded: chain o residue 139 ILE Chi-restraints excluded: chain o residue 156 LEU Chi-restraints excluded: chain o residue 199 ARG Chi-restraints excluded: chain o residue 254 VAL Chi-restraints excluded: chain p residue 98 ASN Chi-restraints excluded: chain p residue 139 ILE Chi-restraints excluded: chain p residue 254 VAL Chi-restraints excluded: chain q residue 92 LEU Chi-restraints excluded: chain q residue 98 ASN Chi-restraints excluded: chain q residue 139 ILE Chi-restraints excluded: chain q residue 199 ARG Chi-restraints excluded: chain q residue 229 ASP Chi-restraints excluded: chain q residue 254 VAL Chi-restraints excluded: chain r residue 98 ASN Chi-restraints excluded: chain r residue 139 ILE Chi-restraints excluded: chain r residue 159 PHE Chi-restraints excluded: chain r residue 160 SER Chi-restraints excluded: chain r residue 199 ARG Chi-restraints excluded: chain r residue 205 THR Chi-restraints excluded: chain r residue 254 VAL Chi-restraints excluded: chain s residue 83 THR Chi-restraints excluded: chain s residue 92 LEU Chi-restraints excluded: chain s residue 98 ASN Chi-restraints excluded: chain s residue 139 ILE Chi-restraints excluded: chain s residue 160 SER Chi-restraints excluded: chain s residue 199 ARG Chi-restraints excluded: chain s residue 254 VAL Chi-restraints excluded: chain t residue 98 ASN Chi-restraints excluded: chain t residue 139 ILE Chi-restraints excluded: chain t residue 254 VAL Chi-restraints excluded: chain u residue 98 ASN Chi-restraints excluded: chain u residue 139 ILE Chi-restraints excluded: chain u residue 199 ARG Chi-restraints excluded: chain u residue 229 ASP Chi-restraints excluded: chain u residue 254 VAL Chi-restraints excluded: chain v residue 98 ASN Chi-restraints excluded: chain v residue 139 ILE Chi-restraints excluded: chain v residue 159 PHE Chi-restraints excluded: chain v residue 160 SER Chi-restraints excluded: chain v residue 199 ARG Chi-restraints excluded: chain v residue 254 VAL Chi-restraints excluded: chain w residue 83 THR Chi-restraints excluded: chain w residue 92 LEU Chi-restraints excluded: chain w residue 98 ASN Chi-restraints excluded: chain w residue 139 ILE Chi-restraints excluded: chain w residue 160 SER Chi-restraints excluded: chain w residue 199 ARG Chi-restraints excluded: chain w residue 254 VAL Chi-restraints excluded: chain x residue 98 ASN Chi-restraints excluded: chain x residue 139 ILE Chi-restraints excluded: chain x residue 156 LEU Chi-restraints excluded: chain x residue 199 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: 6.9990 chunk 1440 optimal weight: 2.9990 chunk 1314 optimal weight: 9.9990 chunk 1401 optimal weight: 0.8980 chunk 843 optimal weight: 10.0000 chunk 610 optimal weight: 0.9980 chunk 1100 optimal weight: 0.9990 chunk 429 optimal weight: 10.0000 chunk 1266 optimal weight: 6.9990 chunk 1325 optimal weight: 7.9990 chunk 1396 optimal weight: 10.0000 overall best weight: 2.5786 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 256 ASN ** C 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 256 ASN D 17 GLN H 256 ASN ** I 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 256 ASN J 17 GLN K 17 GLN N 256 ASN ** O 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 256 ASN P 256 ASN Q 17 GLN T 256 ASN W 256 ASN X 256 ASN Y 17 GLN 0 256 ASN 1 256 ASN 2 17 GLN 4 256 ASN 5 17 GLN 8 256 ASN 9 17 GLN c 256 ASN d 256 ASN e 256 ASN f 17 GLN i 256 ASN j 17 GLN m 256 ASN ** n 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 256 ASN q 256 ASN ** r 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 256 ASN s 17 GLN u 256 ASN ** v 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 256 ASN w 17 GLN Total number of N/Q/H flips: 36 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8290 moved from start: 0.1432 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.026 133380 Z= 0.210 Angle : 0.597 5.456 180180 Z= 0.325 Chirality : 0.045 0.154 19800 Planarity : 0.005 0.053 22980 Dihedral : 5.118 29.075 18324 Min Nonbonded Distance : 2.334 Molprobity Statistics. All-atom Clashscore : 1.66 Ramachandran Plot: Outliers : 0.00 % Allowed : 6.80 % Favored : 93.20 % Rotamer: Outliers : 2.39 % Allowed : 15.70 % Favored : 81.91 % 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: -1.05 (0.06), residues: 15780 helix: 1.09 (0.07), residues: 4680 sheet: -0.29 (0.10), residues: 2820 loop : -1.99 (0.06), residues: 8280 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.005 0.001 TRP D 45 HIS 0.003 0.002 HIS e 50 PHE 0.012 0.001 PHE h 114 TYR 0.006 0.001 TYR M 234 ARG 0.007 0.000 ARG V 187 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 829 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 336 poor density : 493 time to evaluate : 11.559 Fit side-chains REVERT: B 199 ARG cc_start: 0.7999 (OUTLIER) cc_final: 0.6569 (mtp85) REVERT: B 229 ASP cc_start: 0.7508 (OUTLIER) cc_final: 0.6915 (m-30) REVERT: D 199 ARG cc_start: 0.8087 (OUTLIER) cc_final: 0.7837 (mmt180) REVERT: E 199 ARG cc_start: 0.7959 (OUTLIER) cc_final: 0.6482 (mtp85) REVERT: F 199 ARG cc_start: 0.7961 (OUTLIER) cc_final: 0.6482 (mtp85) REVERT: H 199 ARG cc_start: 0.8010 (OUTLIER) cc_final: 0.6580 (mtp85) REVERT: H 229 ASP cc_start: 0.7511 (OUTLIER) cc_final: 0.6919 (m-30) REVERT: J 199 ARG cc_start: 0.8085 (OUTLIER) cc_final: 0.7837 (mmt180) REVERT: K 199 ARG cc_start: 0.8104 (OUTLIER) cc_final: 0.7828 (mmt180) REVERT: L 199 ARG cc_start: 0.7952 (OUTLIER) cc_final: 0.6473 (mtp85) REVERT: N 199 ARG cc_start: 0.7999 (OUTLIER) cc_final: 0.6570 (mtp85) REVERT: N 229 ASP cc_start: 0.7506 (OUTLIER) cc_final: 0.6914 (m-30) REVERT: P 210 GLU cc_start: 0.6883 (tt0) cc_final: 0.6675 (tp30) REVERT: Q 199 ARG cc_start: 0.8086 (OUTLIER) cc_final: 0.7836 (mmt180) REVERT: R 199 ARG cc_start: 0.7943 (OUTLIER) cc_final: 0.6460 (mtp85) REVERT: T 199 ARG cc_start: 0.7999 (OUTLIER) cc_final: 0.6572 (mtp85) REVERT: T 229 ASP cc_start: 0.7506 (OUTLIER) cc_final: 0.6914 (m-30) REVERT: U 199 ARG cc_start: 0.7949 (OUTLIER) cc_final: 0.6473 (mtp85) REVERT: W 199 ARG cc_start: 0.7999 (OUTLIER) cc_final: 0.6570 (mtp85) REVERT: W 229 ASP cc_start: 0.7506 (OUTLIER) cc_final: 0.6913 (m-30) REVERT: X 210 GLU cc_start: 0.6881 (tt0) cc_final: 0.6679 (tp30) REVERT: Y 199 ARG cc_start: 0.8084 (OUTLIER) cc_final: 0.7835 (mmt180) REVERT: 0 199 ARG cc_start: 0.7999 (OUTLIER) cc_final: 0.6571 (mtp85) REVERT: 0 229 ASP