Starting phenix.real_space_refine on Tue Apr 16 01:10:31 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8t6r_41078/04_2024/8t6r_41078.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8t6r_41078/04_2024/8t6r_41078.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=1.78 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8t6r_41078/04_2024/8t6r_41078.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8t6r_41078/04_2024/8t6r_41078.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8t6r_41078/04_2024/8t6r_41078.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8t6r_41078/04_2024/8t6r_41078.pdb" } resolution = 1.78 write_initial_geo_file = False refinement { macro_cycles = 10 } qi { qm_restraints { package { program = *test } } } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs 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= 0.016 sd= 0.130 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 90720 2.51 5 N 24780 2.21 5 O 27060 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A GLU 46": "OE1" <-> "OE2" Residue "A ASP 60": "OD1" <-> "OD2" Residue "A PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 122": "OE1" <-> "OE2" Residue "A ASP 146": "OD1" <-> "OD2" Residue "A GLU 224": "OE1" <-> "OE2" Residue "A ASP 225": "OD1" <-> "OD2" Residue "A GLU 253": "OE1" <-> "OE2" Residue "A PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 296": "OE1" <-> "OE2" Residue "A ASP 298": "OD1" <-> "OD2" Residue "A TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 46": "OE1" <-> "OE2" Residue "B ASP 60": "OD1" <-> "OD2" Residue "B PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 122": "OE1" <-> "OE2" Residue "B ASP 146": "OD1" <-> "OD2" Residue "B GLU 224": "OE1" <-> "OE2" Residue "B ASP 225": "OD1" <-> "OD2" Residue "B GLU 253": "OE1" <-> "OE2" Residue "B PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 296": "OE1" <-> "OE2" Residue "B ASP 298": "OD1" <-> "OD2" Residue "B TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 46": "OE1" <-> "OE2" Residue "C ASP 60": "OD1" <-> "OD2" Residue "C PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 122": "OE1" <-> "OE2" Residue "C ASP 146": "OD1" <-> "OD2" Residue "C GLU 224": "OE1" <-> "OE2" Residue "C ASP 225": "OD1" <-> "OD2" Residue "C GLU 253": "OE1" <-> "OE2" Residue "C PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 296": "OE1" <-> "OE2" Residue "C ASP 298": "OD1" <-> "OD2" Residue "C TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 46": "OE1" <-> "OE2" Residue "D ASP 60": "OD1" <-> "OD2" Residue "D PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 122": "OE1" <-> "OE2" Residue "D ASP 146": "OD1" <-> "OD2" Residue "D GLU 224": "OE1" <-> "OE2" Residue "D ASP 225": "OD1" <-> "OD2" Residue "D GLU 253": "OE1" <-> "OE2" Residue "D PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 296": "OE1" <-> "OE2" Residue "D ASP 298": "OD1" <-> "OD2" Residue "D TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 46": "OE1" <-> "OE2" Residue "E ASP 60": "OD1" <-> "OD2" Residue "E PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 122": "OE1" <-> "OE2" Residue "E ASP 146": "OD1" <-> "OD2" Residue "E GLU 224": "OE1" <-> "OE2" Residue "E ASP 225": "OD1" <-> "OD2" Residue "E GLU 253": "OE1" <-> "OE2" Residue "E PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 296": "OE1" <-> "OE2" Residue "E ASP 298": "OD1" <-> "OD2" Residue "E TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F GLU 46": "OE1" <-> "OE2" Residue "F ASP 60": "OD1" <-> "OD2" Residue "F PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F GLU 122": "OE1" <-> "OE2" Residue "F ASP 146": "OD1" <-> "OD2" Residue "F GLU 224": "OE1" <-> "OE2" Residue "F ASP 225": "OD1" <-> "OD2" Residue "F GLU 253": "OE1" <-> "OE2" Residue "F PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F GLU 296": "OE1" <-> "OE2" Residue "F ASP 298": "OD1" <-> "OD2" Residue "F TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 46": "OE1" <-> "OE2" Residue "G ASP 60": "OD1" <-> "OD2" Residue "G PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 122": "OE1" <-> "OE2" Residue "G ASP 146": "OD1" <-> "OD2" Residue "G GLU 224": "OE1" <-> "OE2" Residue "G ASP 225": "OD1" <-> "OD2" Residue "G GLU 253": "OE1" <-> "OE2" Residue "G PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 296": "OE1" <-> "OE2" Residue "G ASP 298": "OD1" <-> "OD2" Residue "G TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H GLU 46": "OE1" <-> "OE2" Residue "H ASP 60": "OD1" <-> "OD2" Residue "H PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H GLU 122": "OE1" <-> "OE2" Residue "H ASP 146": "OD1" <-> "OD2" Residue "H GLU 224": "OE1" <-> "OE2" Residue "H ASP 225": "OD1" <-> "OD2" Residue "H GLU 253": "OE1" <-> "OE2" Residue "H PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H GLU 296": "OE1" <-> "OE2" Residue "H ASP 298": "OD1" <-> "OD2" Residue "H TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I GLU 46": "OE1" <-> "OE2" Residue "I ASP 60": "OD1" <-> "OD2" Residue "I PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I GLU 122": "OE1" <-> "OE2" Residue "I ASP 146": "OD1" <-> "OD2" Residue "I GLU 224": "OE1" <-> "OE2" Residue "I ASP 225": "OD1" <-> "OD2" Residue "I GLU 253": "OE1" <-> "OE2" Residue "I PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I GLU 296": "OE1" <-> "OE2" Residue "I ASP 298": "OD1" <-> "OD2" Residue "I TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J GLU 46": "OE1" <-> "OE2" Residue "J ASP 60": "OD1" <-> "OD2" Residue "J PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J GLU 122": "OE1" <-> "OE2" Residue "J ASP 146": "OD1" <-> "OD2" Residue "J GLU 224": "OE1" <-> "OE2" Residue "J ASP 225": "OD1" <-> "OD2" Residue "J GLU 253": "OE1" <-> "OE2" Residue "J PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J GLU 296": "OE1" <-> "OE2" Residue "J ASP 298": "OD1" <-> "OD2" Residue "J TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K GLU 46": "OE1" <-> "OE2" Residue "K ASP 60": "OD1" <-> "OD2" Residue "K PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K GLU 122": "OE1" <-> "OE2" Residue "K ASP 146": "OD1" <-> "OD2" Residue "K GLU 224": "OE1" <-> "OE2" Residue "K ASP 225": "OD1" <-> "OD2" Residue "K GLU 253": "OE1" <-> "OE2" Residue "K PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K GLU 296": "OE1" <-> "OE2" Residue "K ASP 298": "OD1" <-> "OD2" Residue "K TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L GLU 46": "OE1" <-> "OE2" Residue "L ASP 60": "OD1" <-> "OD2" Residue "L PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L GLU 122": "OE1" <-> "OE2" Residue "L ASP 146": "OD1" <-> "OD2" Residue "L GLU 224": "OE1" <-> "OE2" Residue "L ASP 225": "OD1" <-> "OD2" Residue "L GLU 253": "OE1" <-> "OE2" Residue "L PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L GLU 296": "OE1" <-> "OE2" Residue "L ASP 298": "OD1" <-> "OD2" Residue "L TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M GLU 46": "OE1" <-> "OE2" Residue "M ASP 60": "OD1" <-> "OD2" Residue "M PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M GLU 122": "OE1" <-> "OE2" Residue "M ASP 146": "OD1" <-> "OD2" Residue "M GLU 224": "OE1" <-> "OE2" Residue "M ASP 225": "OD1" <-> "OD2" Residue "M GLU 253": "OE1" <-> "OE2" Residue "M PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M GLU 296": "OE1" <-> "OE2" Residue "M ASP 298": "OD1" <-> "OD2" Residue "M TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N GLU 46": "OE1" <-> "OE2" Residue "N ASP 60": "OD1" <-> "OD2" Residue "N PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N GLU 122": "OE1" <-> "OE2" Residue "N ASP 146": "OD1" <-> "OD2" Residue "N GLU 224": "OE1" <-> "OE2" Residue "N ASP 225": "OD1" <-> "OD2" Residue "N GLU 253": "OE1" <-> "OE2" Residue "N PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N GLU 296": "OE1" <-> "OE2" Residue "N ASP 298": "OD1" <-> "OD2" Residue "N TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O GLU 46": "OE1" <-> "OE2" Residue "O ASP 60": "OD1" <-> "OD2" Residue "O PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O GLU 122": "OE1" <-> "OE2" Residue "O ASP 146": "OD1" <-> "OD2" Residue "O GLU 224": "OE1" <-> "OE2" Residue "O ASP 225": "OD1" <-> "OD2" Residue "O GLU 253": "OE1" <-> "OE2" Residue "O PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O GLU 296": "OE1" <-> "OE2" Residue "O ASP 298": "OD1" <-> "OD2" Residue "O TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P GLU 46": "OE1" <-> "OE2" Residue "P ASP 60": "OD1" <-> "OD2" Residue "P PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P GLU 122": "OE1" <-> "OE2" Residue "P ASP 146": "OD1" <-> "OD2" Residue "P GLU 224": "OE1" <-> "OE2" Residue "P ASP 225": "OD1" <-> "OD2" Residue "P GLU 253": "OE1" <-> "OE2" Residue "P PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P GLU 296": "OE1" <-> "OE2" Residue "P ASP 298": "OD1" <-> "OD2" Residue "P TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q GLU 46": "OE1" <-> "OE2" Residue "Q ASP 60": "OD1" <-> "OD2" Residue "Q PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q GLU 122": "OE1" <-> "OE2" Residue "Q ASP 146": "OD1" <-> "OD2" Residue "Q GLU 224": "OE1" <-> "OE2" Residue "Q ASP 225": "OD1" <-> "OD2" Residue "Q GLU 253": "OE1" <-> "OE2" Residue "Q PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q GLU 296": "OE1" <-> "OE2" Residue "Q ASP 298": "OD1" <-> "OD2" Residue "Q TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R GLU 46": "OE1" <-> "OE2" Residue "R ASP 60": "OD1" <-> "OD2" Residue "R PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R GLU 122": "OE1" <-> "OE2" Residue "R ASP 146": "OD1" <-> "OD2" Residue "R GLU 224": "OE1" <-> "OE2" Residue "R ASP 225": "OD1" <-> "OD2" Residue "R GLU 253": "OE1" <-> "OE2" Residue "R PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R GLU 296": "OE1" <-> "OE2" Residue "R ASP 298": "OD1" <-> "OD2" Residue "R TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S GLU 46": "OE1" <-> "OE2" Residue "S ASP 60": "OD1" <-> "OD2" Residue "S PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S GLU 122": "OE1" <-> "OE2" Residue "S ASP 146": "OD1" <-> "OD2" Residue "S GLU 224": "OE1" <-> "OE2" Residue "S ASP 225": "OD1" <-> "OD2" Residue "S GLU 253": "OE1" <-> "OE2" Residue "S PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S GLU 296": "OE1" <-> "OE2" Residue "S ASP 298": "OD1" <-> "OD2" Residue "S TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T GLU 46": "OE1" <-> "OE2" Residue "T ASP 60": "OD1" <-> "OD2" Residue "T PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T GLU 122": "OE1" <-> "OE2" Residue "T ASP 146": "OD1" <-> "OD2" Residue "T GLU 224": "OE1" <-> "OE2" Residue "T ASP 225": "OD1" <-> "OD2" Residue "T GLU 253": "OE1" <-> "OE2" Residue "T PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T GLU 296": "OE1" <-> "OE2" Residue "T ASP 298": "OD1" <-> "OD2" Residue "T TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U GLU 46": "OE1" <-> "OE2" Residue "U ASP 60": "OD1" <-> "OD2" Residue "U PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U GLU 122": "OE1" <-> "OE2" Residue "U ASP 146": "OD1" <-> "OD2" Residue "U GLU 224": "OE1" <-> "OE2" Residue "U ASP 225": "OD1" <-> "OD2" Residue "U GLU 253": "OE1" <-> "OE2" Residue "U PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U GLU 296": "OE1" <-> "OE2" Residue "U ASP 298": "OD1" <-> "OD2" Residue "U TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V GLU 46": "OE1" <-> "OE2" Residue "V ASP 60": "OD1" <-> "OD2" Residue "V PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V GLU 122": "OE1" <-> "OE2" Residue "V ASP 146": "OD1" <-> "OD2" Residue "V GLU 224": "OE1" <-> "OE2" Residue "V ASP 225": "OD1" <-> "OD2" Residue "V GLU 253": "OE1" <-> "OE2" Residue "V PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V GLU 296": "OE1" <-> "OE2" Residue "V ASP 298": "OD1" <-> "OD2" Residue "V TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W GLU 46": "OE1" <-> "OE2" Residue "W ASP 60": "OD1" <-> "OD2" Residue "W PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W GLU 122": "OE1" <-> "OE2" Residue "W ASP 146": "OD1" <-> "OD2" Residue "W GLU 224": "OE1" <-> "OE2" Residue "W ASP 225": "OD1" <-> "OD2" Residue "W GLU 253": "OE1" <-> "OE2" Residue "W PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W GLU 296": "OE1" <-> "OE2" Residue "W ASP 298": "OD1" <-> "OD2" Residue "W TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X GLU 46": "OE1" <-> "OE2" Residue "X ASP 60": "OD1" <-> "OD2" Residue "X PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X GLU 122": "OE1" <-> "OE2" Residue "X ASP 146": "OD1" <-> "OD2" Residue "X GLU 224": "OE1" <-> "OE2" Residue "X ASP 225": "OD1" <-> "OD2" Residue "X GLU 253": "OE1" <-> "OE2" Residue "X PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X GLU 296": "OE1" <-> "OE2" Residue "X ASP 298": "OD1" <-> "OD2" Residue "X TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y GLU 46": "OE1" <-> "OE2" Residue "Y ASP 60": "OD1" <-> "OD2" Residue "Y PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y GLU 122": "OE1" <-> "OE2" Residue "Y ASP 146": "OD1" <-> "OD2" Residue "Y GLU 224": "OE1" <-> "OE2" Residue "Y ASP 225": "OD1" <-> "OD2" Residue "Y GLU 253": "OE1" <-> "OE2" Residue "Y PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y GLU 296": "OE1" <-> "OE2" Residue "Y ASP 298": "OD1" <-> "OD2" Residue "Y TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z GLU 46": "OE1" <-> "OE2" Residue "Z ASP 60": "OD1" <-> "OD2" Residue "Z PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z GLU 122": "OE1" <-> "OE2" Residue "Z ASP 146": "OD1" <-> "OD2" Residue "Z GLU 224": "OE1" <-> "OE2" Residue "Z ASP 225": "OD1" <-> "OD2" Residue "Z GLU 253": "OE1" <-> "OE2" Residue "Z PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z GLU 296": "OE1" <-> "OE2" Residue "Z ASP 298": "OD1" <-> "OD2" Residue "Z TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 GLU 46": "OE1" <-> "OE2" Residue "0 ASP 60": "OD1" <-> "OD2" Residue "0 PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 GLU 122": "OE1" <-> "OE2" Residue "0 ASP 146": "OD1" <-> "OD2" Residue "0 GLU 224": "OE1" <-> "OE2" Residue "0 ASP 225": "OD1" <-> "OD2" Residue "0 GLU 253": "OE1" <-> "OE2" Residue "0 PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 GLU 296": "OE1" <-> "OE2" Residue "0 ASP 298": "OD1" <-> "OD2" Residue "0 TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 GLU 46": "OE1" <-> "OE2" Residue "1 ASP 60": "OD1" <-> "OD2" Residue "1 PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 GLU 122": "OE1" <-> "OE2" Residue "1 ASP 146": "OD1" <-> "OD2" Residue "1 GLU 224": "OE1" <-> "OE2" Residue "1 ASP 225": "OD1" <-> "OD2" Residue "1 GLU 253": "OE1" <-> "OE2" Residue "1 PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 GLU 296": "OE1" <-> "OE2" Residue "1 ASP 298": "OD1" <-> "OD2" Residue "1 TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 GLU 46": "OE1" <-> "OE2" Residue "2 ASP 60": "OD1" <-> "OD2" Residue "2 PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 GLU 122": "OE1" <-> "OE2" Residue "2 ASP 146": "OD1" <-> "OD2" Residue "2 GLU 224": "OE1" <-> "OE2" Residue "2 ASP 225": "OD1" <-> "OD2" Residue "2 GLU 253": "OE1" <-> "OE2" Residue "2 PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 GLU 296": "OE1" <-> "OE2" Residue "2 ASP 298": "OD1" <-> "OD2" Residue "2 TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 GLU 46": "OE1" <-> "OE2" Residue "3 ASP 60": "OD1" <-> "OD2" Residue "3 PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 GLU 122": "OE1" <-> "OE2" Residue "3 ASP 146": "OD1" <-> "OD2" Residue "3 GLU 224": "OE1" <-> "OE2" Residue "3 ASP 225": "OD1" <-> "OD2" Residue "3 GLU 253": "OE1" <-> "OE2" Residue "3 PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 GLU 296": "OE1" <-> "OE2" Residue "3 ASP 298": "OD1" <-> "OD2" Residue "3 TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 GLU 46": "OE1" <-> "OE2" Residue "4 ASP 60": "OD1" <-> "OD2" Residue "4 PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 GLU 122": "OE1" <-> "OE2" Residue "4 ASP 146": "OD1" <-> "OD2" Residue "4 GLU 224": "OE1" <-> "OE2" Residue "4 ASP 225": "OD1" <-> "OD2" Residue "4 GLU 253": "OE1" <-> "OE2" Residue "4 PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 GLU 296": "OE1" <-> "OE2" Residue "4 ASP 298": "OD1" <-> "OD2" Residue "4 TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 GLU 46": "OE1" <-> "OE2" Residue "5 ASP 60": "OD1" <-> "OD2" Residue "5 PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 GLU 122": "OE1" <-> "OE2" Residue "5 ASP 146": "OD1" <-> "OD2" Residue "5 GLU 224": "OE1" <-> "OE2" Residue "5 ASP 225": "OD1" <-> "OD2" Residue "5 GLU 253": "OE1" <-> "OE2" Residue "5 PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 GLU 296": "OE1" <-> "OE2" Residue "5 ASP 298": "OD1" <-> "OD2" Residue "5 TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 GLU 46": "OE1" <-> "OE2" Residue "6 ASP 60": "OD1" <-> "OD2" Residue "6 PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 GLU 122": "OE1" <-> "OE2" Residue "6 ASP 146": "OD1" <-> "OD2" Residue "6 GLU 224": "OE1" <-> "OE2" Residue "6 ASP 225": "OD1" <-> "OD2" Residue "6 GLU 253": "OE1" <-> "OE2" Residue "6 PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 GLU 296": "OE1" <-> "OE2" Residue "6 ASP 298": "OD1" <-> "OD2" Residue "6 TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 GLU 46": "OE1" <-> "OE2" Residue "7 ASP 60": "OD1" <-> "OD2" Residue "7 PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 GLU 122": "OE1" <-> "OE2" Residue "7 ASP 146": "OD1" <-> "OD2" Residue "7 GLU 224": "OE1" <-> "OE2" Residue "7 ASP 225": "OD1" <-> "OD2" Residue "7 GLU 253": "OE1" <-> "OE2" Residue "7 PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 GLU 296": "OE1" <-> "OE2" Residue "7 ASP 298": "OD1" <-> "OD2" Residue "7 TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 GLU 46": "OE1" <-> "OE2" Residue "8 ASP 60": "OD1" <-> "OD2" Residue "8 PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 GLU 122": "OE1" <-> "OE2" Residue "8 ASP 146": "OD1" <-> "OD2" Residue "8 GLU 224": "OE1" <-> "OE2" Residue "8 ASP 225": "OD1" <-> "OD2" Residue "8 GLU 253": "OE1" <-> "OE2" Residue "8 PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 GLU 296": "OE1" <-> "OE2" Residue "8 ASP 298": "OD1" <-> "OD2" Residue "8 TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 GLU 46": "OE1" <-> "OE2" Residue "9 ASP 60": "OD1" <-> "OD2" Residue "9 PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 GLU 122": "OE1" <-> "OE2" Residue "9 ASP 146": "OD1" <-> "OD2" Residue "9 GLU 224": "OE1" <-> "OE2" Residue "9 ASP 225": "OD1" <-> "OD2" Residue "9 GLU 253": "OE1" <-> "OE2" Residue "9 PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 GLU 296": "OE1" <-> "OE2" Residue "9 ASP 298": "OD1" <-> "OD2" Residue "9 TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a GLU 46": "OE1" <-> "OE2" Residue "a ASP 60": "OD1" <-> "OD2" Residue "a PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a GLU 122": "OE1" <-> "OE2" Residue "a ASP 146": "OD1" <-> "OD2" Residue "a GLU 224": "OE1" <-> "OE2" Residue "a ASP 225": "OD1" <-> "OD2" Residue "a GLU 253": "OE1" <-> "OE2" Residue "a PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a GLU 296": "OE1" <-> "OE2" Residue "a ASP 298": "OD1" <-> "OD2" Residue "a TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b GLU 46": "OE1" <-> "OE2" Residue "b ASP 60": "OD1" <-> "OD2" Residue "b PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b GLU 122": "OE1" <-> "OE2" Residue "b ASP 146": "OD1" <-> "OD2" Residue "b GLU 224": "OE1" <-> "OE2" Residue "b ASP 225": "OD1" <-> "OD2" Residue "b GLU 253": "OE1" <-> "OE2" Residue "b PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b GLU 296": "OE1" <-> "OE2" Residue "b ASP 298": "OD1" <-> "OD2" Residue "b TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c GLU 46": "OE1" <-> "OE2" Residue "c ASP 60": "OD1" <-> "OD2" Residue "c PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c GLU 122": "OE1" <-> "OE2" Residue "c ASP 146": "OD1" <-> "OD2" Residue "c GLU 224": "OE1" <-> "OE2" Residue "c ASP 225": "OD1" <-> "OD2" Residue "c GLU 253": "OE1" <-> "OE2" Residue "c PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c GLU 296": "OE1" <-> "OE2" Residue "c ASP 298": "OD1" <-> "OD2" Residue "c TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d GLU 46": "OE1" <-> "OE2" Residue "d ASP 60": "OD1" <-> "OD2" Residue "d PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d GLU 122": "OE1" <-> "OE2" Residue "d ASP 146": "OD1" <-> "OD2" Residue "d GLU 224": "OE1" <-> "OE2" Residue "d ASP 225": "OD1" <-> "OD2" Residue "d GLU 253": "OE1" <-> "OE2" Residue "d PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d GLU 296": "OE1" <-> "OE2" Residue "d ASP 298": "OD1" <-> "OD2" Residue "d TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e GLU 46": "OE1" <-> "OE2" Residue "e ASP 60": "OD1" <-> "OD2" Residue "e PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e GLU 122": "OE1" <-> "OE2" Residue "e ASP 146": "OD1" <-> "OD2" Residue "e GLU 224": "OE1" <-> "OE2" Residue "e ASP 225": "OD1" <-> "OD2" Residue "e GLU 253": "OE1" <-> "OE2" Residue "e PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e GLU 296": "OE1" <-> "OE2" Residue "e ASP 298": "OD1" <-> "OD2" Residue "e TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f GLU 46": "OE1" <-> "OE2" Residue "f ASP 60": "OD1" <-> "OD2" Residue "f PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f GLU 122": "OE1" <-> "OE2" Residue "f ASP 146": "OD1" <-> "OD2" Residue "f GLU 224": "OE1" <-> "OE2" Residue "f ASP 225": "OD1" <-> "OD2" Residue "f GLU 253": "OE1" <-> "OE2" Residue "f PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f GLU 296": "OE1" <-> "OE2" Residue "f ASP 298": "OD1" <-> "OD2" Residue "f TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g GLU 46": "OE1" <-> "OE2" Residue "g ASP 60": "OD1" <-> "OD2" Residue "g PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g GLU 122": "OE1" <-> "OE2" Residue "g ASP 146": "OD1" <-> "OD2" Residue "g GLU 224": "OE1" <-> "OE2" Residue "g ASP 225": "OD1" <-> "OD2" Residue "g GLU 253": "OE1" <-> "OE2" Residue "g PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g GLU 296": "OE1" <-> "OE2" Residue "g ASP 298": "OD1" <-> "OD2" Residue "g TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h GLU 46": "OE1" <-> "OE2" Residue "h ASP 60": "OD1" <-> "OD2" Residue "h PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h GLU 122": "OE1" <-> "OE2" Residue "h ASP 146": "OD1" <-> "OD2" Residue "h GLU 224": "OE1" <-> "OE2" Residue "h ASP 225": "OD1" <-> "OD2" Residue "h GLU 253": "OE1" <-> "OE2" Residue "h PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h GLU 296": "OE1" <-> "OE2" Residue "h ASP 298": "OD1" <-> "OD2" Residue "h TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i GLU 46": "OE1" <-> "OE2" Residue "i ASP 60": "OD1" <-> "OD2" Residue "i PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i GLU 122": "OE1" <-> "OE2" Residue "i ASP 146": "OD1" <-> "OD2" Residue "i GLU 224": "OE1" <-> "OE2" Residue "i ASP 225": "OD1" <-> "OD2" Residue "i GLU 253": "OE1" <-> "OE2" Residue "i PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i GLU 296": "OE1" <-> "OE2" Residue "i ASP 298": "OD1" <-> "OD2" Residue "i TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j GLU 46": "OE1" <-> "OE2" Residue "j ASP 60": "OD1" <-> "OD2" Residue "j PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j GLU 122": "OE1" <-> "OE2" Residue "j ASP 146": "OD1" <-> "OD2" Residue "j GLU 224": "OE1" <-> "OE2" Residue "j ASP 225": "OD1" <-> "OD2" Residue "j GLU 253": "OE1" <-> "OE2" Residue "j PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j GLU 296": "OE1" <-> "OE2" Residue "j ASP 298": "OD1" <-> "OD2" Residue "j TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k GLU 46": "OE1" <-> "OE2" Residue "k ASP 60": "OD1" <-> "OD2" Residue "k PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k GLU 122": "OE1" <-> "OE2" Residue "k ASP 146": "OD1" <-> "OD2" Residue "k GLU 224": "OE1" <-> "OE2" Residue "k ASP 225": "OD1" <-> "OD2" Residue "k GLU 253": "OE1" <-> "OE2" Residue "k PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k GLU 296": "OE1" <-> "OE2" Residue "k ASP 298": "OD1" <-> "OD2" Residue "k TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l GLU 46": "OE1" <-> "OE2" Residue "l ASP 60": "OD1" <-> "OD2" Residue "l PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l GLU 122": "OE1" <-> "OE2" Residue "l ASP 146": "OD1" <-> "OD2" Residue "l GLU 224": "OE1" <-> "OE2" Residue "l ASP 225": "OD1" <-> "OD2" Residue "l GLU 253": "OE1" <-> "OE2" Residue "l PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l GLU 296": "OE1" <-> "OE2" Residue "l ASP 298": "OD1" <-> "OD2" Residue "l TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m GLU 46": "OE1" <-> "OE2" Residue "m ASP 60": "OD1" <-> "OD2" Residue "m PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m GLU 122": "OE1" <-> "OE2" Residue "m ASP 146": "OD1" <-> "OD2" Residue "m GLU 224": "OE1" <-> "OE2" Residue "m ASP 225": "OD1" <-> "OD2" Residue "m GLU 253": "OE1" <-> "OE2" Residue "m PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m GLU 296": "OE1" <-> "OE2" Residue "m ASP 298": "OD1" <-> "OD2" Residue "m TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n GLU 46": "OE1" <-> "OE2" Residue "n ASP 60": "OD1" <-> "OD2" Residue "n PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n GLU 122": "OE1" <-> "OE2" Residue "n ASP 146": "OD1" <-> "OD2" Residue "n GLU 224": "OE1" <-> "OE2" Residue "n ASP 225": "OD1" <-> "OD2" Residue "n GLU 253": "OE1" <-> "OE2" Residue "n PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n GLU 296": "OE1" <-> "OE2" Residue "n ASP 298": "OD1" <-> "OD2" Residue "n TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o GLU 46": "OE1" <-> "OE2" Residue "o ASP 60": "OD1" <-> "OD2" Residue "o PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o GLU 122": "OE1" <-> "OE2" Residue "o ASP 146": "OD1" <-> "OD2" Residue "o GLU 224": "OE1" <-> "OE2" Residue "o ASP 225": "OD1" <-> "OD2" Residue "o GLU 253": "OE1" <-> "OE2" Residue "o PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o GLU 296": "OE1" <-> "OE2" Residue "o ASP 298": "OD1" <-> "OD2" Residue "o TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p GLU 46": "OE1" <-> "OE2" Residue "p ASP 60": "OD1" <-> "OD2" Residue "p PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p GLU 122": "OE1" <-> "OE2" Residue "p ASP 146": "OD1" <-> "OD2" Residue "p GLU 224": "OE1" <-> "OE2" Residue "p ASP 225": "OD1" <-> "OD2" Residue "p GLU 253": "OE1" <-> "OE2" Residue "p PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p GLU 296": "OE1" <-> "OE2" Residue "p ASP 298": "OD1" <-> "OD2" Residue "p TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q GLU 46": "OE1" <-> "OE2" Residue "q ASP 60": "OD1" <-> "OD2" Residue "q PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q GLU 122": "OE1" <-> "OE2" Residue "q ASP 146": "OD1" <-> "OD2" Residue "q GLU 224": "OE1" <-> "OE2" Residue "q ASP 225": "OD1" <-> "OD2" Residue "q GLU 253": "OE1" <-> "OE2" Residue "q PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q GLU 296": "OE1" <-> "OE2" Residue "q ASP 298": "OD1" <-> "OD2" Residue "q TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r GLU 46": "OE1" <-> "OE2" Residue "r ASP 60": "OD1" <-> "OD2" Residue "r PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r GLU 122": "OE1" <-> "OE2" Residue "r ASP 146": "OD1" <-> "OD2" Residue "r GLU 224": "OE1" <-> "OE2" Residue "r ASP 225": "OD1" <-> "OD2" Residue "r GLU 253": "OE1" <-> "OE2" Residue "r PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r GLU 296": "OE1" <-> "OE2" Residue "r ASP 298": "OD1" <-> "OD2" Residue "r TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s GLU 46": "OE1" <-> "OE2" Residue "s ASP 60": "OD1" <-> "OD2" Residue "s PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s GLU 122": "OE1" <-> "OE2" Residue "s ASP 146": "OD1" <-> "OD2" Residue "s GLU 224": "OE1" <-> "OE2" Residue "s ASP 225": "OD1" <-> "OD2" Residue "s GLU 253": "OE1" <-> "OE2" Residue "s PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s GLU 296": "OE1" <-> "OE2" Residue "s ASP 298": "OD1" <-> "OD2" Residue "s TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t GLU 46": "OE1" <-> "OE2" Residue "t ASP 60": "OD1" <-> "OD2" Residue "t PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t GLU 122": "OE1" <-> "OE2" Residue "t ASP 146": "OD1" <-> "OD2" Residue "t GLU 224": "OE1" <-> "OE2" Residue "t ASP 225": "OD1" <-> "OD2" Residue "t GLU 253": "OE1" <-> "OE2" Residue "t PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t GLU 296": "OE1" <-> "OE2" Residue "t ASP 298": "OD1" <-> "OD2" Residue "t TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u GLU 46": "OE1" <-> "OE2" Residue "u ASP 60": "OD1" <-> "OD2" Residue "u PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u GLU 122": "OE1" <-> "OE2" Residue "u ASP 146": "OD1" <-> "OD2" Residue "u GLU 224": "OE1" <-> "OE2" Residue "u ASP 225": "OD1" <-> "OD2" Residue "u GLU 253": "OE1" <-> "OE2" Residue "u PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u GLU 296": "OE1" <-> "OE2" Residue "u ASP 298": "OD1" <-> "OD2" Residue "u TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v GLU 46": "OE1" <-> "OE2" Residue "v ASP 60": "OD1" <-> "OD2" Residue "v PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v GLU 122": "OE1" <-> "OE2" Residue "v ASP 146": "OD1" <-> "OD2" Residue "v GLU 224": "OE1" <-> "OE2" Residue "v ASP 225": "OD1" <-> "OD2" Residue "v GLU 253": "OE1" <-> "OE2" Residue "v PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v GLU 296": "OE1" <-> "OE2" Residue "v ASP 298": "OD1" <-> "OD2" Residue "v TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w GLU 46": "OE1" <-> "OE2" Residue "w ASP 60": "OD1" <-> "OD2" Residue "w PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w GLU 122": "OE1" <-> "OE2" Residue "w ASP 146": "OD1" <-> "OD2" Residue "w GLU 224": "OE1" <-> "OE2" Residue "w ASP 225": "OD1" <-> "OD2" Residue "w GLU 253": "OE1" <-> "OE2" Residue "w PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w GLU 296": "OE1" <-> "OE2" Residue "w ASP 298": "OD1" <-> "OD2" Residue "w TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x GLU 46": "OE1" <-> "OE2" Residue "x ASP 60": "OD1" <-> "OD2" Residue "x PHE 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 88": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x GLU 122": "OE1" <-> "OE2" Residue "x ASP 146": "OD1" <-> "OD2" Residue "x GLU 224": "OE1" <-> "OE2" Residue "x ASP 225": "OD1" <-> "OD2" Residue "x GLU 253": "OE1" <-> "OE2" Residue "x PHE 262": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x GLU 296": "OE1" <-> "OE2" Residue "x ASP 298": "OD1" <-> "OD2" Residue "x TYR 300": "CD1" <-> "CD2" "CE1" <-> "CE2" Time to flip residues: 0.38s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5288/modules/chem_data/mon_lib" Total number of atoms: 142800 Number of models: 1 Model: "" Number of chains: 60 Chain: "A" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "B" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "C" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "D" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "E" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "F" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "G" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "H" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "I" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "J" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "K" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "L" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "M" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "N" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "O" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "P" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "Q" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "R" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "S" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "T" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "U" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "V" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "W" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "X" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "Y" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "Z" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "0" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "1" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "2" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "3" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "4" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "5" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "6" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "7" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "8" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "9" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "a" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "b" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "c" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "d" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "e" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "f" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "g" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "h" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "i" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "j" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "k" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "l" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "m" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "n" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "o" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "p" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "q" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "r" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "s" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "t" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "u" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "v" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "w" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Chain: "x" Number of atoms: 2380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 302, 2380 Classifications: {'peptide': 302} Link IDs: {'PCIS': 1, 'PTRANS': 21, 'TRANS': 279} Time building chain proxies: 51.83, per 1000 atoms: 0.36 Number of scatterers: 142800 At special positions: 0 Unit cell: (249.48, 249.48, 249.48, 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 27060 8.00 N 24780 7.00 C 90720 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: 38.02 Conformation dependent library (CDL) restraints added in 19.4 seconds 36000 Ramachandran restraints generated. 18000 Oldfield, 0 Emsley, 18000 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 34080 Finding SS restraints... Secondary structure from input PDB file: 600 helices and 240 sheets defined 29.8% alpha, 29.8% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 13.38 Creating SS restraints... Processing helix chain 'A' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN A 17 " --> pdb=" O HIS A 13 " (cutoff:3.500A) Processing helix chain 'A' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS A 38 " --> pdb=" O ARG A 34 " (cutoff:3.500A) Processing helix chain 'A' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE A 61 " --> pdb=" O THR A 58 " (cutoff:3.500A) Processing helix chain 'A' and resid 100 through 106 Processing helix chain 'A' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE A 133 " --> pdb=" O GLU A 129 " (cutoff:3.500A) Processing helix chain 'A' and resid 139 through 144 Processing helix chain 'A' and resid 145 through 147 No H-bonds generated for 'chain 'A' and resid 145 through 147' Processing helix chain 'A' and resid 158 through 169 Processing helix chain 'A' and resid 179 through 193 Processing helix chain 'A' and resid 285 through 287 No H-bonds generated for 'chain 'A' and resid 285 through 287' Processing helix chain 'B' and resid 11 through 17 removed outlier: 4.120A pdb=" N GLN B 17 " --> pdb=" O HIS B 13 " (cutoff:3.500A) Processing helix chain 'B' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS B 38 " --> pdb=" O ARG B 34 " (cutoff:3.500A) Processing helix chain 'B' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE B 61 " --> pdb=" O THR B 58 " (cutoff:3.500A) Processing helix chain 'B' and resid 100 through 106 Processing helix chain 'B' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE B 133 " --> pdb=" O GLU B 129 " (cutoff:3.500A) Processing helix chain 'B' and resid 139 through 144 Processing helix chain 'B' and resid 145 through 147 No H-bonds generated for 'chain 'B' and resid 145 through 147' Processing helix chain 'B' and resid 158 through 169 Processing helix chain 'B' and resid 179 through 193 Processing helix chain 'B' and resid 285 through 287 No H-bonds generated for 'chain 'B' and resid 285 through 287' Processing helix chain 'C' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN C 17 " --> pdb=" O HIS C 13 " (cutoff:3.500A) Processing helix chain 'C' and resid 34 through 40 removed outlier: 3.704A pdb=" N HIS C 38 " --> pdb=" O ARG C 34 " (cutoff:3.500A) Processing helix chain 'C' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE C 61 " --> pdb=" O THR C 58 " (cutoff:3.500A) Processing helix chain 'C' and resid 100 through 106 Processing helix chain 'C' and resid 111 through 135 removed outlier: 3.689A pdb=" N ILE C 133 " --> pdb=" O GLU C 129 " (cutoff:3.500A) Processing helix chain 'C' and resid 139 through 144 Processing helix chain 'C' and resid 145 through 147 No H-bonds generated for 'chain 'C' and resid 145 through 147' Processing helix chain 'C' and resid 158 through 169 Processing helix chain 'C' and resid 179 through 193 Processing helix chain 'C' and resid 285 through 287 No H-bonds generated for 'chain 'C' and resid 285 through 287' Processing helix chain 'D' and resid 11 through 17 removed outlier: 4.120A pdb=" N GLN D 17 " --> pdb=" O HIS D 13 " (cutoff:3.500A) Processing helix chain 'D' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS D 38 " --> pdb=" O ARG D 34 " (cutoff:3.500A) Processing helix chain 'D' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE D 61 " --> pdb=" O THR D 58 " (cutoff:3.500A) Processing helix chain 'D' and resid 100 through 106 Processing helix chain 'D' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE D 133 " --> pdb=" O GLU D 129 " (cutoff:3.500A) Processing helix chain 'D' and resid 139 through 144 Processing helix chain 'D' and resid 145 through 147 No H-bonds generated for 'chain 'D' and resid 145 through 147' Processing helix chain 'D' and resid 158 through 169 Processing helix chain 'D' and resid 179 through 193 Processing helix chain 'D' and resid 285 through 287 No H-bonds generated for 'chain 'D' and resid 285 through 287' Processing helix chain 'E' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN E 17 " --> pdb=" O HIS E 13 " (cutoff:3.500A) Processing helix chain 'E' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS E 38 " --> pdb=" O ARG E 34 " (cutoff:3.500A) Processing helix chain 'E' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE E 61 " --> pdb=" O THR E 58 " (cutoff:3.500A) Processing helix chain 'E' and resid 100 through 106 Processing helix chain 'E' and resid 111 through 135 removed outlier: 3.689A pdb=" N ILE E 133 " --> pdb=" O GLU E 129 " (cutoff:3.500A) Processing helix chain 'E' and resid 139 through 144 Processing helix chain 'E' and resid 145 through 147 No H-bonds generated for 'chain 'E' and resid 145 