cc_start: 0.7510 (OUTLIER) cc_final: 0.6913 (m-30) REVERT: 2 199 ARG cc_start: 0.8084 (OUTLIER) cc_final: 0.7834 (mmt180) REVERT: 3 199 ARG cc_start: 0.7960 (OUTLIER) cc_final: 0.6483 (mtp85) REVERT: 5 199 ARG cc_start: 0.8101 (OUTLIER) cc_final: 0.7823 (mmt180) REVERT: 6 199 ARG cc_start: 0.7966 (OUTLIER) cc_final: 0.6495 (mtp85) REVERT: 8 199 ARG cc_start: 0.8000 (OUTLIER) cc_final: 0.6575 (mtp85) REVERT: 8 229 ASP cc_start: 0.7511 (OUTLIER) cc_final: 0.6912 (m-30) REVERT: 9 199 ARG cc_start: 0.8085 (OUTLIER) cc_final: 0.7837 (mmt180) REVERT: a 199 ARG cc_start: 0.7950 (OUTLIER) cc_final: 0.6476 (mtp85) REVERT: c 199 ARG cc_start: 0.8000 (OUTLIER) cc_final: 0.6572 (mtp85) REVERT: c 229 ASP cc_start: 0.7505 (OUTLIER) cc_final: 0.6911 (m-30) REVERT: f 199 ARG cc_start: 0.8086 (OUTLIER) cc_final: 0.7837 (mmt180) REVERT: g 199 ARG cc_start: 0.7962 (OUTLIER) cc_final: 0.6482 (mtp85) REVERT: i 199 ARG cc_start: 0.7999 (OUTLIER) cc_final: 0.6570 (mtp85) REVERT: i 229 ASP cc_start: 0.7505 (OUTLIER) cc_final: 0.6911 (m-30) REVERT: j 199 ARG cc_start: 0.8084 (OUTLIER) cc_final: 0.7836 (mmt180) REVERT: k 199 ARG cc_start: 0.7962 (OUTLIER) cc_final: 0.6485 (mtp85) REVERT: m 199 ARG cc_start: 0.8002 (OUTLIER) cc_final: 0.6573 (mtp85) REVERT: m 229 ASP cc_start: 0.7507 (OUTLIER) cc_final: 0.6914 (m-30) REVERT: o 199 ARG cc_start: 0.7947 (OUTLIER) cc_final: 0.6472 (mtp85) REVERT: q 199 ARG cc_start: 0.8000 (OUTLIER) cc_final: 0.6573 (mtp85) REVERT: q 229 ASP cc_start: 0.7508 (OUTLIER) cc_final: 0.6908 (m-30) REVERT: s 199 ARG cc_start: 0.8080 (OUTLIER) cc_final: 0.7831 (mmt180) REVERT: u 199 ARG cc_start: 0.7997 (OUTLIER) cc_final: 0.6573 (mtp85) REVERT: u 229 ASP cc_start: 0.7510 (OUTLIER) cc_final: 0.6911 (m-30) REVERT: v 199 ARG cc_start: 0.8219 (OUTLIER) cc_final: 0.6862 (mtp85) REVERT: w 199 ARG cc_start: 0.8105 (OUTLIER) cc_final: 0.7828 (mmt180) REVERT: x 199 ARG cc_start: 0.7951 (OUTLIER) cc_final: 0.6477 (mtp85) outliers start: 336 outliers final: 275 residues processed: 774 average time/residue: 1.9415 time to fit residues: 2110.0065 Evaluate side-chains 806 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 324 poor density : 482 time to evaluate : 11.319 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 98 ASN Chi-restraints excluded: chain A residue 139 ILE Chi-restraints excluded: chain A residue 205 THR Chi-restraints excluded: chain A residue 254 VAL Chi-restraints excluded: chain B residue 38 ASP Chi-restraints excluded: chain B residue 92 LEU Chi-restraints excluded: chain B residue 139 ILE Chi-restraints excluded: chain B residue 199 ARG Chi-restraints excluded: chain B residue 229 ASP Chi-restraints excluded: chain B residue 254 VAL Chi-restraints excluded: chain C residue 98 ASN Chi-restraints excluded: chain C residue 139 ILE Chi-restraints excluded: chain C residue 159 PHE Chi-restraints excluded: chain C residue 160 SER Chi-restraints excluded: chain C residue 205 THR Chi-restraints excluded: chain C residue 254 VAL Chi-restraints excluded: chain D residue 83 THR Chi-restraints excluded: chain D residue 98 ASN Chi-restraints excluded: chain D residue 139 ILE Chi-restraints excluded: chain D residue 160 SER Chi-restraints excluded: chain D residue 199 ARG Chi-restraints excluded: chain D residue 205 THR Chi-restraints excluded: chain D residue 254 VAL Chi-restraints excluded: chain E residue 98 ASN Chi-restraints excluded: chain E residue 156 LEU Chi-restraints excluded: chain E residue 199 ARG Chi-restraints excluded: chain E residue 254 VAL Chi-restraints excluded: chain F residue 98 ASN Chi-restraints excluded: chain F residue 139 ILE Chi-restraints excluded: chain F residue 156 LEU Chi-restraints excluded: chain F residue 199 ARG Chi-restraints excluded: chain F residue 254 VAL Chi-restraints excluded: chain G residue 98 ASN Chi-restraints excluded: chain G residue 139 ILE Chi-restraints excluded: chain G residue 205 THR Chi-restraints excluded: chain G residue 254 VAL Chi-restraints excluded: chain H residue 38 ASP Chi-restraints excluded: chain H residue 92 LEU Chi-restraints excluded: chain H residue 98 ASN Chi-restraints excluded: chain H residue 139 ILE Chi-restraints excluded: chain H residue 199 ARG Chi-restraints excluded: chain H residue 229 ASP Chi-restraints excluded: chain H residue 254 VAL Chi-restraints excluded: chain I residue 98 ASN Chi-restraints excluded: chain I residue 139 ILE Chi-restraints excluded: chain I residue 159 PHE Chi-restraints excluded: chain I residue 160 SER Chi-restraints excluded: chain I residue 205 THR Chi-restraints excluded: chain I residue 254 VAL Chi-restraints excluded: chain J residue 83 THR Chi-restraints excluded: chain J residue 98 ASN Chi-restraints excluded: chain J residue 160 SER Chi-restraints excluded: chain J residue 199 ARG Chi-restraints excluded: chain J residue 205 THR Chi-restraints excluded: chain J residue 254 VAL Chi-restraints excluded: chain K residue 83 THR Chi-restraints excluded: chain K residue 98 ASN Chi-restraints excluded: chain K residue 160 SER Chi-restraints excluded: chain K residue 199 ARG Chi-restraints excluded: chain K residue 205 THR Chi-restraints excluded: chain K residue 254 VAL Chi-restraints excluded: chain L residue 98 ASN Chi-restraints excluded: chain L residue 139 ILE Chi-restraints excluded: chain L residue 156 LEU Chi-restraints excluded: chain L residue 199 ARG Chi-restraints excluded: chain L residue 254 VAL Chi-restraints excluded: chain M residue 98 ASN Chi-restraints excluded: chain M residue 139 ILE Chi-restraints excluded: chain M residue 205 THR Chi-restraints excluded: chain M residue 254 VAL Chi-restraints excluded: chain N residue 38 ASP Chi-restraints excluded: chain N residue 92 LEU Chi-restraints excluded: chain N residue 98 ASN Chi-restraints excluded: chain N residue 199 ARG Chi-restraints excluded: chain N residue 229 ASP Chi-restraints excluded: chain N residue 254 VAL Chi-restraints excluded: chain O residue 98 ASN Chi-restraints excluded: chain O residue 139 ILE Chi-restraints excluded: chain O residue 159 PHE Chi-restraints excluded: chain O residue 160 SER Chi-restraints excluded: chain O residue 205 THR Chi-restraints excluded: chain O residue 254 VAL Chi-restraints excluded: chain P residue 98 ASN Chi-restraints excluded: chain P residue 139 ILE Chi-restraints excluded: chain P residue 159 PHE Chi-restraints excluded: chain P residue 160 SER Chi-restraints excluded: chain P residue 254 VAL Chi-restraints excluded: chain Q residue 83 THR Chi-restraints excluded: chain Q residue 92 LEU Chi-restraints excluded: chain Q residue 98 ASN Chi-restraints excluded: chain Q residue 139 ILE Chi-restraints excluded: chain Q residue 160 SER Chi-restraints excluded: chain Q residue 199 ARG Chi-restraints excluded: chain Q residue 205 THR Chi-restraints excluded: chain Q residue 254 VAL Chi-restraints excluded: chain R residue 98 ASN Chi-restraints excluded: chain R residue 139 ILE Chi-restraints excluded: chain R residue 156 LEU Chi-restraints excluded: chain R residue 199 ARG Chi-restraints excluded: chain R residue 254 VAL Chi-restraints excluded: chain S residue 98 ASN Chi-restraints excluded: chain S residue 139 ILE Chi-restraints excluded: chain S residue 205 THR Chi-restraints excluded: chain S residue 254 VAL Chi-restraints excluded: chain T residue 38 ASP Chi-restraints excluded: chain T residue 92 LEU Chi-restraints excluded: chain T residue 98 ASN Chi-restraints excluded: chain T residue 139 ILE Chi-restraints excluded: chain T residue 199 ARG Chi-restraints excluded: chain T residue 229 ASP Chi-restraints excluded: chain T residue 254 VAL Chi-restraints excluded: chain U residue 98 ASN Chi-restraints excluded: chain U residue 139 ILE Chi-restraints excluded: chain U residue 156 LEU Chi-restraints excluded: chain U residue 199 ARG Chi-restraints excluded: chain U residue 254 VAL Chi-restraints excluded: chain V residue 98 ASN Chi-restraints excluded: chain V residue 139 ILE Chi-restraints excluded: chain V residue 205 THR Chi-restraints excluded: chain V residue 254 VAL Chi-restraints excluded: chain W residue 92 LEU Chi-restraints excluded: chain W residue 98 ASN Chi-restraints excluded: chain W residue 139 ILE Chi-restraints excluded: chain W residue 199 ARG Chi-restraints excluded: chain W residue 229 ASP Chi-restraints excluded: chain W residue 254 VAL Chi-restraints excluded: chain X residue 98 ASN Chi-restraints excluded: chain X residue 139 ILE Chi-restraints excluded: chain X residue 159 PHE Chi-restraints excluded: chain X residue 160 SER Chi-restraints excluded: chain X residue 254 VAL Chi-restraints excluded: chain Y residue 83 THR Chi-restraints excluded: chain Y residue 98 ASN Chi-restraints excluded: chain Y residue 139 ILE Chi-restraints excluded: chain Y residue 160 SER Chi-restraints excluded: chain Y residue 199 ARG Chi-restraints excluded: chain Y residue 205 THR Chi-restraints excluded: chain Y residue 254 VAL Chi-restraints excluded: chain Z residue 98 ASN Chi-restraints excluded: chain Z residue 139 ILE Chi-restraints excluded: chain Z residue 205 THR Chi-restraints excluded: chain Z residue 254 VAL Chi-restraints excluded: chain 0 residue 38 ASP Chi-restraints excluded: chain 0 residue 92 LEU Chi-restraints excluded: chain 0 residue 98 ASN Chi-restraints excluded: chain 0 residue 199 ARG Chi-restraints excluded: chain 0 residue 229 ASP Chi-restraints excluded: chain 0 residue 254 VAL Chi-restraints excluded: chain 1 residue 98 ASN Chi-restraints excluded: chain 1 residue 139 ILE Chi-restraints excluded: chain 1 residue 159 PHE Chi-restraints excluded: chain 1 residue 205 THR Chi-restraints excluded: chain 1 residue 254 VAL Chi-restraints excluded: chain 2 residue 83 THR Chi-restraints excluded: chain 2 residue 92 LEU Chi-restraints excluded: chain 2 residue 98 ASN Chi-restraints excluded: chain 2 residue 139 ILE Chi-restraints excluded: chain 2 residue 160 SER Chi-restraints excluded: chain 2 residue 199 ARG Chi-restraints excluded: chain 2 residue 254 VAL Chi-restraints excluded: chain 3 residue 98 ASN Chi-restraints excluded: chain 3 residue 139 ILE Chi-restraints excluded: chain 3 residue 156 LEU Chi-restraints excluded: chain 3 residue 199 ARG Chi-restraints excluded: chain 3 residue 254 VAL Chi-restraints excluded: chain 4 residue 98 ASN Chi-restraints excluded: chain 4 residue 139 ILE Chi-restraints excluded: chain 4 residue 159 PHE Chi-restraints excluded: chain 4 residue 160 SER Chi-restraints excluded: chain 4 residue 254 VAL Chi-restraints excluded: chain 5 residue 83 THR Chi-restraints excluded: chain 5 residue 98 ASN Chi-restraints excluded: chain 5 residue 139 ILE Chi-restraints excluded: chain 5 residue 160 SER Chi-restraints excluded: chain 5 residue 199 ARG Chi-restraints excluded: chain 5 residue 205 THR Chi-restraints excluded: chain 5 residue 254 VAL Chi-restraints excluded: chain 6 residue 98 ASN Chi-restraints excluded: chain 6 residue 139 ILE Chi-restraints excluded: chain 6 residue 156 LEU Chi-restraints excluded: chain 6 residue 199 ARG Chi-restraints excluded: chain 6 residue 254 VAL Chi-restraints excluded: chain 7 residue 98 ASN Chi-restraints excluded: chain 7 residue 139 ILE Chi-restraints excluded: chain 7 residue 205 THR Chi-restraints excluded: chain 7 residue 254 VAL Chi-restraints excluded: chain 8 residue 92 LEU Chi-restraints excluded: chain 8 residue 199 ARG Chi-restraints excluded: chain 8 residue 229 ASP Chi-restraints excluded: chain 8 residue 254 VAL Chi-restraints excluded: chain 9 residue 83 THR Chi-restraints excluded: chain 9 residue 98 ASN Chi-restraints excluded: chain 9 residue 139 ILE Chi-restraints excluded: chain 9 residue 160 SER Chi-restraints excluded: chain 9 residue 199 ARG Chi-restraints excluded: chain 9 residue 254 VAL Chi-restraints excluded: chain a residue 98 ASN Chi-restraints excluded: chain a residue 139 ILE Chi-restraints excluded: chain a residue 156 LEU Chi-restraints excluded: chain a residue 199 ARG Chi-restraints excluded: chain a residue 254 VAL Chi-restraints excluded: chain b residue 98 ASN Chi-restraints excluded: chain b residue 139 ILE Chi-restraints excluded: chain b residue 205 THR Chi-restraints excluded: chain b residue 254 VAL Chi-restraints excluded: chain c residue 92 LEU Chi-restraints excluded: chain c residue 98 ASN Chi-restraints excluded: chain c residue 139 ILE Chi-restraints excluded: chain c residue 199 ARG Chi-restraints excluded: chain c residue 229 ASP Chi-restraints excluded: chain c residue 254 VAL Chi-restraints excluded: chain d residue 98 ASN Chi-restraints excluded: chain d residue 139 ILE Chi-restraints excluded: chain d residue 159 PHE Chi-restraints excluded: chain d residue 160 SER Chi-restraints excluded: chain d residue 254 VAL Chi-restraints excluded: chain e residue 98 ASN Chi-restraints excluded: chain e residue 139 ILE Chi-restraints excluded: chain e residue 159 PHE Chi-restraints excluded: chain e residue 160 SER Chi-restraints excluded: chain e residue 254 VAL Chi-restraints excluded: chain f residue 83 THR Chi-restraints excluded: chain f residue 98 ASN Chi-restraints excluded: chain f residue 139 ILE Chi-restraints excluded: chain f residue 160 SER Chi-restraints excluded: chain f residue 199 ARG Chi-restraints excluded: chain f residue 205 THR Chi-restraints excluded: chain f residue 254 VAL Chi-restraints excluded: chain g residue 98 ASN Chi-restraints excluded: chain g residue 156 LEU Chi-restraints excluded: chain g residue 199 ARG Chi-restraints excluded: chain g residue 254 VAL Chi-restraints excluded: chain h residue 98 ASN Chi-restraints excluded: chain h residue 139 ILE Chi-restraints excluded: chain h residue 205 THR Chi-restraints excluded: chain h residue 254 VAL Chi-restraints excluded: chain i residue 38 ASP Chi-restraints excluded: chain i residue 98 ASN Chi-restraints excluded: chain i residue 139 ILE Chi-restraints excluded: chain i residue 199 ARG Chi-restraints excluded: chain i residue 229 ASP Chi-restraints excluded: chain i residue 254 VAL Chi-restraints excluded: chain j residue 83 THR Chi-restraints excluded: chain j residue 98 ASN Chi-restraints excluded: chain j residue 139 ILE Chi-restraints excluded: chain j residue 160 SER Chi-restraints excluded: chain j residue 199 ARG Chi-restraints excluded: chain j residue 205 THR Chi-restraints excluded: chain j residue 254 VAL Chi-restraints excluded: chain k residue 98 ASN Chi-restraints excluded: chain k residue 139 ILE Chi-restraints excluded: chain k residue 156 LEU Chi-restraints excluded: chain k residue 199 ARG Chi-restraints excluded: chain k residue 254 VAL Chi-restraints excluded: chain l residue 98 ASN Chi-restraints excluded: chain l residue 139 ILE Chi-restraints excluded: chain l residue 205 THR Chi-restraints excluded: chain l residue 254 VAL Chi-restraints excluded: chain m residue 92 LEU Chi-restraints excluded: chain m residue 98 ASN Chi-restraints excluded: chain m residue 139 ILE Chi-restraints excluded: chain m residue 199 ARG Chi-restraints excluded: chain m residue 229 ASP Chi-restraints excluded: chain m residue 254 VAL Chi-restraints excluded: chain n residue 98 ASN Chi-restraints excluded: chain n residue 139 ILE Chi-restraints excluded: chain n residue 159 PHE Chi-restraints excluded: chain n residue 160 SER Chi-restraints excluded: chain n residue 205 THR Chi-restraints excluded: chain n residue 254 VAL Chi-restraints excluded: chain o residue 98 ASN Chi-restraints excluded: chain o residue 139 ILE Chi-restraints excluded: chain o residue 156 LEU Chi-restraints excluded: chain o residue 199 ARG Chi-restraints excluded: chain o residue 254 VAL Chi-restraints excluded: chain p residue 98 ASN Chi-restraints excluded: chain p residue 139 ILE Chi-restraints excluded: chain p residue 205 THR Chi-restraints excluded: chain p residue 254 VAL Chi-restraints excluded: chain q residue 92 LEU Chi-restraints excluded: chain q residue 98 ASN Chi-restraints excluded: chain q residue 139 ILE Chi-restraints excluded: chain q residue 199 ARG Chi-restraints excluded: chain q residue 229 ASP Chi-restraints excluded: chain q residue 254 VAL Chi-restraints excluded: chain r residue 98 ASN Chi-restraints excluded: chain r residue 139 ILE Chi-restraints excluded: chain r residue 159 PHE Chi-restraints excluded: chain r residue 160 SER Chi-restraints excluded: chain r residue 254 VAL Chi-restraints excluded: chain s residue 83 THR Chi-restraints excluded: chain s residue 98 ASN Chi-restraints excluded: chain s residue 139 ILE Chi-restraints excluded: chain s residue 160 SER Chi-restraints excluded: chain s residue 199 ARG Chi-restraints excluded: chain s residue 254 VAL Chi-restraints excluded: chain t residue 98 ASN Chi-restraints excluded: chain t residue 139 ILE Chi-restraints excluded: chain t residue 205 THR Chi-restraints excluded: chain t residue 254 VAL Chi-restraints excluded: chain u residue 38 ASP Chi-restraints excluded: chain u residue 92 LEU Chi-restraints excluded: chain u residue 139 ILE Chi-restraints excluded: chain u residue 199 ARG Chi-restraints excluded: chain u residue 229 ASP Chi-restraints excluded: chain u residue 254 VAL Chi-restraints excluded: chain v residue 98 ASN Chi-restraints excluded: chain v residue 139 ILE Chi-restraints excluded: chain v residue 159 PHE Chi-restraints excluded: chain v residue 160 SER Chi-restraints excluded: chain v residue 199 ARG Chi-restraints excluded: chain v residue 205 THR Chi-restraints excluded: chain v residue 254 VAL Chi-restraints excluded: chain w residue 83 THR Chi-restraints excluded: chain w residue 98 ASN Chi-restraints excluded: chain w residue 139 ILE Chi-restraints excluded: chain w residue 160 SER Chi-restraints excluded: chain w residue 199 ARG Chi-restraints excluded: chain w residue 254 VAL Chi-restraints excluded: chain x residue 98 ASN Chi-restraints excluded: chain x residue 139 ILE Chi-restraints excluded: chain x residue 156 LEU Chi-restraints excluded: chain x residue 199 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: 10.0000 chunk 1481 optimal weight: 4.9990 chunk 904 optimal weight: 10.0000 chunk 702 optimal weight: 3.9990 chunk 1029 optimal weight: 7.9990 chunk 1554 optimal weight: 10.0000 chunk 1430 optimal weight: 7.9990 chunk 1237 optimal weight: 5.9990 chunk 128 optimal weight: 2.9990 chunk 955 optimal weight: 9.9990 chunk 758 optimal weight: 0.8980 overall best weight: 3.7788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** C 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 256 ASN D 17 GLN ** I 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 256 ASN J 17 GLN K 17 GLN ** O 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 256 ASN P 256 ASN Q 17 GLN X 256 ASN Y 17 GLN 1 256 ASN 2 17 GLN 4 256 ASN 5 17 GLN 9 17 GLN d 256 ASN e 256 ASN f 17 GLN j 17 GLN ** n 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 256 ASN ** r 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 256 ASN s 17 GLN ** v 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 256 ASN w 17 GLN Total number of N/Q/H flips: 24 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8329 moved from start: 0.1290 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.025 133380 Z= 0.273 Angle : 0.681 6.351 180180 Z= 0.366 Chirality : 0.047 0.163 19800 Planarity : 0.005 0.055 22980 Dihedral : 5.496 35.707 18324 Min Nonbonded Distance : 2.309 Molprobity Statistics. All-atom Clashscore : 1.69 Ramachandran Plot: Outliers : 0.00 % Allowed : 6.67 % Favored : 93.33 % Rotamer: Outliers : 2.59 % Allowed : 15.69 % Favored : 81.72 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.12 (0.06), residues: 15780 helix: 1.07 (0.07), residues: 4560 sheet: -0.33 (0.10), residues: 2820 loop : -2.02 (0.06), residues: 8400 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.001 TRP 5 45 HIS 0.003 0.002 HIS b 50 PHE 0.014 0.002 PHE 1 114 TYR 0.008 0.001 TYR V 234 ARG 0.008 0.000 ARG A 187 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 31560 Ramachandran restraints generated. 15780 Oldfield, 0 Emsley, 15780 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 869 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 364 poor density : 505 time to evaluate : 11.445 Fit side-chains REVERT: B 199 ARG cc_start: 0.8084 (OUTLIER) cc_final: 0.6709 (mtp85) REVERT: B 229 ASP cc_start: 0.7604 (OUTLIER) cc_final: 0.6997 (m-30) REVERT: C 199 ARG cc_start: 0.8290 (OUTLIER) cc_final: 0.6906 (mtp85) REVERT: D 199 ARG cc_start: 0.8144 (OUTLIER) cc_final: 0.7881 (mmt180) REVERT: E 199 ARG cc_start: 0.7968 (OUTLIER) cc_final: 0.6523 (mtp85) REVERT: F 199 ARG cc_start: 0.7970 (OUTLIER) cc_final: 0.6526 (mtp85) REVERT: H 199 ARG cc_start: 0.8089 (OUTLIER) cc_final: 0.6674 (mtp85) REVERT: H 229 ASP cc_start: 0.7607 (OUTLIER) cc_final: 0.7001 (m-30) REVERT: I 199 ARG cc_start: 0.8289 (OUTLIER) cc_final: 0.6908 (mtp85) REVERT: J 199 ARG cc_start: 0.8143 (OUTLIER) cc_final: 0.7882 (mmt180) REVERT: K 199 ARG cc_start: 0.8148 (OUTLIER) cc_final: 0.7878 (mmt180) REVERT: L 199 ARG cc_start: 0.7962 (OUTLIER) cc_final: 0.6500 (mtp85) REVERT: N 199 ARG cc_start: 0.8083 (OUTLIER) cc_final: 0.6709 (mtp85) REVERT: N 229 ASP cc_start: 0.7602 (OUTLIER) cc_final: 0.6996 (m-30) REVERT: O 199 ARG cc_start: 0.8286 (OUTLIER) cc_final: 0.6906 (mtp85) REVERT: P 199 ARG cc_start: 0.8291 (OUTLIER) cc_final: 0.6906 (mtp85) REVERT: Q 199 ARG cc_start: 0.8144 (OUTLIER) cc_final: 0.7881 (mmt180) REVERT: R 199 ARG cc_start: 0.7959 (OUTLIER) cc_final: 0.6501 (mtp85) REVERT: T 199 ARG cc_start: 0.8084 (OUTLIER) cc_final: 0.6711 (mtp85) REVERT: T 229 ASP cc_start: 0.7603 (OUTLIER) cc_final: 0.6995 (m-30) REVERT: U 199 ARG cc_start: 0.7969 (OUTLIER) cc_final: 0.6523 (mtp85) REVERT: W 199 ARG cc_start: 0.8085 (OUTLIER) cc_final: 0.6711 (mtp85) REVERT: W 229 ASP cc_start: 0.7602 (OUTLIER) cc_final: 0.6995 (m-30) REVERT: X 199 ARG cc_start: 0.8288 (OUTLIER) cc_final: 0.6907 (mtp85) REVERT: Y 199 ARG cc_start: 0.8144 (OUTLIER) cc_final: 0.7881 (mmt180) REVERT: 0 199 ARG cc_start: 0.8086 (OUTLIER) cc_final: 0.6712 (mtp85) REVERT: 0 229 ASP cc_start: 0.7603 (OUTLIER) cc_final: 0.6996 (m-30) REVERT: 1 199 ARG cc_start: 0.8289 (OUTLIER) cc_final: 0.6910 (mtp85) REVERT: 2 199 ARG cc_start: 0.8143 (OUTLIER) cc_final: 0.7880 (mmt180) REVERT: 3 199 ARG cc_start: 0.7959 (OUTLIER) cc_final: 0.6502 (mtp85) REVERT: 4 199 ARG cc_start: 0.8289 (OUTLIER) cc_final: 0.6907 (mtp85) REVERT: 5 199 ARG cc_start: 0.8145 (OUTLIER) cc_final: 0.7876 (mmt180) REVERT: 6 199 ARG cc_start: 0.7970 (OUTLIER) cc_final: 0.6526 (mtp85) REVERT: 8 199 ARG cc_start: 0.8085 (OUTLIER) cc_final: 0.6714 (mtp85) REVERT: 8 229 ASP cc_start: 0.7605 (OUTLIER) cc_final: 0.6997 (m-30) REVERT: 9 199 ARG cc_start: 0.8144 (OUTLIER) cc_final: 0.7881 (mmt180) REVERT: a 199 ARG cc_start: 0.7958 (OUTLIER) cc_final: 0.6501 (mtp85) REVERT: c 199 ARG cc_start: 0.8085 (OUTLIER) cc_final: 0.6712 (mtp85) REVERT: c 229 ASP cc_start: 0.7605 (OUTLIER) cc_final: 0.6996 (m-30) REVERT: d 199 ARG cc_start: 0.8290 (OUTLIER) cc_final: 0.6907 (mtp85) REVERT: e 199 ARG cc_start: 0.8289 (OUTLIER) cc_final: 0.6906 (mtp85) REVERT: f 199 ARG cc_start: 0.8144 (OUTLIER) cc_final: 0.7882 (mmt180) REVERT: g 199 ARG cc_start: 0.7967 (OUTLIER) cc_final: 0.6524 (mtp85) REVERT: i 199 ARG cc_start: 0.8083 (OUTLIER) cc_final: 0.6707 (mtp85) REVERT: i 229 ASP cc_start: 0.7606 (OUTLIER) cc_final: 0.6996 (m-30) REVERT: j 199 ARG cc_start: 0.8143 (OUTLIER) cc_final: 0.7880 (mmt180) REVERT: k 199 ARG cc_start: 0.7960 (OUTLIER) cc_final: 0.6504 (mtp85) REVERT: m 199 ARG cc_start: 0.8087 (OUTLIER) cc_final: 0.6713 (mtp85) REVERT: m 229 ASP cc_start: 0.7603 (OUTLIER) cc_final: 0.6997 (m-30) REVERT: n 199 ARG cc_start: 0.8291 (OUTLIER) cc_final: 0.6905 (mtp85) REVERT: o 199 ARG cc_start: 0.7966 (OUTLIER) cc_final: 0.6521 (mtp85) REVERT: q 199 ARG cc_start: 0.8085 (OUTLIER) cc_final: 0.6712 (mtp85) REVERT: q 229 ASP cc_start: 0.7603 (OUTLIER) cc_final: 0.6995 (m-30) REVERT: r 199 ARG cc_start: 0.8291 (OUTLIER) cc_final: 0.6907 (mtp85) REVERT: s 199 ARG cc_start: 0.8140 (OUTLIER) cc_final: 0.7876 (mmt180) REVERT: u 199 ARG cc_start: 0.8085 (OUTLIER) cc_final: 0.6709 (mtp85) REVERT: u 229 ASP cc_start: 0.7604 (OUTLIER) cc_final: 0.6996 (m-30) REVERT: v 199 ARG cc_start: 0.8276 (OUTLIER) cc_final: 0.6924 (mtp85) REVERT: w 199 ARG cc_start: 0.8147 (OUTLIER) cc_final: 0.7879 (mmt180) REVERT: x 199 ARG cc_start: 0.7959 (OUTLIER) cc_final: 0.6502 (mtp85) outliers start: 364 outliers final: 295 residues processed: 797 average time/residue: 1.9865 time to fit residues: 2216.4169 Evaluate side-chains 857 residues out of total 14040 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 355 poor density : 502 time to evaluate : 11.444 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 98 ASN Chi-restraints excluded: chain A residue 139 ILE Chi-restraints excluded: chain A residue 205 THR Chi-restraints excluded: chain A residue 254 VAL Chi-restraints excluded: chain B residue 38 ASP Chi-restraints excluded: chain B residue 92 LEU Chi-restraints excluded: chain B residue 98 ASN Chi-restraints excluded: chain B residue 139 ILE Chi-restraints excluded: chain B residue 199 ARG Chi-restraints excluded: chain B residue 229 ASP Chi-restraints excluded: chain B residue 254 VAL Chi-restraints excluded: chain C residue 98 ASN Chi-restraints excluded: chain C residue 139 ILE Chi-restraints excluded: chain C residue 160 SER Chi-restraints excluded: chain C residue 199 ARG Chi-restraints excluded: chain C residue 205 THR Chi-restraints excluded: chain C residue 254 VAL