through 147' Processing helix chain 'E' and resid 158 through 169 Processing helix chain 'E' and resid 179 through 193 Processing helix chain 'E' and resid 285 through 287 No H-bonds generated for 'chain 'E' and resid 285 through 287' Processing helix chain 'F' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN F 17 " --> pdb=" O HIS F 13 " (cutoff:3.500A) Processing helix chain 'F' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS F 38 " --> pdb=" O ARG F 34 " (cutoff:3.500A) Processing helix chain 'F' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE F 61 " --> pdb=" O THR F 58 " (cutoff:3.500A) Processing helix chain 'F' and resid 100 through 106 Processing helix chain 'F' and resid 111 through 135 removed outlier: 3.689A pdb=" N ILE F 133 " --> pdb=" O GLU F 129 " (cutoff:3.500A) Processing helix chain 'F' and resid 139 through 144 Processing helix chain 'F' and resid 145 through 147 No H-bonds generated for 'chain 'F' and resid 145 through 147' Processing helix chain 'F' and resid 158 through 169 Processing helix chain 'F' and resid 179 through 193 Processing helix chain 'F' and resid 285 through 287 No H-bonds generated for 'chain 'F' and resid 285 through 287' Processing helix chain 'G' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN G 17 " --> pdb=" O HIS G 13 " (cutoff:3.500A) Processing helix chain 'G' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS G 38 " --> pdb=" O ARG G 34 " (cutoff:3.500A) Processing helix chain 'G' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE G 61 " --> pdb=" O THR G 58 " (cutoff:3.500A) Processing helix chain 'G' and resid 100 through 106 Processing helix chain 'G' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE G 133 " --> pdb=" O GLU G 129 " (cutoff:3.500A) Processing helix chain 'G' and resid 139 through 144 Processing helix chain 'G' and resid 145 through 147 No H-bonds generated for 'chain 'G' and resid 145 through 147' Processing helix chain 'G' and resid 158 through 169 Processing helix chain 'G' and resid 179 through 193 Processing helix chain 'G' and resid 285 through 287 No H-bonds generated for 'chain 'G' and resid 285 through 287' Processing helix chain 'H' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN H 17 " --> pdb=" O HIS H 13 " (cutoff:3.500A) Processing helix chain 'H' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS H 38 " --> pdb=" O ARG H 34 " (cutoff:3.500A) Processing helix chain 'H' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE H 61 " --> pdb=" O THR H 58 " (cutoff:3.500A) Processing helix chain 'H' and resid 100 through 106 Processing helix chain 'H' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE H 133 " --> pdb=" O GLU H 129 " (cutoff:3.500A) Processing helix chain 'H' and resid 139 through 144 Processing helix chain 'H' and resid 145 through 147 No H-bonds generated for 'chain 'H' and resid 145 through 147' Processing helix chain 'H' and resid 158 through 169 Processing helix chain 'H' and resid 179 through 193 Processing helix chain 'H' and resid 285 through 287 No H-bonds generated for 'chain 'H' and resid 285 through 287' Processing helix chain 'I' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN I 17 " --> pdb=" O HIS I 13 " (cutoff:3.500A) Processing helix chain 'I' and resid 34 through 40 removed outlier: 3.704A pdb=" N HIS I 38 " --> pdb=" O ARG I 34 " (cutoff:3.500A) Processing helix chain 'I' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE I 61 " --> pdb=" O THR I 58 " (cutoff:3.500A) Processing helix chain 'I' and resid 100 through 106 Processing helix chain 'I' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE I 133 " --> pdb=" O GLU I 129 " (cutoff:3.500A) Processing helix chain 'I' and resid 139 through 144 Processing helix chain 'I' and resid 145 through 147 No H-bonds generated for 'chain 'I' and resid 145 through 147' Processing helix chain 'I' and resid 158 through 169 Processing helix chain 'I' and resid 179 through 193 Processing helix chain 'I' and resid 285 through 287 No H-bonds generated for 'chain 'I' and resid 285 through 287' Processing helix chain 'J' and resid 11 through 17 removed outlier: 4.120A pdb=" N GLN J 17 " --> pdb=" O HIS J 13 " (cutoff:3.500A) Processing helix chain 'J' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS J 38 " --> pdb=" O ARG J 34 " (cutoff:3.500A) Processing helix chain 'J' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE J 61 " --> pdb=" O THR J 58 " (cutoff:3.500A) Processing helix chain 'J' and resid 100 through 106 Processing helix chain 'J' and resid 111 through 135 removed outlier: 3.691A pdb=" N ILE J 133 " --> pdb=" O GLU J 129 " (cutoff:3.500A) Processing helix chain 'J' and resid 139 through 144 Processing helix chain 'J' and resid 145 through 147 No H-bonds generated for 'chain 'J' and resid 145 through 147' Processing helix chain 'J' and resid 158 through 169 Processing helix chain 'J' and resid 179 through 193 Processing helix chain 'J' and resid 285 through 287 No H-bonds generated for 'chain 'J' and resid 285 through 287' Processing helix chain 'K' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN K 17 " --> pdb=" O HIS K 13 " (cutoff:3.500A) Processing helix chain 'K' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS K 38 " --> pdb=" O ARG K 34 " (cutoff:3.500A) Processing helix chain 'K' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE K 61 " --> pdb=" O THR K 58 " (cutoff:3.500A) Processing helix chain 'K' and resid 100 through 106 Processing helix chain 'K' and resid 111 through 135 removed outlier: 3.691A pdb=" N ILE K 133 " --> pdb=" O GLU K 129 " (cutoff:3.500A) Processing helix chain 'K' and resid 139 through 144 Processing helix chain 'K' and resid 145 through 147 No H-bonds generated for 'chain 'K' and resid 145 through 147' Processing helix chain 'K' and resid 158 through 169 Processing helix chain 'K' and resid 179 through 193 Processing helix chain 'K' and resid 285 through 287 No H-bonds generated for 'chain 'K' and resid 285 through 287' Processing helix chain 'L' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN L 17 " --> pdb=" O HIS L 13 " (cutoff:3.500A) Processing helix chain 'L' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS L 38 " --> pdb=" O ARG L 34 " (cutoff:3.500A) Processing helix chain 'L' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE L 61 " --> pdb=" O THR L 58 " (cutoff:3.500A) Processing helix chain 'L' and resid 100 through 106 Processing helix chain 'L' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE L 133 " --> pdb=" O GLU L 129 " (cutoff:3.500A) Processing helix chain 'L' and resid 139 through 144 Processing helix chain 'L' and resid 145 through 147 No H-bonds generated for 'chain 'L' and resid 145 through 147' Processing helix chain 'L' and resid 158 through 169 Processing helix chain 'L' and resid 179 through 193 Processing helix chain 'L' and resid 285 through 287 No H-bonds generated for 'chain 'L' and resid 285 through 287' Processing helix chain 'M' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN M 17 " --> pdb=" O HIS M 13 " (cutoff:3.500A) Processing helix chain 'M' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS M 38 " --> pdb=" O ARG M 34 " (cutoff:3.500A) Processing helix chain 'M' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE M 61 " --> pdb=" O THR M 58 " (cutoff:3.500A) Processing helix chain 'M' and resid 100 through 106 Processing helix chain 'M' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE M 133 " --> pdb=" O GLU M 129 " (cutoff:3.500A) Processing helix chain 'M' and resid 139 through 144 Processing helix chain 'M' and resid 145 through 147 No H-bonds generated for 'chain 'M' and resid 145 through 147' Processing helix chain 'M' and resid 158 through 169 Processing helix chain 'M' and resid 179 through 193 Processing helix chain 'M' and resid 285 through 287 No H-bonds generated for 'chain 'M' and resid 285 through 287' Processing helix chain 'N' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN N 17 " --> pdb=" O HIS N 13 " (cutoff:3.500A) Processing helix chain 'N' and resid 34 through 40 removed outlier: 3.704A pdb=" N HIS N 38 " --> pdb=" O ARG N 34 " (cutoff:3.500A) Processing helix chain 'N' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE N 61 " --> pdb=" O THR N 58 " (cutoff:3.500A) Processing helix chain 'N' and resid 100 through 106 Processing helix chain 'N' and resid 111 through 135 removed outlier: 3.691A pdb=" N ILE N 133 " --> pdb=" O GLU N 129 " (cutoff:3.500A) Processing helix chain 'N' and resid 139 through 144 Processing helix chain 'N' and resid 145 through 147 No H-bonds generated for 'chain 'N' and resid 145 through 147' Processing helix chain 'N' and resid 158 through 169 Processing helix chain 'N' and resid 179 through 193 Processing helix chain 'N' and resid 285 through 287 No H-bonds generated for 'chain 'N' and resid 285 through 287' Processing helix chain 'O' and resid 11 through 17 removed outlier: 4.120A pdb=" N GLN O 17 " --> pdb=" O HIS O 13 " (cutoff:3.500A) Processing helix chain 'O' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS O 38 " --> pdb=" O ARG O 34 " (cutoff:3.500A) Processing helix chain 'O' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE O 61 " --> pdb=" O THR O 58 " (cutoff:3.500A) Processing helix chain 'O' and resid 100 through 106 Processing helix chain 'O' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE O 133 " --> pdb=" O GLU O 129 " (cutoff:3.500A) Processing helix chain 'O' and resid 139 through 144 Processing helix chain 'O' and resid 145 through 147 No H-bonds generated for 'chain 'O' and resid 145 through 147' Processing helix chain 'O' and resid 158 through 169 Processing helix chain 'O' and resid 179 through 193 Processing helix chain 'O' and resid 285 through 287 No H-bonds generated for 'chain 'O' and resid 285 through 287' Processing helix chain 'P' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN P 17 " --> pdb=" O HIS P 13 " (cutoff:3.500A) Processing helix chain 'P' and resid 34 through 40 removed outlier: 3.704A pdb=" N HIS P 38 " --> pdb=" O ARG P 34 " (cutoff:3.500A) Processing helix chain 'P' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE P 61 " --> pdb=" O THR P 58 " (cutoff:3.500A) Processing helix chain 'P' and resid 100 through 106 Processing helix chain 'P' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE P 133 " --> pdb=" O GLU P 129 " (cutoff:3.500A) Processing helix chain 'P' and resid 139 through 144 Processing helix chain 'P' and resid 145 through 147 No H-bonds generated for 'chain 'P' and resid 145 through 147' Processing helix chain 'P' and resid 158 through 169 Processing helix chain 'P' and resid 179 through 193 Processing helix chain 'P' and resid 285 through 287 No H-bonds generated for 'chain 'P' and resid 285 through 287' Processing helix chain 'Q' and resid 11 through 17 removed outlier: 4.120A pdb=" N GLN Q 17 " --> pdb=" O HIS Q 13 " (cutoff:3.500A) Processing helix chain 'Q' and resid 34 through 40 removed outlier: 3.704A pdb=" N HIS Q 38 " --> pdb=" O ARG Q 34 " (cutoff:3.500A) Processing helix chain 'Q' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE Q 61 " --> pdb=" O THR Q 58 " (cutoff:3.500A) Processing helix chain 'Q' and resid 100 through 106 Processing helix chain 'Q' and resid 111 through 135 removed outlier: 3.691A pdb=" N ILE Q 133 " --> pdb=" O GLU Q 129 " (cutoff:3.500A) Processing helix chain 'Q' and resid 139 through 144 Processing helix chain 'Q' and resid 145 through 147 No H-bonds generated for 'chain 'Q' and resid 145 through 147' Processing helix chain 'Q' and resid 158 through 169 Processing helix chain 'Q' and resid 179 through 193 Processing helix chain 'Q' and resid 285 through 287 No H-bonds generated for 'chain 'Q' and resid 285 through 287' Processing helix chain 'R' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN R 17 " --> pdb=" O HIS R 13 " (cutoff:3.500A) Processing helix chain 'R' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS R 38 " --> pdb=" O ARG R 34 " (cutoff:3.500A) Processing helix chain 'R' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE R 61 " --> pdb=" O THR R 58 " (cutoff:3.500A) Processing helix chain 'R' and resid 100 through 106 Processing helix chain 'R' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE R 133 " --> pdb=" O GLU R 129 " (cutoff:3.500A) Processing helix chain 'R' and resid 139 through 144 Processing helix chain 'R' and resid 145 through 147 No H-bonds generated for 'chain 'R' and resid 145 through 147' Processing helix chain 'R' and resid 158 through 169 Processing helix chain 'R' and resid 179 through 193 Processing helix chain 'R' and resid 285 through 287 No H-bonds generated for 'chain 'R' and resid 285 through 287' Processing helix chain 'S' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN S 17 " --> pdb=" O HIS S 13 " (cutoff:3.500A) Processing helix chain 'S' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS S 38 " --> pdb=" O ARG S 34 " (cutoff:3.500A) Processing helix chain 'S' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE S 61 " --> pdb=" O THR S 58 " (cutoff:3.500A) Processing helix chain 'S' and resid 100 through 106 Processing helix chain 'S' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE S 133 " --> pdb=" O GLU S 129 " (cutoff:3.500A) Processing helix chain 'S' and resid 139 through 144 Processing helix chain 'S' and resid 145 through 147 No H-bonds generated for 'chain 'S' and resid 145 through 147' Processing helix chain 'S' and resid 158 through 169 Processing helix chain 'S' and resid 179 through 193 Processing helix chain 'S' and resid 285 through 287 No H-bonds generated for 'chain 'S' and resid 285 through 287' Processing helix chain 'T' and resid 11 through 17 removed outlier: 4.120A pdb=" N GLN T 17 " --> pdb=" O HIS T 13 " (cutoff:3.500A) Processing helix chain 'T' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS T 38 " --> pdb=" O ARG T 34 " (cutoff:3.500A) Processing helix chain 'T' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE T 61 " --> pdb=" O THR T 58 " (cutoff:3.500A) Processing helix chain 'T' and resid 100 through 106 Processing helix chain 'T' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE T 133 " --> pdb=" O GLU T 129 " (cutoff:3.500A) Processing helix chain 'T' and resid 139 through 144 Processing helix chain 'T' and resid 145 through 147 No H-bonds generated for 'chain 'T' and resid 145 through 147' Processing helix chain 'T' and resid 158 through 169 Processing helix chain 'T' and resid 179 through 193 Processing helix chain 'T' and resid 285 through 287 No H-bonds generated for 'chain 'T' and resid 285 through 287' Processing helix chain 'U' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN U 17 " --> pdb=" O HIS U 13 " (cutoff:3.500A) Processing helix chain 'U' and resid 34 through 40 removed outlier: 3.704A pdb=" N HIS U 38 " --> pdb=" O ARG U 34 " (cutoff:3.500A) Processing helix chain 'U' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE U 61 " --> pdb=" O THR U 58 " (cutoff:3.500A) Processing helix chain 'U' and resid 100 through 106 Processing helix chain 'U' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE U 133 " --> pdb=" O GLU U 129 " (cutoff:3.500A) Processing helix chain 'U' and resid 139 through 144 Processing helix chain 'U' and resid 145 through 147 No H-bonds generated for 'chain 'U' and resid 145 through 147' Processing helix chain 'U' and resid 158 through 169 Processing helix chain 'U' and resid 179 through 193 Processing helix chain 'U' and resid 285 through 287 No H-bonds generated for 'chain 'U' and resid 285 through 287' Processing helix chain 'V' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN V 17 " --> pdb=" O HIS V 13 " (cutoff:3.500A) Processing helix chain 'V' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS V 38 " --> pdb=" O ARG V 34 " (cutoff:3.500A) Processing helix chain 'V' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE V 61 " --> pdb=" O THR V 58 " (cutoff:3.500A) Processing helix chain 'V' and resid 100 through 106 Processing helix chain 'V' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE V 133 " --> pdb=" O GLU V 129 " (cutoff:3.500A) Processing helix chain 'V' and resid 139 through 144 Processing helix chain 'V' and resid 145 through 147 No H-bonds generated for 'chain 'V' and resid 145 through 147' Processing helix chain 'V' and resid 158 through 169 Processing helix chain 'V' and resid 179 through 193 Processing helix chain 'V' and resid 285 through 287 No H-bonds generated for 'chain 'V' and resid 285 through 287' Processing helix chain 'W' and resid 11 through 17 removed outlier: 4.120A pdb=" N GLN W 17 " --> pdb=" O HIS W 13 " (cutoff:3.500A) Processing helix chain 'W' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS W 38 " --> pdb=" O ARG W 34 " (cutoff:3.500A) Processing helix chain 'W' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE W 61 " --> pdb=" O THR W 58 " (cutoff:3.500A) Processing helix chain 'W' and resid 100 through 106 Processing helix chain 'W' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE W 133 " --> pdb=" O GLU W 129 " (cutoff:3.500A) Processing helix chain 'W' and resid 139 through 144 Processing helix chain 'W' and resid 145 through 147 No H-bonds generated for 'chain 'W' and resid 145 through 147' Processing helix chain 'W' and resid 158 through 169 Processing helix chain 'W' and resid 179 through 193 Processing helix chain 'W' and resid 285 through 287 No H-bonds generated for 'chain 'W' and resid 285 through 287' Processing helix chain 'X' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN X 17 " --> pdb=" O HIS X 13 " (cutoff:3.500A) Processing helix chain 'X' and resid 34 through 40 removed outlier: 3.704A pdb=" N HIS X 38 " --> pdb=" O ARG X 34 " (cutoff:3.500A) Processing helix chain 'X' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE X 61 " --> pdb=" O THR X 58 " (cutoff:3.500A) Processing helix chain 'X' and resid 100 through 106 Processing helix chain 'X' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE X 133 " --> pdb=" O GLU X 129 " (cutoff:3.500A) Processing helix chain 'X' and resid 139 through 144 Processing helix chain 'X' and resid 145 through 147 No H-bonds generated for 'chain 'X' and resid 145 through 147' Processing helix chain 'X' and resid 158 through 169 Processing helix chain 'X' and resid 179 through 193 Processing helix chain 'X' and resid 285 through 287 No H-bonds generated for 'chain 'X' and resid 285 through 287' Processing helix chain 'Y' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN Y 17 " --> pdb=" O HIS Y 13 " (cutoff:3.500A) Processing helix chain 'Y' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS Y 38 " --> pdb=" O ARG Y 34 " (cutoff:3.500A) Processing helix chain 'Y' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE Y 61 " --> pdb=" O THR Y 58 " (cutoff:3.500A) Processing helix chain 'Y' and resid 100 through 106 Processing helix chain 'Y' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE Y 133 " --> pdb=" O GLU Y 129 " (cutoff:3.500A) Processing helix chain 'Y' and resid 139 through 144 Processing helix chain 'Y' and resid 145 through 147 No H-bonds generated for 'chain 'Y' and resid 145 through 147' Processing helix chain 'Y' and resid 158 through 169 Processing helix chain 'Y' and resid 179 through 193 Processing helix chain 'Y' and resid 285 through 287 No H-bonds generated for 'chain 'Y' and resid 285 through 287' Processing helix chain 'Z' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN Z 17 " --> pdb=" O HIS Z 13 " (cutoff:3.500A) Processing helix chain 'Z' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS Z 38 " --> pdb=" O ARG Z 34 " (cutoff:3.500A) Processing helix chain 'Z' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE Z 61 " --> pdb=" O THR Z 58 " (cutoff:3.500A) Processing helix chain 'Z' and resid 100 through 106 Processing helix chain 'Z' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE Z 133 " --> pdb=" O GLU Z 129 " (cutoff:3.500A) Processing helix chain 'Z' and resid 139 through 144 Processing helix chain 'Z' and resid 145 through 147 No H-bonds generated for 'chain 'Z' and resid 145 through 147' Processing helix chain 'Z' and resid 158 through 169 Processing helix chain 'Z' and resid 179 through 193 Processing helix chain 'Z' and resid 285 through 287 No H-bonds generated for 'chain 'Z' and resid 285 through 287' Processing helix chain '0' and resid 11 through 17 removed outlier: 4.120A pdb=" N GLN 0 17 " --> pdb=" O HIS 0 13 " (cutoff:3.500A) Processing helix chain '0' and resid 34 through 40 removed outlier: 3.704A pdb=" N HIS 0 38 " --> pdb=" O ARG 0 34 " (cutoff:3.500A) Processing helix chain '0' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE 0 61 " --> pdb=" O THR 0 58 " (cutoff:3.500A) Processing helix chain '0' and resid 100 through 106 Processing helix chain '0' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE 0 133 " --> pdb=" O GLU 0 129 " (cutoff:3.500A) Processing helix chain '0' and resid 139 through 144 Processing helix chain '0' and resid 145 through 147 No H-bonds generated for 'chain '0' and resid 145 through 147' Processing helix chain '0' and resid 158 through 169 Processing helix chain '0' and resid 179 through 193 Processing helix chain '0' and resid 285 through 287 No H-bonds generated for 'chain '0' and resid 285 through 287' Processing helix chain '1' and resid 11 through 17 removed outlier: 4.120A pdb=" N GLN 1 17 " --> pdb=" O HIS 1 13 " (cutoff:3.500A) Processing helix chain '1' and resid 34 through 40 removed outlier: 3.704A pdb=" N HIS 1 38 " --> pdb=" O ARG 1 34 " (cutoff:3.500A) Processing helix chain '1' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE 1 61 " --> pdb=" O THR 1 58 " (cutoff:3.500A) Processing helix chain '1' and resid 100 through 106 Processing helix chain '1' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE 1 133 " --> pdb=" O GLU 1 129 " (cutoff:3.500A) Processing helix chain '1' and resid 139 through 144 Processing helix chain '1' and resid 145 through 147 No H-bonds generated for 'chain '1' and resid 145 through 147' Processing helix chain '1' and resid 158 through 169 Processing helix chain '1' and resid 179 through 193 Processing helix chain '1' and resid 285 through 287 No H-bonds generated for 'chain '1' and resid 285 through 287' Processing helix chain '2' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN 2 17 " --> pdb=" O HIS 2 13 " (cutoff:3.500A) Processing helix chain '2' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS 2 38 " --> pdb=" O ARG 2 34 " (cutoff:3.500A) Processing helix chain '2' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE 2 61 " --> pdb=" O THR 2 58 " (cutoff:3.500A) Processing helix chain '2' and resid 100 through 106 Processing helix chain '2' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE 2 133 " --> pdb=" O GLU 2 129 " (cutoff:3.500A) Processing helix chain '2' and resid 139 through 144 Processing helix chain '2' and resid 145 through 147 No H-bonds generated for 'chain '2' and resid 145 through 147' Processing helix chain '2' and resid 158 through 169 Processing helix chain '2' and resid 179 through 193 Processing helix chain '2' and resid 285 through 287 No H-bonds generated for 'chain '2' and resid 285 through 287' Processing helix chain '3' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN 3 17 " --> pdb=" O HIS 3 13 " (cutoff:3.500A) Processing helix chain '3' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS 3 38 " --> pdb=" O ARG 3 34 " (cutoff:3.500A) Processing helix chain '3' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE 3 61 " --> pdb=" O THR 3 58 " (cutoff:3.500A) Processing helix chain '3' and resid 100 through 106 Processing helix chain '3' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE 3 133 " --> pdb=" O GLU 3 129 " (cutoff:3.500A) Processing helix chain '3' and resid 139 through 144 Processing helix chain '3' and resid 145 through 147 No H-bonds generated for 'chain '3' and resid 145 through 147' Processing helix chain '3' and resid 158 through 169 Processing helix chain '3' and resid 179 through 193 Processing helix chain '3' and resid 285 through 287 No H-bonds generated for 'chain '3' and resid 285 through 287' Processing helix chain '4' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN 4 17 " --> pdb=" O HIS 4 13 " (cutoff:3.500A) Processing helix chain '4' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS 4 38 " --> pdb=" O ARG 4 34 " (cutoff:3.500A) Processing helix chain '4' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE 4 61 " --> pdb=" O THR 4 58 " (cutoff:3.500A) Processing helix chain '4' and resid 100 through 106 Processing helix chain '4' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE 4 133 " --> pdb=" O GLU 4 129 " (cutoff:3.500A) Processing helix chain '4' and resid 139 through 144 Processing helix chain '4' and resid 145 through 147 No H-bonds generated for 'chain '4' and resid 145 through 147' Processing helix chain '4' and resid 158 through 169 Processing helix chain '4' and resid 179 through 193 Processing helix chain '4' and resid 285 through 287 No H-bonds generated for 'chain '4' and resid 285 through 287' Processing helix chain '5' and resid 11 through 17 removed outlier: 4.120A pdb=" N GLN 5 17 " --> pdb=" O HIS 5 13 " (cutoff:3.500A) Processing helix chain '5' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS 5 38 " --> pdb=" O ARG 5 34 " (cutoff:3.500A) Processing helix chain '5' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE 5 61 " --> pdb=" O THR 5 58 " (cutoff:3.500A) Processing helix chain '5' and resid 100 through 106 Processing helix chain '5' and resid 111 through 135 removed outlier: 3.691A pdb=" N ILE 5 133 " --> pdb=" O GLU 5 129 " (cutoff:3.500A) Processing helix chain '5' and resid 139 through 144 Processing helix chain '5' and resid 145 through 147 No H-bonds generated for 'chain '5' and resid 145 through 147' Processing helix chain '5' and resid 158 through 169 Processing helix chain '5' and resid 179 through 193 Processing helix chain '5' and resid 285 through 287 No H-bonds generated for 'chain '5' and resid 285 through 287' Processing helix chain '6' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN 6 17 " --> pdb=" O HIS 6 13 " (cutoff:3.500A) Processing helix chain '6' and resid 34 through 40 removed outlier: 3.704A pdb=" N HIS 6 38 " --> pdb=" O ARG 6 34 " (cutoff:3.500A) Processing helix chain '6' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE 6 61 " --> pdb=" O THR 6 58 " (cutoff:3.500A) Processing helix chain '6' and resid 100 through 106 Processing helix chain '6' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE 6 133 " --> pdb=" O GLU 6 129 " (cutoff:3.500A) Processing helix chain '6' and resid 139 through 144 Processing helix chain '6' and resid 145 through 147 No H-bonds generated for 'chain '6' and resid 145 through 147' Processing helix chain '6' and resid 158 through 169 Processing helix chain '6' and resid 179 through 193 Processing helix chain '6' and resid 285 through 287 No H-bonds generated for 'chain '6' and resid 285 through 287' Processing helix chain '7' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN 7 17 " --> pdb=" O HIS 7 13 " (cutoff:3.500A) Processing helix chain '7' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS 7 38 " --> pdb=" O ARG 7 34 " (cutoff:3.500A) Processing helix chain '7' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE 7 61 " --> pdb=" O THR 7 58 " (cutoff:3.500A) Processing helix chain '7' and resid 100 through 106 Processing helix chain '7' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE 7 133 " --> pdb=" O GLU 7 129 " (cutoff:3.500A) Processing helix chain '7' and resid 139 through 144 Processing helix chain '7' and resid 145 through 147 No H-bonds generated for 'chain '7' and resid 145 through 147' Processing helix chain '7' and resid 158 through 169 Processing helix chain '7' and resid 179 through 193 Processing helix chain '7' and resid 285 through 287 No H-bonds generated for 'chain '7' and resid 285 through 287' Processing helix chain '8' and resid 11 through 17 removed outlier: 4.120A pdb=" N GLN 8 17 " --> pdb=" O HIS 8 13 " (cutoff:3.500A) Processing helix chain '8' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS 8 38 " --> pdb=" O ARG 8 34 " (cutoff:3.500A) Processing helix chain '8' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE 8 61 " --> pdb=" O THR 8 58 " (cutoff:3.500A) Processing helix chain '8' and resid 100 through 106 Processing helix chain '8' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE 8 133 " --> pdb=" O GLU 8 129 " (cutoff:3.500A) Processing helix chain '8' and resid 139 through 144 Processing helix chain '8' and resid 145 through 147 No H-bonds generated for 'chain '8' and resid 145 through 147' Processing helix chain '8' and resid 158 through 169 Processing helix chain '8' and resid 179 through 193 Processing helix chain '8' and resid 285 through 287 No H-bonds generated for 'chain '8' and resid 285 through 287' Processing helix chain '9' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN 9 17 " --> pdb=" O HIS 9 13 " (cutoff:3.500A) Processing helix chain '9' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS 9 38 " --> pdb=" O ARG 9 34 " (cutoff:3.500A) Processing helix chain '9' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE 9 61 " --> pdb=" O THR 9 58 " (cutoff:3.500A) Processing helix chain '9' and resid 100 through 106 Processing helix chain '9' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE 9 133 " --> pdb=" O GLU 9 129 " (cutoff:3.500A) Processing helix chain '9' and resid 139 through 144 Processing helix chain '9' and resid 145 through 147 No H-bonds generated for 'chain '9' and resid 145 through 147' Processing helix chain '9' and resid 158 through 169 Processing helix chain '9' and resid 179 through 193 Processing helix chain '9' and resid 285 through 287 No H-bonds generated for 'chain '9' and resid 285 through 287' Processing helix chain 'a' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN a 17 " --> pdb=" O HIS a 13 " (cutoff:3.500A) Processing helix chain 'a' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS a 38 " --> pdb=" O ARG a 34 " (cutoff:3.500A) Processing helix chain 'a' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE a 61 " --> pdb=" O THR a 58 " (cutoff:3.500A) Processing helix chain 'a' and resid 100 through 106 Processing helix chain 'a' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE a 133 " --> pdb=" O GLU a 129 " (cutoff:3.500A) Processing helix chain 'a' and resid 139 through 144 Processing helix chain 'a' and resid 145 through 147 No H-bonds generated for 'chain 'a' and resid 145 through 147' Processing helix chain 'a' and resid 158 through 169 Processing helix chain 'a' and resid 179 through 193 Processing helix chain 'a' and resid 285 through 287 No H-bonds generated for 'chain 'a' and resid 285 through 287' Processing helix chain 'b' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN b 17 " --> pdb=" O HIS b 13 " (cutoff:3.500A) Processing helix chain 'b' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS b 38 " --> pdb=" O ARG b 34 " (cutoff:3.500A) Processing helix chain 'b' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE b 61 " --> pdb=" O THR b 58 " (cutoff:3.500A) Processing helix chain 'b' and resid 100 through 106 Processing helix chain 'b' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE b 133 " --> pdb=" O GLU b 129 " (cutoff:3.500A) Processing helix chain 'b' and resid 139 through 144 Processing helix chain 'b' and resid 145 through 147 No H-bonds generated for 'chain 'b' and resid 145 through 147' Processing helix chain 'b' and resid 158 through 169 Processing helix chain 'b' and resid 179 through 193 Processing helix chain 'b' and resid 285 through 287 No H-bonds generated for 'chain 'b' and resid 285 through 287' Processing helix chain 'c' and resid 11 through 17 removed outlier: 4.120A pdb=" N GLN c 17 " --> pdb=" O HIS c 13 " (cutoff:3.500A) Processing helix chain 'c' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS c 38 " --> pdb=" O ARG c 34 " (cutoff:3.500A) Processing helix chain 'c' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE c 61 " --> pdb=" O THR c 58 " (cutoff:3.500A) Processing helix chain 'c' and resid 100 through 106 Processing helix chain 'c' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE c 133 " --> pdb=" O GLU c 129 " (cutoff:3.500A) Processing helix chain 'c' and resid 139 through 144 Processing helix chain 'c' and resid 145 through 147 No H-bonds generated for 'chain 'c' and resid 145 through 147' Processing helix chain 'c' and resid 158 through 169 Processing helix chain 'c' and resid 179 through 193 Processing helix chain 'c' and resid 285 through 287 No H-bonds generated for 'chain 'c' and resid 285 through 287' Processing helix chain 'd' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN d 17 " --> pdb=" O HIS d 13 " (cutoff:3.500A) Processing helix chain 'd' and resid 34 through 40 removed outlier: 3.704A pdb=" N HIS d 38 " --> pdb=" O ARG d 34 " (cutoff:3.500A) Processing helix chain 'd' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE d 61 " --> pdb=" O THR d 58 " (cutoff:3.500A) Processing helix chain 'd' and resid 100 through 106 Processing helix chain 'd' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE d 133 " --> pdb=" O GLU d 129 " (cutoff:3.500A) Processing helix chain 'd' and resid 139 through 144 Processing helix chain 'd' and resid 145 through 147 No H-bonds generated for 'chain 'd' and resid 145 through 147' Processing helix chain 'd' and resid 158 through 169 Processing helix chain 'd' and resid 179 through 193 Processing helix chain 'd' and resid 285 through 287 No H-bonds generated for 'chain 'd' and resid 285 through 287' Processing helix chain 'e' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN e 17 " --> pdb=" O HIS e 13 " (cutoff:3.500A) Processing helix chain 'e' and resid 34 through 40 removed outlier: 3.704A pdb=" N HIS e 38 " --> pdb=" O ARG e 34 " (cutoff:3.500A) Processing helix chain 'e' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE e 61 " --> pdb=" O THR e 58 " (cutoff:3.500A) Processing helix chain 'e' and resid 100 through 106 Processing helix chain 'e' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE e 133 " --> pdb=" O GLU e 129 " (cutoff:3.500A) Processing helix chain 'e' and resid 139 through 144 Processing helix chain 'e' and resid 145 through 147 No H-bonds generated for 'chain 'e' and resid 145 through 147' Processing helix chain 'e' and resid 158 through 169 Processing helix chain 'e' and resid 179 through 193 Processing helix chain 'e' and resid 285 through 287 No H-bonds generated for 'chain 'e' and resid 285 through 287' Processing helix chain 'f' and resid 11 through 17 removed outlier: 4.120A pdb=" N GLN f 17 " --> pdb=" O HIS f 13 " (cutoff:3.500A) Processing helix chain 'f' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS f 38 " --> pdb=" O ARG f 34 " (cutoff:3.500A) Processing helix chain 'f' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE f 61 " --> pdb=" O THR f 58 " (cutoff:3.500A) Processing helix chain 'f' and resid 100 through 106 Processing helix chain 'f' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE f 133 " --> pdb=" O GLU f 129 " (cutoff:3.500A) Processing helix chain 'f' and resid 139 through 144 Processing helix chain 'f' and resid 145 through 147 No H-bonds generated for 'chain 'f' and resid 145 through 147' Processing helix chain 'f' and resid 158 through 169 Processing helix chain 'f' and resid 179 through 193 Processing helix chain 'f' and resid 285 through 287 No H-bonds generated for 'chain 'f' and resid 285 through 287' Processing helix chain 'g' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN g 17 " --> pdb=" O HIS g 13 " (cutoff:3.500A) Processing helix chain 'g' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS g 38 " --> pdb=" O ARG g 34 " (cutoff:3.500A) Processing helix chain 'g' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE g 61 " --> pdb=" O THR g 58 " (cutoff:3.500A) Processing helix chain 'g' and resid 100 through 106 Processing helix chain 'g' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE g 133 " --> pdb=" O GLU g 129 " (cutoff:3.500A) Processing helix chain 'g' and resid 139 through 144 Processing helix chain 'g' and resid 145 through 147 No H-bonds generated for 'chain 'g' and resid 145 through 147' Processing helix chain 'g' and resid 158 through 169 Processing helix chain 'g' and resid 179 through 193 Processing helix chain 'g' and resid 285 through 287 No H-bonds generated for 'chain 'g' and resid 285 through 287' Processing helix chain 'h' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN h 17 " --> pdb=" O HIS h 13 " (cutoff:3.500A) Processing helix chain 'h' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS h 38 " --> pdb=" O ARG h 34 " (cutoff:3.500A) Processing helix chain 'h' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE h 61 " --> pdb=" O THR h 58 " (cutoff:3.500A) Processing helix chain 'h' and resid 100 through 106 Processing helix chain 'h' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE h 133 " --> pdb=" O GLU h 129 " (cutoff:3.500A) Processing helix chain 'h' and resid 139 through 144 Processing helix chain 'h' and resid 145 through 147 No H-bonds generated for 'chain 'h' and resid 145 through 147' Processing helix chain 'h' and resid 158 through 169 Processing helix chain 'h' and resid 179 through 193 Processing helix chain 'h' and resid 285 through 287 No H-bonds generated for 'chain 'h' and resid 285 through 287' Processing helix chain 'i' and resid 11 through 17 removed outlier: 4.120A pdb=" N GLN i 17 " --> pdb=" O HIS i 13 " (cutoff:3.500A) Processing helix chain 'i' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS i 38 " --> pdb=" O ARG i 34 " (cutoff:3.500A) Processing helix chain 'i' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE i 61 " --> pdb=" O THR i 58 " (cutoff:3.500A) Processing helix chain 'i' and resid 100 through 106 Processing helix chain 'i' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE i 133 " --> pdb=" O GLU i 129 " (cutoff:3.500A) Processing helix chain 'i' and resid 139 through 144 Processing helix chain 'i' and resid 145 through 147 No H-bonds generated for 'chain 'i' and resid 145 through 147' Processing helix chain 'i' and resid 158 through 169 Processing helix chain 'i' and resid 179 through 193 Processing helix chain 'i' and resid 285 through 287 No H-bonds generated for 'chain 'i' and resid 285 through 287' Processing helix chain 'j' and resid 11 through 17 removed outlier: 4.120A pdb=" N GLN j 17 " --> pdb=" O HIS j 13 " (cutoff:3.500A) Processing helix chain 'j' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS j 38 " --> pdb=" O ARG j 34 " (cutoff:3.500A) Processing helix chain 'j' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE j 61 " --> pdb=" O THR j 58 " (cutoff:3.500A) Processing helix chain 'j' and resid 100 through 106 Processing helix chain 'j' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE j 133 " --> pdb=" O GLU j 129 " (cutoff:3.500A) Processing helix chain 'j' and resid 139 through 144 Processing helix chain 'j' and resid 145 through 147 No H-bonds generated for 'chain 'j' and resid 145 through 147' Processing helix chain 'j' and resid 158 through 169 Processing helix chain 'j' and resid 179 through 193 Processing helix chain 'j' and resid 285 through 287 No H-bonds generated for 'chain 'j' and resid 285 through 287' Processing helix chain 'k' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN k 17 " --> pdb=" O HIS k 13 " (cutoff:3.500A) Processing helix chain 'k' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS k 38 " --> pdb=" O ARG k 34 " (cutoff:3.500A) Processing helix chain 'k' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE k 61 " --> pdb=" O THR k 58 " (cutoff:3.500A) Processing helix chain 'k' and resid 100 through 106 Processing helix chain 'k' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE k 133 " --> pdb=" O GLU k 129 " (cutoff:3.500A) Processing helix chain 'k' and resid 139 through 144 Processing helix chain 'k' and resid 145 through 147 No H-bonds generated for 'chain 'k' and resid 145 through 147' Processing helix chain 'k' and resid 158 through 169 Processing helix chain 'k' and resid 179 through 193 Processing helix chain 'k' and resid 285 through 287 No H-bonds generated for 'chain 'k' and resid 285 through 287' Processing helix chain 'l' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN l 17 " --> pdb=" O HIS l 13 " (cutoff:3.500A) Processing helix chain 'l' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS l 38 " --> pdb=" O ARG l 34 " (cutoff:3.500A) Processing helix chain 'l' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE l 61 " --> pdb=" O THR l 58 " (cutoff:3.500A) Processing helix chain 'l' and resid 100 through 106 Processing helix chain 'l' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE l 133 " --> pdb=" O GLU l 129 " (cutoff:3.500A) Processing helix chain 'l' and resid 139 through 144 Processing helix chain 'l' and resid 145 through 147 No H-bonds generated for 'chain 'l' and resid 145 through 147' Processing helix chain 'l' and resid 158 through 169 Processing helix chain 'l' and resid 179 through 193 Processing helix chain 'l' and resid 285 through 287 No H-bonds generated for 'chain 'l' and resid 285 through 287' Processing helix chain 'm' and resid 11 through 17 removed outlier: 4.120A pdb=" N GLN m 17 " --> pdb=" O HIS m 13 " (cutoff:3.500A) Processing helix chain 'm' and resid 34 through 40 removed outlier: 3.704A pdb=" N HIS m 38 " --> pdb=" O ARG m 34 " (cutoff:3.500A) Processing helix chain 'm' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE m 61 " --> pdb=" O THR m 58 " (cutoff:3.500A) Processing helix chain 'm' and resid 100 through 106 Processing helix chain 'm' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE m 133 " --> pdb=" O GLU m 129 " (cutoff:3.500A) Processing helix chain 'm' and resid 139 through 144 Processing helix chain 'm' and resid 145 through 147 No H-bonds generated for 'chain 'm' and resid 145 through 147' Processing helix chain 'm' and resid 158 through 169 Processing helix chain 'm' and resid 179 through 193 Processing helix chain 'm' and resid 285 through 287 No H-bonds generated for 'chain 'm' and resid 285 through 287' Processing helix chain 'n' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN n 17 " --> pdb=" O HIS n 13 " (cutoff:3.500A) Processing helix chain 'n' and resid 34 through 40 removed outlier: 3.704A pdb=" N HIS n 38 " --> pdb=" O ARG n 34 " (cutoff:3.500A) Processing helix chain 'n' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE n 61 " --> pdb=" O THR n 58 " (cutoff:3.500A) Processing helix chain 'n' and resid 100 through 106 Processing helix chain 'n' and resid 111 through 135 removed outlier: 3.689A pdb=" N ILE n 133 " --> pdb=" O GLU n 129 " (cutoff:3.500A) Processing helix chain 'n' and resid 139 through 144 Processing helix chain 'n' and resid 145 through 147 No H-bonds generated for 'chain 'n' and resid 145 through 147' Processing helix chain 'n' and resid 158 through 169 Processing helix chain 'n' and resid 179 through 193 Processing helix chain 'n' and resid 285 through 287 No H-bonds generated for 'chain 'n' and resid 285 through 287' Processing helix chain 'o' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN o 17 " --> pdb=" O HIS o 13 " (cutoff:3.500A) Processing helix chain 'o' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS o 38 " --> pdb=" O ARG o 34 " (cutoff:3.500A) Processing helix chain 'o' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE o 61 " --> pdb=" O THR o 58 " (cutoff:3.500A) Processing helix chain 'o' and resid 100 through 106 Processing helix chain 'o' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE o 133 " --> pdb=" O GLU o 129 " (cutoff:3.500A) Processing helix chain 'o' and resid 139 through 144 Processing helix chain 'o' and resid 145 through 147 No H-bonds generated for 'chain 'o' and resid 145 through 147' Processing helix chain 'o' and resid 158 through 169 Processing helix chain 'o' and resid 179 through 193 Processing helix chain 'o' and resid 285 through 287 No H-bonds generated for 'chain 'o' and resid 285 through 287' Processing helix chain 'p' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN p 17 " --> pdb=" O HIS p 13 " (cutoff:3.500A) Processing helix chain 'p' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS p 38 " --> pdb=" O ARG p 34 " (cutoff:3.500A) Processing helix chain 'p' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE p 61 " --> pdb=" O THR p 58 " (cutoff:3.500A) Processing helix chain 'p' and resid 100 through 106 Processing helix chain 'p' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE p 133 " --> pdb=" O GLU p 129 " (cutoff:3.500A) Processing helix chain 'p' and resid 139 through 144 Processing helix chain 'p' and resid 145 through 147 No H-bonds generated for 'chain 'p' and resid 145 through 147' Processing helix chain 'p' and resid 158 through 169 Processing helix chain 'p' and resid 179 through 193 Processing helix chain 'p' and resid 285 through 287 No H-bonds generated for 'chain 'p' and resid 285 through 287' Processing helix chain 'q' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN q 17 " --> pdb=" O HIS q 13 " (cutoff:3.500A) Processing helix chain 'q' and resid 34 through 40 removed outlier: 3.704A pdb=" N HIS q 38 " --> pdb=" O ARG q 34 " (cutoff:3.500A) Processing helix chain 'q' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE q 61 " --> pdb=" O THR q 58 " (cutoff:3.500A) Processing helix chain 'q' and resid 100 through 106 Processing helix chain 'q' and resid 111 through 135 removed outlier: 3.691A pdb=" N ILE q 133 " --> pdb=" O GLU q 129 " (cutoff:3.500A) Processing helix chain 'q' and resid 139 through 144 Processing helix chain 'q' and resid 145 through 147 No H-bonds generated for 'chain 'q' and resid 145 through 147' Processing helix chain 'q' and resid 158 through 169 Processing helix chain 'q' and resid 179 through 193 Processing helix chain 'q' and resid 285 through 287 No H-bonds generated for 'chain 'q' and resid 285 through 287' Processing helix chain 'r' and resid 11 through 17 removed outlier: 4.120A pdb=" N GLN r 17 " --> pdb=" O HIS r 13 " (cutoff:3.500A) Processing helix chain 'r' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS r 38 " --> pdb=" O ARG r 34 " (cutoff:3.500A) Processing helix chain 'r' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE r 61 " --> pdb=" O THR r 58 " (cutoff:3.500A) Processing helix chain 'r' and resid 100 through 106 Processing helix chain 'r' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE r 133 " --> pdb=" O GLU r 129 " (cutoff:3.500A) Processing helix chain 'r' and resid 139 through 144 Processing helix chain 'r' and resid 145 through 147 No H-bonds generated for 'chain 'r' and resid 145 through 147' Processing helix chain 'r' and resid 158 through 169 Processing helix chain 'r' and resid 179 through 193 Processing helix chain 'r' and resid 285 through 287 No H-bonds generated for 'chain 'r' and resid 285 through 287' Processing helix chain 's' and resid 11 through 17 removed outlier: 4.120A pdb=" N GLN s 17 " --> pdb=" O HIS s 13 " (cutoff:3.500A) Processing helix chain 's' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS s 38 " --> pdb=" O ARG s 34 " (cutoff:3.500A) Processing helix chain 's' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE s 61 " --> pdb=" O THR s 58 " (cutoff:3.500A) Processing helix chain 's' and resid 100 through 106 Processing helix chain 's' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE s 133 " --> pdb=" O GLU s 129 " (cutoff:3.500A) Processing helix chain 's' and resid 139 through 144 Processing helix chain 's' and resid 145 through 147 No H-bonds generated for 'chain 's' and resid 145 through 147' Processing helix chain 's' and resid 158 through 169 Processing helix chain 's' and resid 179 through 193 Processing helix chain 's' and resid 285 through 287 No H-bonds generated for 'chain 's' and resid 285 through 287' Processing helix chain 't' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN t 17 " --> pdb=" O HIS t 13 " (cutoff:3.500A) Processing helix chain 't' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS t 38 " --> pdb=" O ARG t 34 " (cutoff:3.500A) Processing helix chain 't' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE t 61 " --> pdb=" O THR t 58 " (cutoff:3.500A) Processing helix chain 't' and resid 100 through 106 Processing helix chain 't' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE t 133 " --> pdb=" O GLU t 129 " (cutoff:3.500A) Processing helix chain 't' and resid 139 through 144 Processing helix chain 't' and resid 145 through 147 No H-bonds generated for 'chain 't' and resid 145 through 147' Processing helix chain 't' and resid 158 through 169 Processing helix chain 't' and resid 179 through 193 Processing helix chain 't' and resid 285 through 287 No H-bonds generated for 'chain 't' and resid 285 through 287' Processing helix chain 'u' and resid 11 through 17 removed outlier: 4.120A pdb=" N GLN u 17 " --> pdb=" O HIS u 13 " (cutoff:3.500A) Processing helix chain 'u' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS u 38 " --> pdb=" O ARG u 34 " (cutoff:3.500A) Processing helix chain 'u' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE u 61 " --> pdb=" O THR u 58 " (cutoff:3.500A) Processing helix chain 'u' and resid 100 through 106 Processing helix chain 'u' and resid 111 through 135 removed outlier: 3.689A pdb=" N ILE u 133 " --> pdb=" O GLU u 129 " (cutoff:3.500A) Processing helix chain 'u' and resid 139 through 144 Processing helix chain 'u' and resid 145 through 147 No H-bonds generated for 'chain 'u' and resid 145 through 147' Processing helix chain 'u' and resid 158 through 169 Processing helix chain 'u' and resid 179 through 193 Processing helix chain 'u' and resid 285 through 287 No H-bonds generated for 'chain 'u' and resid 285 through 287' Processing helix chain 'v' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN v 17 " --> pdb=" O HIS v 13 " (cutoff:3.500A) Processing helix chain 'v' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS v 38 " --> pdb=" O ARG v 34 " (cutoff:3.500A) Processing helix chain 'v' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE v 61 " --> pdb=" O THR v 58 " (cutoff:3.500A) Processing helix chain 'v' and resid 100 through 106 Processing helix chain 'v' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE v 133 " --> pdb=" O GLU v 129 " (cutoff:3.500A) Processing helix chain 'v' and resid 139 through 144 Processing helix chain 'v' and resid 145 through 147 No H-bonds generated for 'chain 'v' and resid 145 through 147' Processing helix chain 'v' and resid 158 through 169 Processing helix chain 'v' and resid 179 through 193 Processing helix chain 'v' and resid 285 through 287 No H-bonds generated for 'chain 'v' and resid 285 through 287' Processing helix chain 'w' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN w 17 " --> pdb=" O HIS w 13 " (cutoff:3.500A) Processing helix chain 'w' and resid 34 through 40 removed outlier: 3.704A pdb=" N HIS w 38 " --> pdb=" O ARG w 34 " (cutoff:3.500A) Processing helix chain 'w' and resid 57 through 61 removed outlier: 3.591A pdb=" N ILE w 61 " --> pdb=" O THR w 58 " (cutoff:3.500A) Processing helix chain 'w' and resid 100 through 106 Processing helix chain 'w' and resid 111 through 135 removed outlier: 3.690A pdb=" N ILE w 133 " --> pdb=" O GLU w 129 " (cutoff:3.500A) Processing helix chain 'w' and resid 139 through 144 Processing helix chain 'w' and resid 145 through 147 No H-bonds generated for 'chain 'w' and resid 145 through 147' Processing helix chain 'w' and resid 158 through 169 Processing helix chain 'w' and resid 179 through 193 Processing helix chain 'w' and resid 285 through 287 No H-bonds generated for 'chain 'w' and resid 285 through 287' Processing helix chain 'x' and resid 11 through 17 removed outlier: 4.119A pdb=" N GLN x 17 " --> pdb=" O HIS x 13 " (cutoff:3.500A) Processing helix chain 'x' and resid 34 through 40 removed outlier: 3.703A pdb=" N HIS x 38 " --> pdb=" O ARG x 34 " (cutoff:3.500A) Processing helix chain 'x' and resid 57 through 61 removed outlier: 3.590A pdb=" N ILE x 61 " --> pdb=" O THR x 58 " (cutoff:3.500A) Processing helix chain 'x' and resid 100 through 106 Processing helix chain 'x' and resid 111 through 135 removed outlier: 3.691A pdb=" N ILE x 133 " --> pdb=" O GLU x 129 " (cutoff:3.500A) Processing helix chain 'x' and resid 139 through 144 Processing helix chain 'x' and resid 145 through 147 No H-bonds generated for 'chain 'x' and resid 145 through 147' Processing helix chain 'x' and resid 158 through 169 Processing helix chain 'x' and resid 179 through 193 Processing helix chain 'x' and resid 285 through 287 No H-bonds generated for 'chain 'x' and resid 285 through 287' Processing sheet with id= 1, first strand: chain 'A' and resid 42 through 44 Processing sheet with id= 2, first strand: chain 'A' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE A 270 " --> pdb=" O ILE A 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE A 265 " --> pdb=" O ILE A 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER A 272 " --> pdb=" O MET A 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER A 255 " --> pdb=" O LEU A 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL A 260 " --> pdb=" O GLU A 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU A 253 " --> pdb=" O VAL A 260 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain 'A' and resid 49 through 51 Processing sheet with id= 4, first strand: chain 'A' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE A 150 " --> pdb=" O ASP A 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL A 295 " --> pdb=" O ILE A 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP A 294 " --> pdb=" O THR A 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR A 228 " --> pdb=" O ASP A 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE A 208 " --> pdb=" O LEU A 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN A 206 " --> pdb=" O PRO A 217 " (cutoff:3.500A) Processing sheet with id= 5, first strand: chain 'B' and resid 42 through 44 Processing sheet with id= 6, first strand: chain 'B' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE B 270 " --> pdb=" O ILE B 265 " (cutoff:3.500A) removed outlier: 4.466A pdb=" N ILE B 265 " --> pdb=" O ILE B 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER B 272 " --> pdb=" O MET B 263 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N SER B 255 " --> pdb=" O LEU B 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL B 260 " --> pdb=" O GLU B 253 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N GLU B 253 " --> pdb=" O VAL B 260 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'B' and resid 49 through 51 Processing sheet with id= 8, first strand: chain 'B' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE B 150 " --> pdb=" O ASP B 293 " (cutoff:3.500A) removed outlier: 7.589A pdb=" N VAL B 295 " --> pdb=" O ILE B 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP B 294 " --> pdb=" O THR B 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR B 228 " --> pdb=" O ASP B 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE B 208 " --> pdb=" O LEU B 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN B 206 " --> pdb=" O PRO B 217 " (cutoff:3.500A) Processing sheet with id= 9, first strand: chain 'C' and resid 42 through 44 Processing sheet with id= 10, first strand: chain 'C' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE C 270 " --> pdb=" O ILE C 265 " (cutoff:3.500A) removed outlier: 4.466A pdb=" N ILE C 265 " --> pdb=" O ILE C 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER C 272 " --> pdb=" O MET C 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER C 255 " --> pdb=" O LEU C 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL C 260 " --> pdb=" O GLU C 253 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N GLU C 253 " --> pdb=" O VAL C 260 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'C' and resid 49 through 51 Processing sheet with id= 12, first strand: chain 'C' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE C 150 " --> pdb=" O ASP C 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL C 295 " --> pdb=" O ILE C 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP C 294 " --> pdb=" O THR C 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR C 228 " --> pdb=" O ASP C 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE C 208 " --> pdb=" O LEU C 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN C 206 " --> pdb=" O PRO C 217 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'D' and resid 42 through 44 Processing sheet with id= 14, first strand: chain 'D' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE D 270 " --> pdb=" O ILE D 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE D 265 " --> pdb=" O ILE D 270 " (cutoff:3.500A) removed outlier: 6.452A pdb=" N SER D 272 " --> pdb=" O MET D 263 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N SER D 255 " --> pdb=" O LEU D 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL D 260 " --> pdb=" O GLU D 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU D 253 " --> pdb=" O VAL D 260 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'D' and resid 49 through 51 Processing sheet with id= 16, first strand: chain 'D' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE D 150 " --> pdb=" O ASP D 293 " (cutoff:3.500A) removed outlier: 7.589A pdb=" N VAL D 295 " --> pdb=" O ILE D 150 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASP D 294 " --> pdb=" O THR D 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR D 228 " --> pdb=" O ASP D 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE D 208 " --> pdb=" O LEU D 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN D 206 " --> pdb=" O PRO D 217 " (cutoff:3.500A) Processing sheet with id= 17, first strand: chain 'E' and resid 42 through 44 Processing sheet with id= 18, first strand: chain 'E' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE E 270 " --> pdb=" O ILE E 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE E 265 " --> pdb=" O ILE E 270 " (cutoff:3.500A) removed outlier: 6.452A pdb=" N SER E 272 " --> pdb=" O MET E 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER E 255 " --> pdb=" O LEU E 258 " (cutoff:3.500A) removed outlier: 6.458A pdb=" N VAL E 260 " --> pdb=" O GLU E 253 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N GLU E 253 " --> pdb=" O VAL E 260 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'E' and resid 49 through 51 Processing sheet with id= 20, first strand: chain 'E' and resid 149 through 151 removed outlier: 7.053A pdb=" N ILE E 150 " --> pdb=" O ASP E 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL E 295 " --> pdb=" O ILE E 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP E 294 " --> pdb=" O THR E 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR E 228 " --> pdb=" O ASP E 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE E 208 " --> pdb=" O LEU E 215 " (cutoff:3.500A) removed outlier: 11.481A pdb=" N GLN E 206 " --> pdb=" O PRO E 217 " (cutoff:3.500A) Processing sheet with id= 21, first strand: chain 'F' and resid 42 through 44 Processing sheet with id= 22, first strand: chain 'F' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE F 270 " --> pdb=" O ILE F 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE F 265 " --> pdb=" O ILE F 270 " (cutoff:3.500A) removed outlier: 6.452A pdb=" N SER F 272 " --> pdb=" O MET F 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER F 255 " --> pdb=" O LEU F 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL F 260 " --> pdb=" O GLU F 253 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N GLU F 253 " --> pdb=" O VAL F 260 " (cutoff:3.500A) Processing sheet with id= 23, first strand: chain 'F' and resid 49 through 51 Processing sheet with id= 24, first strand: chain 'F' and resid 149 through 151 removed outlier: 7.053A pdb=" N ILE F 150 " --> pdb=" O ASP F 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL F 295 " --> pdb=" O ILE F 150 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N ASP F 294 " --> pdb=" O THR F 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR F 228 " --> pdb=" O ASP F 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE F 208 " --> pdb=" O LEU F 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN F 206 " --> pdb=" O PRO F 217 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'G' and resid 42 through 44 Processing sheet with id= 26, first strand: chain 'G' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE G 270 " --> pdb=" O ILE G 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE G 265 " --> pdb=" O ILE G 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER G 272 " --> pdb=" O MET G 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER G 255 " --> pdb=" O LEU G 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL G 260 " --> pdb=" O GLU G 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU G 253 " --> pdb=" O VAL G 260 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'G' and resid 49 through 51 Processing sheet with id= 28, first strand: chain 'G' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE G 150 " --> pdb=" O ASP G 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL G 295 " --> pdb=" O ILE G 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP G 294 " --> pdb=" O THR G 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR G 228 " --> pdb=" O ASP G 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE G 208 " --> pdb=" O LEU G 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN G 206 " --> pdb=" O PRO G 217 " (cutoff:3.500A) Processing sheet with id= 29, first strand: chain 'H' and resid 42 through 44 Processing sheet with id= 30, first strand: chain 'H' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE H 270 " --> pdb=" O ILE H 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE H 265 " --> pdb=" O ILE H 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER H 272 " --> pdb=" O MET H 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER H 255 " --> pdb=" O LEU H 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL H 260 " --> pdb=" O GLU H 253 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N GLU H 253 " --> pdb=" O VAL H 260 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'H' and resid 49 through 51 Processing sheet with id= 32, first strand: chain 'H' and resid 149 through 151 removed outlier: 7.055A pdb=" N ILE H 150 " --> pdb=" O ASP H 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL H 295 " --> pdb=" O ILE H 150 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASP H 294 " --> pdb=" O THR H 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR H 228 " --> pdb=" O ASP H 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE H 208 " --> pdb=" O LEU H 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN H 206 " --> pdb=" O PRO H 217 " (cutoff:3.500A) Processing sheet with id= 33, first strand: chain 'I' and resid 42 through 44 Processing sheet with id= 34, first strand: chain 'I' and resid 42 through 44 removed outlier: 6.125A pdb=" N ILE I 270 " --> pdb=" O ILE I 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE I 265 " --> pdb=" O ILE I 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER I 272 " --> pdb=" O MET I 263 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N SER I 255 " --> pdb=" O LEU I 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL I 260 " --> pdb=" O GLU I 253 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N GLU I 253 " --> pdb=" O VAL I 260 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'I' and resid 49 through 51 Processing sheet with id= 36, first strand: chain 'I' and resid 149 through 151 removed outlier: 7.055A pdb=" N ILE I 150 " --> pdb=" O ASP I 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL I 295 " --> pdb=" O ILE I 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP I 294 " --> pdb=" O THR I 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR I 228 " --> pdb=" O ASP I 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE I 208 " --> pdb=" O LEU I 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN I 206 " --> pdb=" O PRO I 217 " (cutoff:3.500A) Processing sheet with id= 37, first strand: chain 'J' and resid 42 through 44 Processing sheet with id= 38, first strand: chain 'J' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE J 270 " --> pdb=" O ILE J 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE J 265 " --> pdb=" O ILE J 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER J 272 " --> pdb=" O MET J 263 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N SER J 255 " --> pdb=" O LEU J 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL J 260 " --> pdb=" O GLU J 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU J 253 " --> pdb=" O VAL J 260 " (cutoff:3.500A) Processing sheet with id= 39, first strand: chain 'J' and resid 49 through 51 Processing sheet with id= 40, first strand: chain 'J' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE J 150 " --> pdb=" O ASP J 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL J 295 " --> pdb=" O ILE J 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP J 294 " --> pdb=" O THR J 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR J 228 " --> pdb=" O ASP J 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE J 208 " --> pdb=" O LEU J 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN J 206 " --> pdb=" O PRO J 217 " (cutoff:3.500A) Processing sheet with id= 41, first strand: chain 'K' and resid 42 through 44 Processing sheet with id= 42, first strand: chain 'K' and resid 42 through 44 removed outlier: 6.123A pdb=" N ILE K 270 " --> pdb=" O ILE K 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE K 265 " --> pdb=" O ILE K 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER K 272 " --> pdb=" O MET K 263 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N SER K 255 " --> pdb=" O LEU K 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL K 260 " --> pdb=" O GLU K 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU K 253 " --> pdb=" O VAL K 260 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'K' and resid 49 through 51 Processing sheet with id= 44, first strand: chain 'K' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE K 150 " --> pdb=" O ASP K 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL K 295 " --> pdb=" O ILE K 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP K 294 " --> pdb=" O THR K 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR K 228 " --> pdb=" O ASP K 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE K 208 " --> pdb=" O LEU K 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN K 206 " --> pdb=" O PRO K 217 " (cutoff:3.500A) Processing sheet with id= 45, first strand: chain 'L' and resid 42 through 44 Processing sheet with id= 46, first strand: chain 'L' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE L 270 " --> pdb=" O ILE L 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE L 265 " --> pdb=" O ILE L 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER L 272 " --> pdb=" O MET L 263 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N SER L 255 " --> pdb=" O LEU L 258 " (cutoff:3.500A) removed outlier: 6.458A pdb=" N VAL L 260 " --> pdb=" O GLU L 253 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N GLU L 253 " --> pdb=" O VAL L 260 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'L' and resid 49 through 51 Processing sheet with id= 48, first strand: chain 'L' and resid 149 through 151 removed outlier: 7.053A pdb=" N ILE L 150 " --> pdb=" O ASP L 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL L 295 " --> pdb=" O ILE L 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP L 294 " --> pdb=" O THR L 228 " (cutoff:3.500A) removed outlier: 6.085A pdb=" N THR L 228 " --> pdb=" O ASP L 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE L 208 " --> pdb=" O LEU L 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN L 206 " --> pdb=" O PRO L 217 " (cutoff:3.500A) Processing sheet with id= 49, first strand: chain 'M' and resid 42 through 44 Processing sheet with id= 50, first strand: chain 'M' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE M 270 " --> pdb=" O ILE M 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE M 265 " --> pdb=" O ILE M 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER M 272 " --> pdb=" O MET M 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER M 255 " --> pdb=" O LEU M 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL M 260 " --> pdb=" O GLU M 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU M 253 " --> pdb=" O VAL M 260 " (cutoff:3.500A) Processing sheet with id= 51, first strand: chain 'M' and resid 49 through 51 Processing sheet with id= 52, first strand: chain 'M' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE M 150 " --> pdb=" O ASP M 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL M 295 " --> pdb=" O ILE M 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP M 294 " --> pdb=" O THR M 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR M 228 " --> pdb=" O ASP M 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE M 208 " --> pdb=" O LEU M 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN M 206 " --> pdb=" O PRO M 217 " (cutoff:3.500A) Processing sheet with id= 53, first strand: chain 'N' and resid 42 through 44 Processing sheet with id= 54, first strand: chain 'N' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE N 270 " --> pdb=" O ILE N 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE N 265 " --> pdb=" O ILE N 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER N 272 " --> pdb=" O MET N 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER N 255 " --> pdb=" O LEU N 258 " (cutoff:3.500A) removed outlier: 6.458A pdb=" N VAL N 260 " --> pdb=" O GLU N 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU N 253 " --> pdb=" O VAL N 260 " (cutoff:3.500A) Processing sheet with id= 55, first strand: chain 'N' and resid 49 through 51 Processing sheet with id= 56, first strand: chain 'N' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE N 150 " --> pdb=" O ASP N 293 " (cutoff:3.500A) removed outlier: 7.589A pdb=" N VAL N 295 " --> pdb=" O ILE N 150 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASP N 294 " --> pdb=" O THR N 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR N 228 " --> pdb=" O ASP N 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE N 208 " --> pdb=" O LEU N 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN N 206 " --> pdb=" O PRO N 217 " (cutoff:3.500A) Processing sheet with id= 57, first strand: chain 'O' and resid 42 through 44 Processing sheet with id= 58, first strand: chain 'O' and resid 42 through 44 removed outlier: 6.123A pdb=" N ILE O 270 " --> pdb=" O ILE O 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE O 265 " --> pdb=" O ILE O 270 " (cutoff:3.500A) removed outlier: 6.450A pdb=" N SER O 272 " --> pdb=" O MET O 263 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N SER O 255 " --> pdb=" O LEU O 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL O 260 " --> pdb=" O GLU O 253 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N GLU O 253 " --> pdb=" O VAL O 260 " (cutoff:3.500A) Processing sheet with id= 59, first strand: chain 'O' and resid 49 through 51 Processing sheet with id= 60, first strand: chain 'O' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE O 150 " --> pdb=" O ASP O 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL O 295 " --> pdb=" O ILE O 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP O 294 " --> pdb=" O THR O 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR O 228 " --> pdb=" O ASP O 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE O 208 " --> pdb=" O LEU O 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN O 206 " --> pdb=" O PRO O 217 " (cutoff:3.500A) Processing sheet with id= 61, first strand: chain 'P' and resid 42 through 44 Processing sheet with id= 62, first strand: chain 'P' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE P 270 " --> pdb=" O ILE P 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE P 265 " --> pdb=" O ILE P 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER P 272 " --> pdb=" O MET P 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER P 255 " --> pdb=" O LEU P 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL P 260 " --> pdb=" O GLU P 253 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N GLU P 253 " --> pdb=" O VAL P 260 " (cutoff:3.500A) Processing sheet with id= 63, first strand: chain 'P' and resid 49 through 51 Processing sheet with id= 64, first strand: chain 'P' and resid 149 through 151 removed outlier: 7.055A pdb=" N ILE P 150 " --> pdb=" O ASP P 293 " (cutoff:3.500A) removed outlier: 7.589A pdb=" N VAL P 295 " --> pdb=" O ILE P 150 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASP P 294 " --> pdb=" O THR P 228 " (cutoff:3.500A) removed outlier: 6.083A pdb=" N THR P 228 " --> pdb=" O ASP P 294 " (cutoff:3.500A) removed outlier: 4.741A pdb=" N ILE P 208 " --> pdb=" O LEU P 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN P 206 " --> pdb=" O PRO P 217 " (cutoff:3.500A) Processing sheet with id= 65, first strand: chain 'Q' and resid 42 through 44 Processing sheet with id= 66, first strand: chain 'Q' and resid 42 through 44 removed outlier: 6.123A pdb=" N ILE Q 270 " --> pdb=" O ILE Q 265 " (cutoff:3.500A) removed outlier: 4.466A pdb=" N ILE Q 265 " --> pdb=" O ILE Q 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER Q 272 " --> pdb=" O MET Q 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER Q 255 " --> pdb=" O LEU Q 258 " (cutoff:3.500A) removed outlier: 6.458A pdb=" N VAL Q 260 " --> pdb=" O GLU Q 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU Q 253 " --> pdb=" O VAL Q 260 " (cutoff:3.500A) Processing sheet with id= 67, first strand: chain 'Q' and resid 49 through 51 Processing sheet with id= 68, first strand: chain 'Q' and resid 149 through 151 removed outlier: 7.055A pdb=" N ILE Q 150 " --> pdb=" O ASP Q 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL Q 295 " --> pdb=" O ILE Q 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP Q 294 " --> pdb=" O THR Q 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR Q 228 " --> pdb=" O ASP Q 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE Q 208 " --> pdb=" O LEU Q 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN Q 206 " --> pdb=" O PRO Q 217 " (cutoff:3.500A) Processing sheet with id= 69, first strand: chain 'R' and resid 42 through 44 Processing sheet with id= 70, first strand: chain 'R' and resid 42 through 44 removed outlier: 6.123A pdb=" N ILE R 270 " --> pdb=" O ILE R 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE R 265 " --> pdb=" O ILE R 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER R 272 " --> pdb=" O MET R 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER R 255 " --> pdb=" O LEU R 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL R 260 " --> pdb=" O GLU R 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU R 253 " --> pdb=" O VAL R 260 " (cutoff:3.500A) Processing sheet with id= 71, first strand: chain 'R' and resid 49 through 51 Processing sheet with id= 72, first strand: chain 'R' and resid 149 through 151 removed outlier: 7.055A pdb=" N ILE R 150 " --> pdb=" O ASP R 293 " (cutoff:3.500A) removed outlier: 7.589A pdb=" N VAL R 295 " --> pdb=" O ILE R 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP R 294 " --> pdb=" O THR R 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR R 228 " --> pdb=" O ASP R 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE R 208 " --> pdb=" O LEU R 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN R 206 " --> pdb=" O PRO R 217 " (cutoff:3.500A) Processing sheet with id= 73, first strand: chain 'S' and resid 42 through 44 Processing sheet with id= 74, first strand: chain 'S' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE S 270 " --> pdb=" O ILE S 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE S 265 " --> pdb=" O ILE S 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER S 272 " --> pdb=" O MET S 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER S 255 " --> pdb=" O LEU S 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL S 260 " --> pdb=" O GLU S 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU S 253 " --> pdb=" O VAL S 260 " (cutoff:3.500A) Processing sheet with id= 75, first strand: chain 'S' and resid 49 through 51 Processing sheet with id= 76, first strand: chain 'S' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE S 150 " --> pdb=" O ASP S 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL S 295 " --> pdb=" O ILE S 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP S 294 " --> pdb=" O THR S 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR S 228 " --> pdb=" O ASP S 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE S 208 " --> pdb=" O LEU S 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN S 206 " --> pdb=" O PRO S 217 " (cutoff:3.500A) Processing sheet with id= 77, first strand: chain 'T' and resid 42 through 44 Processing sheet with id= 78, first strand: chain 'T' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE T 270 " --> pdb=" O ILE T 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE T 265 " --> pdb=" O ILE T 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER T 272 " --> pdb=" O MET T 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER T 255 " --> pdb=" O LEU T 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL T 260 " --> pdb=" O GLU T 253 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N GLU T 253 " --> pdb=" O VAL T 260 " (cutoff:3.500A) Processing sheet with id= 79, first strand: chain 'T' and resid 49 through 51 Processing sheet with id= 80, first strand: chain 'T' and resid 149 through 151 removed outlier: 7.055A pdb=" N ILE T 150 " --> pdb=" O ASP T 293 " (cutoff:3.500A) removed outlier: 7.589A pdb=" N VAL T 295 " --> pdb=" O ILE T 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP T 294 " --> pdb=" O THR T 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR T 228 " --> pdb=" O ASP T 294 " (cutoff:3.500A) removed outlier: 4.741A pdb=" N ILE T 208 " --> pdb=" O LEU T 215 " (cutoff:3.500A) removed outlier: 11.481A pdb=" N GLN T 206 " --> pdb=" O PRO T 217 " (cutoff:3.500A) Processing sheet with id= 81, first strand: chain 'U' and resid 42 through 44 Processing sheet with id= 82, first strand: chain 'U' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE U 270 " --> pdb=" O ILE U 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE U 265 " --> pdb=" O ILE U 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER U 272 " --> pdb=" O MET U 263 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N SER U 255 " --> pdb=" O LEU U 258 " (cutoff:3.500A) removed outlier: 6.458A pdb=" N VAL U 260 " --> pdb=" O GLU U 253 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N GLU U 253 " --> pdb=" O VAL U 260 " (cutoff:3.500A) Processing sheet with id= 83, first strand: chain 'U' and resid 49 through 51 Processing sheet with id= 84, first strand: chain 'U' and resid 149 through 151 removed outlier: 7.053A pdb=" N ILE U 150 " --> pdb=" O ASP U 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL U 295 " --> pdb=" O ILE U 