Chi-restraints excluded: chain D residue 83 THR Chi-restraints excluded: chain D residue 92 LEU Chi-restraints excluded: chain D residue 98 ASN Chi-restraints excluded: chain D residue 139 ILE Chi-restraints excluded: chain D residue 160 SER Chi-restraints excluded: chain D residue 199 ARG Chi-restraints excluded: chain D residue 205 THR Chi-restraints excluded: chain D residue 254 VAL Chi-restraints excluded: chain E residue 98 ASN Chi-restraints excluded: chain E residue 156 LEU Chi-restraints excluded: chain E residue 199 ARG Chi-restraints excluded: chain E residue 254 VAL Chi-restraints excluded: chain F residue 98 ASN Chi-restraints excluded: chain F residue 139 ILE Chi-restraints excluded: chain F residue 156 LEU Chi-restraints excluded: chain F residue 199 ARG Chi-restraints excluded: chain F residue 254 VAL Chi-restraints excluded: chain G residue 98 ASN Chi-restraints excluded: chain G residue 139 ILE Chi-restraints excluded: chain G residue 205 THR Chi-restraints excluded: chain G residue 254 VAL Chi-restraints excluded: chain H residue 38 ASP Chi-restraints excluded: chain H residue 92 LEU Chi-restraints excluded: chain H residue 98 ASN Chi-restraints excluded: chain H residue 139 ILE Chi-restraints excluded: chain H residue 199 ARG Chi-restraints excluded: chain H residue 229 ASP Chi-restraints excluded: chain H residue 254 VAL Chi-restraints excluded: chain I residue 98 ASN Chi-restraints excluded: chain I residue 139 ILE Chi-restraints excluded: chain I residue 160 SER Chi-restraints excluded: chain I residue 199 ARG Chi-restraints excluded: chain I residue 205 THR Chi-restraints excluded: chain I residue 254 VAL Chi-restraints excluded: chain J residue 83 THR Chi-restraints excluded: chain J residue 92 LEU Chi-restraints excluded: chain J residue 98 ASN Chi-restraints excluded: chain J residue 160 SER Chi-restraints excluded: chain J residue 199 ARG Chi-restraints excluded: chain J residue 205 THR Chi-restraints excluded: chain J residue 254 VAL Chi-restraints excluded: chain K residue 83 THR Chi-restraints excluded: chain K residue 92 LEU Chi-restraints excluded: chain K residue 98 ASN Chi-restraints excluded: chain K residue 160 SER Chi-restraints excluded: chain K residue 199 ARG Chi-restraints excluded: chain K residue 205 THR Chi-restraints excluded: chain K residue 254 VAL Chi-restraints excluded: chain L residue 98 ASN Chi-restraints excluded: chain L residue 139 ILE Chi-restraints excluded: chain L residue 156 LEU Chi-restraints excluded: chain L residue 199 ARG Chi-restraints excluded: chain L residue 254 VAL Chi-restraints excluded: chain M residue 98 ASN Chi-restraints excluded: chain M residue 139 ILE Chi-restraints excluded: chain M residue 205 THR Chi-restraints excluded: chain M residue 254 VAL Chi-restraints excluded: chain N residue 38 ASP Chi-restraints excluded: chain N residue 92 LEU Chi-restraints excluded: chain N residue 98 ASN Chi-restraints excluded: chain N residue 139 ILE Chi-restraints excluded: chain N residue 199 ARG Chi-restraints excluded: chain N residue 229 ASP Chi-restraints excluded: chain N residue 254 VAL Chi-restraints excluded: chain O residue 98 ASN Chi-restraints excluded: chain O residue 139 ILE Chi-restraints excluded: chain O residue 160 SER Chi-restraints excluded: chain O residue 199 ARG Chi-restraints excluded: chain O residue 205 THR Chi-restraints excluded: chain O residue 254 VAL Chi-restraints excluded: chain P residue 98 ASN Chi-restraints excluded: chain P residue 139 ILE Chi-restraints excluded: chain P residue 160 SER Chi-restraints excluded: chain P residue 199 ARG Chi-restraints excluded: chain P residue 205 THR Chi-restraints excluded: chain P residue 254 VAL Chi-restraints excluded: chain Q residue 83 THR Chi-restraints excluded: chain Q residue 92 LEU Chi-restraints excluded: chain Q residue 98 ASN Chi-restraints excluded: chain Q residue 139 ILE Chi-restraints excluded: chain Q residue 160 SER Chi-restraints excluded: chain Q residue 199 ARG Chi-restraints excluded: chain Q residue 205 THR Chi-restraints excluded: chain Q residue 254 VAL Chi-restraints excluded: chain R residue 98 ASN Chi-restraints excluded: chain R residue 139 ILE Chi-restraints excluded: chain R residue 156 LEU Chi-restraints excluded: chain R residue 199 ARG Chi-restraints excluded: chain R residue 254 VAL Chi-restraints excluded: chain S residue 98 ASN Chi-restraints excluded: chain S residue 139 ILE Chi-restraints excluded: chain S residue 205 THR Chi-restraints excluded: chain S residue 254 VAL Chi-restraints excluded: chain T residue 38 ASP Chi-restraints excluded: chain T residue 92 LEU Chi-restraints excluded: chain T residue 98 ASN Chi-restraints excluded: chain T residue 139 ILE Chi-restraints excluded: chain T residue 199 ARG Chi-restraints excluded: chain T residue 229 ASP Chi-restraints excluded: chain T residue 254 VAL Chi-restraints excluded: chain U residue 98 ASN Chi-restraints excluded: chain U residue 139 ILE Chi-restraints excluded: chain U residue 156 LEU Chi-restraints excluded: chain U residue 199 ARG Chi-restraints excluded: chain U residue 254 VAL Chi-restraints excluded: chain V residue 98 ASN Chi-restraints excluded: chain V residue 139 ILE Chi-restraints excluded: chain V residue 205 THR Chi-restraints excluded: chain V residue 254 VAL Chi-restraints excluded: chain W residue 38 ASP Chi-restraints excluded: chain W residue 92 LEU Chi-restraints excluded: chain W residue 98 ASN Chi-restraints excluded: chain W residue 139 ILE Chi-restraints excluded: chain W residue 199 ARG Chi-restraints excluded: chain W residue 229 ASP Chi-restraints excluded: chain W residue 254 VAL Chi-restraints excluded: chain X residue 98 ASN Chi-restraints excluded: chain X residue 139 ILE Chi-restraints excluded: chain X residue 160 SER Chi-restraints excluded: chain X residue 199 ARG Chi-restraints excluded: chain X residue 205 THR Chi-restraints excluded: chain X residue 254 VAL Chi-restraints excluded: chain Y residue 83 THR Chi-restraints excluded: chain Y residue 98 ASN Chi-restraints excluded: chain Y residue 139 ILE Chi-restraints excluded: chain Y residue 160 SER Chi-restraints excluded: chain Y residue 199 ARG Chi-restraints excluded: chain Y residue 205 THR Chi-restraints excluded: chain Y residue 254 VAL Chi-restraints excluded: chain Z residue 98 ASN Chi-restraints excluded: chain Z residue 139 ILE Chi-restraints excluded: chain Z residue 205 THR Chi-restraints excluded: chain Z residue 254 VAL Chi-restraints excluded: chain 0 residue 38 ASP Chi-restraints excluded: chain 0 residue 92 LEU Chi-restraints excluded: chain 0 residue 98 ASN Chi-restraints excluded: chain 0 residue 139 ILE Chi-restraints excluded: chain 0 residue 199 ARG Chi-restraints excluded: chain 0 residue 229 ASP Chi-restraints excluded: chain 0 residue 254 VAL Chi-restraints excluded: chain 1 residue 98 ASN Chi-restraints excluded: chain 1 residue 139 ILE Chi-restraints excluded: chain 1 residue 159 PHE Chi-restraints excluded: chain 1 residue 199 ARG Chi-restraints excluded: chain 1 residue 205 THR Chi-restraints excluded: chain 1 residue 254 VAL Chi-restraints excluded: chain 2 residue 83 THR Chi-restraints excluded: chain 2 residue 92 LEU Chi-restraints excluded: chain 2 residue 98 ASN Chi-restraints excluded: chain 2 residue 139 ILE Chi-restraints excluded: chain 2 residue 160 SER Chi-restraints excluded: chain 2 residue 199 ARG Chi-restraints excluded: chain 2 residue 205 THR Chi-restraints excluded: chain 2 residue 254 VAL Chi-restraints excluded: chain 3 residue 98 ASN Chi-restraints excluded: chain 3 residue 139 ILE Chi-restraints excluded: chain 3 residue 156 LEU Chi-restraints excluded: chain 3 residue 199 ARG Chi-restraints excluded: chain 3 residue 254 VAL Chi-restraints excluded: chain 4 residue 98 ASN Chi-restraints excluded: chain 4 residue 139 ILE Chi-restraints excluded: chain 4 residue 160 SER Chi-restraints excluded: chain 4 residue 199 ARG Chi-restraints excluded: chain 4 residue 205 THR Chi-restraints excluded: chain 4 residue 254 VAL Chi-restraints excluded: chain 5 residue 83 THR Chi-restraints excluded: chain 5 residue 92 LEU Chi-restraints excluded: chain 5 residue 98 ASN Chi-restraints excluded: chain 5 residue 139 ILE Chi-restraints excluded: chain 5 residue 160 SER Chi-restraints excluded: chain 5 residue 199 ARG Chi-restraints excluded: chain 5 residue 205 THR Chi-restraints excluded: chain 5 residue 254 VAL Chi-restraints excluded: chain 6 residue 98 ASN Chi-restraints excluded: chain 6 residue 139 ILE Chi-restraints excluded: chain 6 residue 156 LEU Chi-restraints excluded: chain 6 residue 199 ARG Chi-restraints excluded: chain 6 residue 254 VAL Chi-restraints excluded: chain 7 residue 98 ASN Chi-restraints excluded: chain 7 residue 139 ILE Chi-restraints excluded: chain 7 residue 205 THR Chi-restraints excluded: chain 7 residue 254 VAL Chi-restraints excluded: chain 8 residue 38 ASP Chi-restraints excluded: chain 8 residue 92 LEU Chi-restraints excluded: chain 8 residue 98 ASN Chi-restraints excluded: chain 8 residue 139 ILE Chi-restraints excluded: chain 8 residue 199 ARG Chi-restraints excluded: chain 8 residue 229 ASP Chi-restraints excluded: chain 8 residue 254 VAL Chi-restraints excluded: chain 9 residue 83 THR Chi-restraints excluded: chain 9 residue 92 LEU Chi-restraints excluded: chain 9 residue 98 ASN Chi-restraints excluded: chain 9 residue 139 ILE Chi-restraints excluded: chain 9 residue 160 SER Chi-restraints excluded: chain 9 residue 199 ARG Chi-restraints excluded: chain 9 residue 205 THR Chi-restraints excluded: chain 9 residue 254 VAL Chi-restraints excluded: chain a residue 98 ASN Chi-restraints excluded: chain a residue 139 ILE Chi-restraints excluded: chain a residue 156 LEU Chi-restraints excluded: chain a residue 199 ARG Chi-restraints excluded: chain a residue 254 VAL Chi-restraints excluded: chain b residue 98 ASN Chi-restraints excluded: chain b residue 139 ILE Chi-restraints excluded: chain b residue 205 THR Chi-restraints excluded: chain b residue 254 VAL Chi-restraints excluded: chain c residue 38 ASP Chi-restraints excluded: chain c residue 92 LEU Chi-restraints excluded: chain c residue 98 ASN Chi-restraints excluded: chain c residue 139 ILE Chi-restraints excluded: chain c residue 199 ARG Chi-restraints excluded: chain c residue 229 ASP Chi-restraints excluded: chain c residue 254 VAL Chi-restraints excluded: chain d residue 98 ASN Chi-restraints excluded: chain d residue 139 ILE Chi-restraints excluded: chain d residue 160 SER Chi-restraints excluded: chain d residue 199 ARG Chi-restraints excluded: chain d residue 205 THR Chi-restraints excluded: chain d residue 254 VAL Chi-restraints excluded: chain e residue 98 ASN Chi-restraints excluded: chain e residue 139 ILE Chi-restraints excluded: chain e residue 160 SER Chi-restraints excluded: chain e residue 199 ARG Chi-restraints excluded: chain e residue 205 THR Chi-restraints excluded: chain e residue 254 VAL Chi-restraints excluded: chain f residue 83 THR Chi-restraints excluded: chain f residue 92 LEU Chi-restraints excluded: chain f residue 98 ASN Chi-restraints excluded: chain f residue 139 ILE Chi-restraints excluded: chain f residue 160 SER Chi-restraints excluded: chain f residue 199 ARG Chi-restraints excluded: chain f residue 205 THR Chi-restraints excluded: chain f residue 254 VAL Chi-restraints excluded: chain g residue 98 ASN Chi-restraints excluded: chain g residue 156 LEU Chi-restraints excluded: chain g residue 199 ARG Chi-restraints excluded: chain g residue 254 VAL Chi-restraints excluded: chain h residue 98 ASN Chi-restraints excluded: chain h residue 139 ILE Chi-restraints excluded: chain h residue 205 THR Chi-restraints excluded: chain h residue 254 VAL Chi-restraints excluded: chain i residue 38 ASP Chi-restraints excluded: chain i residue 92 LEU Chi-restraints excluded: chain i residue 98 ASN Chi-restraints excluded: chain i residue 139 ILE Chi-restraints excluded: chain i residue 199 ARG Chi-restraints excluded: chain i residue 229 ASP Chi-restraints excluded: chain i residue 254 VAL Chi-restraints excluded: chain j residue 83 THR Chi-restraints excluded: chain j residue 92 LEU Chi-restraints excluded: chain j residue 98 ASN Chi-restraints excluded: chain j residue 139 ILE Chi-restraints excluded: chain j residue 160 SER Chi-restraints excluded: chain j residue 199 ARG Chi-restraints excluded: chain j residue 205 THR Chi-restraints excluded: chain j residue 254 VAL Chi-restraints excluded: chain k residue 98 ASN Chi-restraints excluded: chain k residue 139 ILE Chi-restraints excluded: chain k residue 156 LEU Chi-restraints excluded: chain k residue 199 ARG Chi-restraints excluded: chain k residue 254 VAL Chi-restraints excluded: chain l residue 98 ASN Chi-restraints excluded: chain l residue 139 ILE Chi-restraints excluded: chain l residue 205 THR Chi-restraints excluded: chain l residue 254 VAL Chi-restraints excluded: chain m residue 38 ASP Chi-restraints excluded: chain m residue 92 LEU Chi-restraints excluded: chain m residue 98 ASN Chi-restraints excluded: chain m residue 139 ILE Chi-restraints excluded: chain m residue 199 ARG Chi-restraints excluded: chain m residue 229 ASP Chi-restraints excluded: chain m residue 254 VAL Chi-restraints excluded: chain n residue 98 ASN Chi-restraints excluded: chain n residue 139 ILE Chi-restraints excluded: chain n residue 160 SER Chi-restraints excluded: chain n residue 199 ARG Chi-restraints excluded: chain n residue 205 THR Chi-restraints excluded: chain n residue 254 VAL Chi-restraints excluded: chain o residue 98 ASN Chi-restraints excluded: chain o residue 139 ILE Chi-restraints excluded: chain o residue 156 LEU Chi-restraints excluded: chain o residue 199 ARG Chi-restraints excluded: chain o residue 254 VAL Chi-restraints excluded: chain p residue 98 ASN Chi-restraints excluded: chain p residue 139 ILE Chi-restraints excluded: chain p residue 205 THR Chi-restraints excluded: chain p residue 254 VAL Chi-restraints excluded: chain q residue 38 ASP Chi-restraints excluded: chain q residue 92 LEU Chi-restraints excluded: chain q residue 98 ASN Chi-restraints excluded: chain q residue 139 ILE Chi-restraints excluded: chain q residue 199 ARG Chi-restraints excluded: chain q residue 229 ASP Chi-restraints excluded: chain q residue 254 VAL Chi-restraints excluded: chain r residue 98 ASN Chi-restraints excluded: chain r residue 139 ILE Chi-restraints excluded: chain r residue 160 SER Chi-restraints excluded: chain r residue 199 ARG Chi-restraints excluded: chain r residue 205 THR Chi-restraints excluded: chain r residue 254 VAL Chi-restraints excluded: chain s residue 83 THR Chi-restraints excluded: chain s residue 92 LEU Chi-restraints excluded: chain s residue 98 ASN Chi-restraints excluded: chain s residue 139 ILE Chi-restraints excluded: chain s residue 160 SER Chi-restraints excluded: chain s residue 199 ARG Chi-restraints excluded: chain s residue 205 THR Chi-restraints excluded: chain s residue 254 VAL Chi-restraints excluded: chain t residue 98 ASN Chi-restraints excluded: chain t residue 139 ILE Chi-restraints excluded: chain t residue 205 THR Chi-restraints excluded: chain t residue 254 VAL Chi-restraints excluded: chain u residue 38 ASP Chi-restraints excluded: chain u residue 92 LEU Chi-restraints excluded: chain u residue 98 ASN Chi-restraints excluded: chain u residue 139 ILE Chi-restraints excluded: chain u residue 199 ARG Chi-restraints excluded: chain u residue 229 ASP Chi-restraints excluded: chain u residue 254 VAL Chi-restraints excluded: chain v residue 98 ASN Chi-restraints excluded: chain v residue 139 ILE Chi-restraints excluded: chain v residue 160 SER Chi-restraints excluded: chain v residue 199 ARG Chi-restraints excluded: chain v residue 205 THR Chi-restraints excluded: chain v residue 254 VAL Chi-restraints excluded: chain w residue 83 THR Chi-restraints excluded: chain w residue 92 LEU Chi-restraints excluded: chain w residue 98 ASN Chi-restraints excluded: chain w residue 139 ILE Chi-restraints excluded: chain w residue 160 SER Chi-restraints excluded: chain w residue 199 ARG Chi-restraints excluded: chain w residue 205 THR Chi-restraints excluded: chain w residue 254 VAL Chi-restraints excluded: chain x residue 98 ASN Chi-restraints excluded: chain x residue 139 ILE Chi-restraints excluded: chain x residue 156 LEU Chi-restraints excluded: chain x residue 199 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: 0.0020 chunk 1318 optimal weight: 5.9990 chunk 379 optimal weight: 0.9990 chunk 1141 optimal weight: 9.9990 chunk 182 optimal weight: 10.0000 chunk 343 optimal weight: 5.9990 chunk 1239 optimal weight: 5.9990 chunk 518 optimal weight: 9.9990 chunk 1272 optimal weight: 2.9990 chunk 156 optimal weight: 7.9990 chunk 228 optimal weight: 0.5980 overall best weight: 2.1194 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 256 ASN ** C 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 256 ASN D 17 GLN H 256 ASN ** I 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 256 ASN J 17 GLN K 17 GLN N 256 ASN ** O 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 256 ASN P 256 ASN Q 17 GLN T 256 ASN W 256 ASN X 256 ASN Y 17 GLN 0 256 ASN 1 256 ASN 2 17 GLN 4 256 ASN 5 17 GLN 8 256 ASN 9 17 GLN c 256 ASN d 256 ASN e 256 ASN f 17 GLN i 256 ASN j 17 GLN m 256 ASN ** n 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 256 ASN q 256 ASN ** r 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 256 ASN s 17 GLN u 256 ASN ** v 228 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 256 ASN w 17 GLN Total number of N/Q/H flips: 36 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3464 r_free = 0.3464 target = 0.129903 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 43)----------------| | r_work = 0.3255 r_free = 0.3255 target = 0.113212 restraints weight = 165448.071| |-----------------------------------------------------------------------------| r_work (start): 0.3243 rms_B_bonded: 1.52 r_work: 0.3135 rms_B_bonded: 2.07 restraints_weight: 0.5000 r_work: 0.3016 rms_B_bonded: 3.58 restraints_weight: 0.2500 r_work (final): 0.3016 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8491 moved from start: 0.1517 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.023 133380 Z= 0.187 Angle : 0.564 5.312 180180 Z= 0.308 Chirality : 0.044 0.150 19800 Planarity : 0.005 0.052 22980 Dihedral : 4.991 28.514 18324 Min Nonbonded Distance : 2.349 Molprobity Statistics. All-atom Clashscore : 1.62 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.94 % Favored : 95.06 % Rotamer: Outliers : 2.46 % Allowed : 15.93 % Favored : 81.60 % 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: -1.08 (0.06), residues: 15780 helix: 1.14 (0.07), residues: 4680 sheet: 0.13 (0.12), residues: 1980 loop : -2.04 (0.05), residues: 9120 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.001 TRP 5 45 HIS 0.002 0.001 HIS d 50 PHE 0.013 0.001 PHE J 114 TYR 0.006 0.001 TYR b 234 ARG 0.007 0.000 ARG G 187 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 35105.00 seconds wall clock time: 607 minutes 57.91 seconds (36477.91 seconds total)