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP U 294 " --> pdb=" O THR U 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR U 228 " --> pdb=" O ASP U 294 " (cutoff:3.500A) removed outlier: 4.741A pdb=" N ILE U 208 " --> pdb=" O LEU U 215 " (cutoff:3.500A) removed outlier: 11.481A pdb=" N GLN U 206 " --> pdb=" O PRO U 217 " (cutoff:3.500A) Processing sheet with id= 85, first strand: chain 'V' and resid 42 through 44 Processing sheet with id= 86, first strand: chain 'V' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE V 270 " --> pdb=" O ILE V 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE V 265 " --> pdb=" O ILE V 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER V 272 " --> pdb=" O MET V 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER V 255 " --> pdb=" O LEU V 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL V 260 " --> pdb=" O GLU V 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU V 253 " --> pdb=" O VAL V 260 " (cutoff:3.500A) Processing sheet with id= 87, first strand: chain 'V' and resid 49 through 51 Processing sheet with id= 88, first strand: chain 'V' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE V 150 " --> pdb=" O ASP V 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL V 295 " --> pdb=" O ILE V 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP V 294 " --> pdb=" O THR V 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR V 228 " --> pdb=" O ASP V 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE V 208 " --> pdb=" O LEU V 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN V 206 " --> pdb=" O PRO V 217 " (cutoff:3.500A) Processing sheet with id= 89, first strand: chain 'W' and resid 42 through 44 Processing sheet with id= 90, first strand: chain 'W' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE W 270 " --> pdb=" O ILE W 265 " (cutoff:3.500A) removed outlier: 4.466A pdb=" N ILE W 265 " --> pdb=" O ILE W 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER W 272 " --> pdb=" O MET W 263 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N SER W 255 " --> pdb=" O LEU W 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL W 260 " --> pdb=" O GLU W 253 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N GLU W 253 " --> pdb=" O VAL W 260 " (cutoff:3.500A) Processing sheet with id= 91, first strand: chain 'W' and resid 49 through 51 Processing sheet with id= 92, first strand: chain 'W' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE W 150 " --> pdb=" O ASP W 293 " (cutoff:3.500A) removed outlier: 7.589A pdb=" N VAL W 295 " --> pdb=" O ILE W 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP W 294 " --> pdb=" O THR W 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR W 228 " --> pdb=" O ASP W 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE W 208 " --> pdb=" O LEU W 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN W 206 " --> pdb=" O PRO W 217 " (cutoff:3.500A) Processing sheet with id= 93, first strand: chain 'X' and resid 42 through 44 Processing sheet with id= 94, first strand: chain 'X' and resid 42 through 44 removed outlier: 6.123A pdb=" N ILE X 270 " --> pdb=" O ILE X 265 " (cutoff:3.500A) removed outlier: 4.466A pdb=" N ILE X 265 " --> pdb=" O ILE X 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER X 272 " --> pdb=" O MET X 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER X 255 " --> pdb=" O LEU X 258 " (cutoff:3.500A) removed outlier: 6.458A pdb=" N VAL X 260 " --> pdb=" O GLU X 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU X 253 " --> pdb=" O VAL X 260 " (cutoff:3.500A) Processing sheet with id= 95, first strand: chain 'X' and resid 49 through 51 Processing sheet with id= 96, first strand: chain 'X' and resid 149 through 151 removed outlier: 7.053A pdb=" N ILE X 150 " --> pdb=" O ASP X 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL X 295 " --> pdb=" O ILE X 150 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASP X 294 " --> pdb=" O THR X 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR X 228 " --> pdb=" O ASP X 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE X 208 " --> pdb=" O LEU X 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN X 206 " --> pdb=" O PRO X 217 " (cutoff:3.500A) Processing sheet with id= 97, first strand: chain 'Y' and resid 42 through 44 Processing sheet with id= 98, first strand: chain 'Y' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE Y 270 " --> pdb=" O ILE Y 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE Y 265 " --> pdb=" O ILE Y 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER Y 272 " --> pdb=" O MET Y 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER Y 255 " --> pdb=" O LEU Y 258 " (cutoff:3.500A) removed outlier: 6.458A pdb=" N VAL Y 260 " --> pdb=" O GLU Y 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU Y 253 " --> pdb=" O VAL Y 260 " (cutoff:3.500A) Processing sheet with id= 99, first strand: chain 'Y' and resid 49 through 51 Processing sheet with id=100, first strand: chain 'Y' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE Y 150 " --> pdb=" O ASP Y 293 " (cutoff:3.500A) removed outlier: 7.589A pdb=" N VAL Y 295 " --> pdb=" O ILE Y 150 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASP Y 294 " --> pdb=" O THR Y 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR Y 228 " --> pdb=" O ASP Y 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE Y 208 " --> pdb=" O LEU Y 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN Y 206 " --> pdb=" O PRO Y 217 " (cutoff:3.500A) Processing sheet with id=101, first strand: chain 'Z' and resid 42 through 44 Processing sheet with id=102, first strand: chain 'Z' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE Z 270 " --> pdb=" O ILE Z 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE Z 265 " --> pdb=" O ILE Z 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER Z 272 " --> pdb=" O MET Z 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER Z 255 " --> pdb=" O LEU Z 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL Z 260 " --> pdb=" O GLU Z 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU Z 253 " --> pdb=" O VAL Z 260 " (cutoff:3.500A) Processing sheet with id=103, first strand: chain 'Z' and resid 49 through 51 Processing sheet with id=104, first strand: chain 'Z' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE Z 150 " --> pdb=" O ASP Z 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL Z 295 " --> pdb=" O ILE Z 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP Z 294 " --> pdb=" O THR Z 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR Z 228 " --> pdb=" O ASP Z 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE Z 208 " --> pdb=" O LEU Z 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN Z 206 " --> pdb=" O PRO Z 217 " (cutoff:3.500A) Processing sheet with id=105, first strand: chain '0' and resid 42 through 44 Processing sheet with id=106, first strand: chain '0' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE 0 270 " --> pdb=" O ILE 0 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE 0 265 " --> pdb=" O ILE 0 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER 0 272 " --> pdb=" O MET 0 263 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N SER 0 255 " --> pdb=" O LEU 0 258 " (cutoff:3.500A) removed outlier: 6.458A pdb=" N VAL 0 260 " --> pdb=" O GLU 0 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU 0 253 " --> pdb=" O VAL 0 260 " (cutoff:3.500A) Processing sheet with id=107, first strand: chain '0' and resid 49 through 51 Processing sheet with id=108, first strand: chain '0' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE 0 150 " --> pdb=" O ASP 0 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL 0 295 " --> pdb=" O ILE 0 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP 0 294 " --> pdb=" O THR 0 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR 0 228 " --> pdb=" O ASP 0 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE 0 208 " --> pdb=" O LEU 0 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN 0 206 " --> pdb=" O PRO 0 217 " (cutoff:3.500A) Processing sheet with id=109, first strand: chain '1' and resid 42 through 44 Processing sheet with id=110, first strand: chain '1' and resid 42 through 44 removed outlier: 6.123A pdb=" N ILE 1 270 " --> pdb=" O ILE 1 265 " (cutoff:3.500A) removed outlier: 4.466A pdb=" N ILE 1 265 " --> pdb=" O ILE 1 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER 1 272 " --> pdb=" O MET 1 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER 1 255 " --> pdb=" O LEU 1 258 " (cutoff:3.500A) removed outlier: 6.458A pdb=" N VAL 1 260 " --> pdb=" O GLU 1 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU 1 253 " --> pdb=" O VAL 1 260 " (cutoff:3.500A) Processing sheet with id=111, first strand: chain '1' and resid 49 through 51 Processing sheet with id=112, first strand: chain '1' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE 1 150 " --> pdb=" O ASP 1 293 " (cutoff:3.500A) removed outlier: 7.589A pdb=" N VAL 1 295 " --> pdb=" O ILE 1 150 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASP 1 294 " --> pdb=" O THR 1 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR 1 228 " --> pdb=" O ASP 1 294 " (cutoff:3.500A) removed outlier: 4.741A pdb=" N ILE 1 208 " --> pdb=" O LEU 1 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN 1 206 " --> pdb=" O PRO 1 217 " (cutoff:3.500A) Processing sheet with id=113, first strand: chain '2' and resid 42 through 44 Processing sheet with id=114, first strand: chain '2' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE 2 270 " --> pdb=" O ILE 2 265 " (cutoff:3.500A) removed outlier: 4.466A pdb=" N ILE 2 265 " --> pdb=" O ILE 2 270 " (cutoff:3.500A) removed outlier: 6.452A pdb=" N SER 2 272 " --> pdb=" O MET 2 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER 2 255 " --> pdb=" O LEU 2 258 " (cutoff:3.500A) removed outlier: 6.458A pdb=" N VAL 2 260 " --> pdb=" O GLU 2 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU 2 253 " --> pdb=" O VAL 2 260 " (cutoff:3.500A) Processing sheet with id=115, first strand: chain '2' and resid 49 through 51 Processing sheet with id=116, first strand: chain '2' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE 2 150 " --> pdb=" O ASP 2 293 " (cutoff:3.500A) removed outlier: 7.589A pdb=" N VAL 2 295 " --> pdb=" O ILE 2 150 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASP 2 294 " --> pdb=" O THR 2 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR 2 228 " --> pdb=" O ASP 2 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE 2 208 " --> pdb=" O LEU 2 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN 2 206 " --> pdb=" O PRO 2 217 " (cutoff:3.500A) Processing sheet with id=117, first strand: chain '3' and resid 42 through 44 Processing sheet with id=118, first strand: chain '3' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE 3 270 " --> pdb=" O ILE 3 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE 3 265 " --> pdb=" O ILE 3 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER 3 272 " --> pdb=" O MET 3 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER 3 255 " --> pdb=" O LEU 3 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL 3 260 " --> pdb=" O GLU 3 253 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N GLU 3 253 " --> pdb=" O VAL 3 260 " (cutoff:3.500A) Processing sheet with id=119, first strand: chain '3' and resid 49 through 51 Processing sheet with id=120, first strand: chain '3' and resid 149 through 151 removed outlier: 7.055A pdb=" N ILE 3 150 " --> pdb=" O ASP 3 293 " (cutoff:3.500A) removed outlier: 7.589A pdb=" N VAL 3 295 " --> pdb=" O ILE 3 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP 3 294 " --> pdb=" O THR 3 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR 3 228 " --> pdb=" O ASP 3 294 " (cutoff:3.500A) removed outlier: 4.741A pdb=" N ILE 3 208 " --> pdb=" O LEU 3 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN 3 206 " --> pdb=" O PRO 3 217 " (cutoff:3.500A) Processing sheet with id=121, first strand: chain '4' and resid 42 through 44 Processing sheet with id=122, first strand: chain '4' and resid 42 through 44 removed outlier: 6.123A pdb=" N ILE 4 270 " --> pdb=" O ILE 4 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE 4 265 " --> pdb=" O ILE 4 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER 4 272 " --> pdb=" O MET 4 263 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N SER 4 255 " --> pdb=" O LEU 4 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL 4 260 " --> pdb=" O GLU 4 253 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N GLU 4 253 " --> pdb=" O VAL 4 260 " (cutoff:3.500A) Processing sheet with id=123, first strand: chain '4' and resid 49 through 51 Processing sheet with id=124, first strand: chain '4' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE 4 150 " --> pdb=" O ASP 4 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL 4 295 " --> pdb=" O ILE 4 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP 4 294 " --> pdb=" O THR 4 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR 4 228 " --> pdb=" O ASP 4 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE 4 208 " --> pdb=" O LEU 4 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN 4 206 " --> pdb=" O PRO 4 217 " (cutoff:3.500A) Processing sheet with id=125, first strand: chain '5' and resid 42 through 44 Processing sheet with id=126, first strand: chain '5' and resid 42 through 44 removed outlier: 6.123A pdb=" N ILE 5 270 " --> pdb=" O ILE 5 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE 5 265 " --> pdb=" O ILE 5 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER 5 272 " --> pdb=" O MET 5 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER 5 255 " --> pdb=" O LEU 5 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL 5 260 " --> pdb=" O GLU 5 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU 5 253 " --> pdb=" O VAL 5 260 " (cutoff:3.500A) Processing sheet with id=127, first strand: chain '5' and resid 49 through 51 Processing sheet with id=128, first strand: chain '5' and resid 149 through 151 removed outlier: 7.055A pdb=" N ILE 5 150 " --> pdb=" O ASP 5 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL 5 295 " --> pdb=" O ILE 5 150 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASP 5 294 " --> pdb=" O THR 5 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR 5 228 " --> pdb=" O ASP 5 294 " (cutoff:3.500A) removed outlier: 4.741A pdb=" N ILE 5 208 " --> pdb=" O LEU 5 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN 5 206 " --> pdb=" O PRO 5 217 " (cutoff:3.500A) Processing sheet with id=129, first strand: chain '6' and resid 42 through 44 Processing sheet with id=130, first strand: chain '6' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE 6 270 " --> pdb=" O ILE 6 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE 6 265 " --> pdb=" O ILE 6 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER 6 272 " --> pdb=" O MET 6 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER 6 255 " --> pdb=" O LEU 6 258 " (cutoff:3.500A) removed outlier: 6.458A pdb=" N VAL 6 260 " --> pdb=" O GLU 6 253 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N GLU 6 253 " --> pdb=" O VAL 6 260 " (cutoff:3.500A) Processing sheet with id=131, first strand: chain '6' and resid 49 through 51 Processing sheet with id=132, first strand: chain '6' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE 6 150 " --> pdb=" O ASP 6 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL 6 295 " --> pdb=" O ILE 6 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP 6 294 " --> pdb=" O THR 6 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR 6 228 " --> pdb=" O ASP 6 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE 6 208 " --> pdb=" O LEU 6 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN 6 206 " --> pdb=" O PRO 6 217 " (cutoff:3.500A) Processing sheet with id=133, first strand: chain '7' and resid 42 through 44 Processing sheet with id=134, first strand: chain '7' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE 7 270 " --> pdb=" O ILE 7 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE 7 265 " --> pdb=" O ILE 7 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER 7 272 " --> pdb=" O MET 7 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER 7 255 " --> pdb=" O LEU 7 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL 7 260 " --> pdb=" O GLU 7 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU 7 253 " --> pdb=" O VAL 7 260 " (cutoff:3.500A) Processing sheet with id=135, first strand: chain '7' and resid 49 through 51 Processing sheet with id=136, first strand: chain '7' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE 7 150 " --> pdb=" O ASP 7 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL 7 295 " --> pdb=" O ILE 7 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP 7 294 " --> pdb=" O THR 7 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR 7 228 " --> pdb=" O ASP 7 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE 7 208 " --> pdb=" O LEU 7 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN 7 206 " --> pdb=" O PRO 7 217 " (cutoff:3.500A) Processing sheet with id=137, first strand: chain '8' and resid 42 through 44 Processing sheet with id=138, first strand: chain '8' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE 8 270 " --> pdb=" O ILE 8 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE 8 265 " --> pdb=" O ILE 8 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER 8 272 " --> pdb=" O MET 8 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER 8 255 " --> pdb=" O LEU 8 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL 8 260 " --> pdb=" O GLU 8 253 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N GLU 8 253 " --> pdb=" O VAL 8 260 " (cutoff:3.500A) Processing sheet with id=139, first strand: chain '8' and resid 49 through 51 Processing sheet with id=140, first strand: chain '8' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE 8 150 " --> pdb=" O ASP 8 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL 8 295 " --> pdb=" O ILE 8 150 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASP 8 294 " --> pdb=" O THR 8 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR 8 228 " --> pdb=" O ASP 8 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE 8 208 " --> pdb=" O LEU 8 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN 8 206 " --> pdb=" O PRO 8 217 " (cutoff:3.500A) Processing sheet with id=141, first strand: chain '9' and resid 42 through 44 Processing sheet with id=142, first strand: chain '9' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE 9 270 " --> pdb=" O ILE 9 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE 9 265 " --> pdb=" O ILE 9 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER 9 272 " --> pdb=" O MET 9 263 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N SER 9 255 " --> pdb=" O LEU 9 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL 9 260 " --> pdb=" O GLU 9 253 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N GLU 9 253 " --> pdb=" O VAL 9 260 " (cutoff:3.500A) Processing sheet with id=143, first strand: chain '9' and resid 49 through 51 Processing sheet with id=144, first strand: chain '9' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE 9 150 " --> pdb=" O ASP 9 293 " (cutoff:3.500A) removed outlier: 7.589A pdb=" N VAL 9 295 " --> pdb=" O ILE 9 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP 9 294 " --> pdb=" O THR 9 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR 9 228 " --> pdb=" O ASP 9 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE 9 208 " --> pdb=" O LEU 9 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN 9 206 " --> pdb=" O PRO 9 217 " (cutoff:3.500A) Processing sheet with id=145, first strand: chain 'a' and resid 42 through 44 Processing sheet with id=146, first strand: chain 'a' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE a 270 " --> pdb=" O ILE a 265 " (cutoff:3.500A) removed outlier: 4.466A pdb=" N ILE a 265 " --> pdb=" O ILE a 270 " (cutoff:3.500A) removed outlier: 6.452A pdb=" N SER a 272 " --> pdb=" O MET a 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER a 255 " --> pdb=" O LEU a 258 " (cutoff:3.500A) removed outlier: 6.458A pdb=" N VAL a 260 " --> pdb=" O GLU a 253 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N GLU a 253 " --> pdb=" O VAL a 260 " (cutoff:3.500A) Processing sheet with id=147, first strand: chain 'a' and resid 49 through 51 Processing sheet with id=148, first strand: chain 'a' and resid 149 through 151 removed outlier: 7.055A pdb=" N ILE a 150 " --> pdb=" O ASP a 293 " (cutoff:3.500A) removed outlier: 7.589A pdb=" N VAL a 295 " --> pdb=" O ILE a 150 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N ASP a 294 " --> pdb=" O THR a 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR a 228 " --> pdb=" O ASP a 294 " (cutoff:3.500A) removed outlier: 4.741A pdb=" N ILE a 208 " --> pdb=" O LEU a 215 " (cutoff:3.500A) removed outlier: 11.481A pdb=" N GLN a 206 " --> pdb=" O PRO a 217 " (cutoff:3.500A) Processing sheet with id=149, first strand: chain 'b' and resid 42 through 44 Processing sheet with id=150, first strand: chain 'b' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE b 270 " --> pdb=" O ILE b 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE b 265 " --> pdb=" O ILE b 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER b 272 " --> pdb=" O MET b 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER b 255 " --> pdb=" O LEU b 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL b 260 " --> pdb=" O GLU b 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU b 253 " --> pdb=" O VAL b 260 " (cutoff:3.500A) Processing sheet with id=151, first strand: chain 'b' and resid 49 through 51 Processing sheet with id=152, first strand: chain 'b' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE b 150 " --> pdb=" O ASP b 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL b 295 " --> pdb=" O ILE b 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP b 294 " --> pdb=" O THR b 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR b 228 " --> pdb=" O ASP b 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE b 208 " --> pdb=" O LEU b 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN b 206 " --> pdb=" O PRO b 217 " (cutoff:3.500A) Processing sheet with id=153, first strand: chain 'c' and resid 42 through 44 Processing sheet with id=154, first strand: chain 'c' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE c 270 " --> pdb=" O ILE c 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE c 265 " --> pdb=" O ILE c 270 " (cutoff:3.500A) removed outlier: 6.450A pdb=" N SER c 272 " --> pdb=" O MET c 263 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N SER c 255 " --> pdb=" O LEU c 258 " (cutoff:3.500A) removed outlier: 6.458A pdb=" N VAL c 260 " --> pdb=" O GLU c 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU c 253 " --> pdb=" O VAL c 260 " (cutoff:3.500A) Processing sheet with id=155, first strand: chain 'c' and resid 49 through 51 Processing sheet with id=156, first strand: chain 'c' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE c 150 " --> pdb=" O ASP c 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL c 295 " --> pdb=" O ILE c 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP c 294 " --> pdb=" O THR c 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR c 228 " --> pdb=" O ASP c 294 " (cutoff:3.500A) removed outlier: 4.741A pdb=" N ILE c 208 " --> pdb=" O LEU c 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN c 206 " --> pdb=" O PRO c 217 " (cutoff:3.500A) Processing sheet with id=157, first strand: chain 'd' and resid 42 through 44 Processing sheet with id=158, first strand: chain 'd' and resid 42 through 44 removed outlier: 6.123A pdb=" N ILE d 270 " --> pdb=" O ILE d 265 " (cutoff:3.500A) removed outlier: 4.466A pdb=" N ILE d 265 " --> pdb=" O ILE d 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER d 272 " --> pdb=" O MET d 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER d 255 " --> pdb=" O LEU d 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL d 260 " --> pdb=" O GLU d 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU d 253 " --> pdb=" O VAL d 260 " (cutoff:3.500A) Processing sheet with id=159, first strand: chain 'd' and resid 49 through 51 Processing sheet with id=160, first strand: chain 'd' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE d 150 " --> pdb=" O ASP d 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL d 295 " --> pdb=" O ILE d 150 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N ASP d 294 " --> pdb=" O THR d 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR d 228 " --> pdb=" O ASP d 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE d 208 " --> pdb=" O LEU d 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN d 206 " --> pdb=" O PRO d 217 " (cutoff:3.500A) Processing sheet with id=161, first strand: chain 'e' and resid 42 through 44 Processing sheet with id=162, first strand: chain 'e' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE e 270 " --> pdb=" O ILE e 265 " (cutoff:3.500A) removed outlier: 4.466A pdb=" N ILE e 265 " --> pdb=" O ILE e 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER e 272 " --> pdb=" O MET e 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER e 255 " --> pdb=" O LEU e 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL e 260 " --> pdb=" O GLU e 253 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N GLU e 253 " --> pdb=" O VAL e 260 " (cutoff:3.500A) Processing sheet with id=163, first strand: chain 'e' and resid 49 through 51 Processing sheet with id=164, first strand: chain 'e' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE e 150 " --> pdb=" O ASP e 293 " (cutoff:3.500A) removed outlier: 7.589A pdb=" N VAL e 295 " --> pdb=" O ILE e 150 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASP e 294 " --> pdb=" O THR e 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR e 228 " --> pdb=" O ASP e 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE e 208 " --> pdb=" O LEU e 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN e 206 " --> pdb=" O PRO e 217 " (cutoff:3.500A) Processing sheet with id=165, first strand: chain 'f' and resid 42 through 44 Processing sheet with id=166, first strand: chain 'f' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE f 270 " --> pdb=" O ILE f 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE f 265 " --> pdb=" O ILE f 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER f 272 " --> pdb=" O MET f 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER f 255 " --> pdb=" O LEU f 258 " (cutoff:3.500A) removed outlier: 6.458A pdb=" N VAL f 260 " --> pdb=" O GLU f 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU f 253 " --> pdb=" O VAL f 260 " (cutoff:3.500A) Processing sheet with id=167, first strand: chain 'f' and resid 49 through 51 Processing sheet with id=168, first strand: chain 'f' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE f 150 " --> pdb=" O ASP f 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL f 295 " --> pdb=" O ILE f 150 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASP f 294 " --> pdb=" O THR f 228 " (cutoff:3.500A) removed outlier: 6.085A pdb=" N THR f 228 " --> pdb=" O ASP f 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE f 208 " --> pdb=" O LEU f 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN f 206 " --> pdb=" O PRO f 217 " (cutoff:3.500A) Processing sheet with id=169, first strand: chain 'g' and resid 42 through 44 Processing sheet with id=170, first strand: chain 'g' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE g 270 " --> pdb=" O ILE g 265 " (cutoff:3.500A) removed outlier: 4.466A pdb=" N ILE g 265 " --> pdb=" O ILE g 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER g 272 " --> pdb=" O MET g 263 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N SER g 255 " --> pdb=" O LEU g 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL g 260 " --> pdb=" O GLU g 253 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N GLU g 253 " --> pdb=" O VAL g 260 " (cutoff:3.500A) Processing sheet with id=171, first strand: chain 'g' and resid 49 through 51 Processing sheet with id=172, first strand: chain 'g' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE g 150 " --> pdb=" O ASP g 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL g 295 " --> pdb=" O ILE g 150 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N ASP g 294 " --> pdb=" O THR g 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR g 228 " --> pdb=" O ASP g 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE g 208 " --> pdb=" O LEU g 215 " (cutoff:3.500A) removed outlier: 11.481A pdb=" N GLN g 206 " --> pdb=" O PRO g 217 " (cutoff:3.500A) Processing sheet with id=173, first strand: chain 'h' and resid 42 through 44 Processing sheet with id=174, first strand: chain 'h' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE h 270 " --> pdb=" O ILE h 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE h 265 " --> pdb=" O ILE h 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER h 272 " --> pdb=" O MET h 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER h 255 " --> pdb=" O LEU h 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL h 260 " --> pdb=" O GLU h 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU h 253 " --> pdb=" O VAL h 260 " (cutoff:3.500A) Processing sheet with id=175, first strand: chain 'h' and resid 49 through 51 Processing sheet with id=176, first strand: chain 'h' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE h 150 " --> pdb=" O ASP h 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL h 295 " --> pdb=" O ILE h 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP h 294 " --> pdb=" O THR h 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR h 228 " --> pdb=" O ASP h 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE h 208 " --> pdb=" O LEU h 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN h 206 " --> pdb=" O PRO h 217 " (cutoff:3.500A) Processing sheet with id=177, first strand: chain 'i' and resid 42 through 44 Processing sheet with id=178, first strand: chain 'i' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE i 270 " --> pdb=" O ILE i 265 " (cutoff:3.500A) removed outlier: 4.466A pdb=" N ILE i 265 " --> pdb=" O ILE i 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER i 272 " --> pdb=" O MET i 263 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N SER i 255 " --> pdb=" O LEU i 258 " (cutoff:3.500A) removed outlier: 6.458A pdb=" N VAL i 260 " --> pdb=" O GLU i 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU i 253 " --> pdb=" O VAL i 260 " (cutoff:3.500A) Processing sheet with id=179, first strand: chain 'i' and resid 49 through 51 Processing sheet with id=180, first strand: chain 'i' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE i 150 " --> pdb=" O ASP i 293 " (cutoff:3.500A) removed outlier: 7.589A pdb=" N VAL i 295 " --> pdb=" O ILE i 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP i 294 " --> pdb=" O THR i 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR i 228 " --> pdb=" O ASP i 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE i 208 " --> pdb=" O LEU i 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN i 206 " --> pdb=" O PRO i 217 " (cutoff:3.500A) Processing sheet with id=181, first strand: chain 'j' and resid 42 through 44 Processing sheet with id=182, first strand: chain 'j' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE j 270 " --> pdb=" O ILE j 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE j 265 " --> pdb=" O ILE j 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER j 272 " --> pdb=" O MET j 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER j 255 " --> pdb=" O LEU j 258 " (cutoff:3.500A) removed outlier: 6.458A pdb=" N VAL j 260 " --> pdb=" O GLU j 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU j 253 " --> pdb=" O VAL j 260 " (cutoff:3.500A) Processing sheet with id=183, first strand: chain 'j' and resid 49 through 51 Processing sheet with id=184, first strand: chain 'j' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE j 150 " --> pdb=" O ASP j 293 " (cutoff:3.500A) removed outlier: 7.589A pdb=" N VAL j 295 " --> pdb=" O ILE j 150 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASP j 294 " --> pdb=" O THR j 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR j 228 " --> pdb=" O ASP j 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE j 208 " --> pdb=" O LEU j 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN j 206 " --> pdb=" O PRO j 217 " (cutoff:3.500A) Processing sheet with id=185, first strand: chain 'k' and resid 42 through 44 Processing sheet with id=186, first strand: chain 'k' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE k 270 " --> pdb=" O ILE k 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE k 265 " --> pdb=" O ILE k 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER k 272 " --> pdb=" O MET k 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER k 255 " --> pdb=" O LEU k 258 " (cutoff:3.500A) removed outlier: 6.458A pdb=" N VAL k 260 " --> pdb=" O GLU k 253 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N GLU k 253 " --> pdb=" O VAL k 260 " (cutoff:3.500A) Processing sheet with id=187, first strand: chain 'k' and resid 49 through 51 Processing sheet with id=188, first strand: chain 'k' and resid 149 through 151 removed outlier: 7.053A pdb=" N ILE k 150 " --> pdb=" O ASP k 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL k 295 " --> pdb=" O ILE k 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP k 294 " --> pdb=" O THR k 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR k 228 " --> pdb=" O ASP k 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE k 208 " --> pdb=" O LEU k 215 " (cutoff:3.500A) removed outlier: 11.481A pdb=" N GLN k 206 " --> pdb=" O PRO k 217 " (cutoff:3.500A) Processing sheet with id=189, first strand: chain 'l' and resid 42 through 44 Processing sheet with id=190, first strand: chain 'l' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE l 270 " --> pdb=" O ILE l 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE l 265 " --> pdb=" O ILE l 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER l 272 " --> pdb=" O MET l 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER l 255 " --> pdb=" O LEU l 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL l 260 " --> pdb=" O GLU l 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU l 253 " --> pdb=" O VAL l 260 " (cutoff:3.500A) Processing sheet with id=191, first strand: chain 'l' and resid 49 through 51 Processing sheet with id=192, first strand: chain 'l' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE l 150 " --> pdb=" O ASP l 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL l 295 " --> pdb=" O ILE l 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP l 294 " --> pdb=" O THR l 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR l 228 " --> pdb=" O ASP l 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE l 208 " --> pdb=" O LEU l 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN l 206 " --> pdb=" O PRO l 217 " (cutoff:3.500A) Processing sheet with id=193, first strand: chain 'm' and resid 42 through 44 Processing sheet with id=194, first strand: chain 'm' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE m 270 " --> pdb=" O ILE m 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE m 265 " --> pdb=" O ILE m 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER m 272 " --> pdb=" O MET m 263 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N SER m 255 " --> pdb=" O LEU m 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL m 260 " --> pdb=" O GLU m 253 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N GLU m 253 " --> pdb=" O VAL m 260 " (cutoff:3.500A) Processing sheet with id=195, first strand: chain 'm' and resid 49 through 51 Processing sheet with id=196, first strand: chain 'm' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE m 150 " --> pdb=" O ASP m 293 " (cutoff:3.500A) removed outlier: 7.589A pdb=" N VAL m 295 " --> pdb=" O ILE m 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP m 294 " --> pdb=" O THR m 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR m 228 " --> pdb=" O ASP m 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE m 208 " --> pdb=" O LEU m 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN m 206 " --> pdb=" O PRO m 217 " (cutoff:3.500A) Processing sheet with id=197, first strand: chain 'n' and resid 42 through 44 Processing sheet with id=198, first strand: chain 'n' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE n 270 " --> pdb=" O ILE n 265 " (cutoff:3.500A) removed outlier: 4.466A pdb=" N ILE n 265 " --> pdb=" O ILE n 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER n 272 " --> pdb=" O MET n 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER n 255 " --> pdb=" O LEU n 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL n 260 " --> pdb=" O GLU n 253 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N GLU n 253 " --> pdb=" O VAL n 260 " (cutoff:3.500A) Processing sheet with id=199, first strand: chain 'n' and resid 49 through 51 Processing sheet with id=200, first strand: chain 'n' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE n 150 " --> pdb=" O ASP n 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL n 295 " --> pdb=" O ILE n 150 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASP n 294 " --> pdb=" O THR n 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR n 228 " --> pdb=" O ASP n 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE n 208 " --> pdb=" O LEU n 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN n 206 " --> pdb=" O PRO n 217 " (cutoff:3.500A) Processing sheet with id=201, first strand: chain 'o' and resid 42 through 44 Processing sheet with id=202, first strand: chain 'o' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE o 270 " --> pdb=" O ILE o 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE o 265 " --> pdb=" O ILE o 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER o 272 " --> pdb=" O MET o 263 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N SER o 255 " --> pdb=" O LEU o 258 " (cutoff:3.500A) removed outlier: 6.458A pdb=" N VAL o 260 " --> pdb=" O GLU o 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU o 253 " --> pdb=" O VAL o 260 " (cutoff:3.500A) Processing sheet with id=203, first strand: chain 'o' and resid 49 through 51 Processing sheet with id=204, first strand: chain 'o' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE o 150 " --> pdb=" O ASP o 293 " (cutoff:3.500A) removed outlier: 7.589A pdb=" N VAL o 295 " --> pdb=" O ILE o 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP o 294 " --> pdb=" O THR o 228 " (cutoff:3.500A) removed outlier: 6.085A pdb=" N THR o 228 " --> pdb=" O ASP o 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE o 208 " --> pdb=" O LEU o 215 " (cutoff:3.500A) removed outlier: 11.481A pdb=" N GLN o 206 " --> pdb=" O PRO o 217 " (cutoff:3.500A) Processing sheet with id=205, first strand: chain 'p' and resid 42 through 44 Processing sheet with id=206, first strand: chain 'p' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE p 270 " --> pdb=" O ILE p 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE p 265 " --> pdb=" O ILE p 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER p 272 " --> pdb=" O MET p 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER p 255 " --> pdb=" O LEU p 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL p 260 " --> pdb=" O GLU p 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU p 253 " --> pdb=" O VAL p 260 " (cutoff:3.500A) Processing sheet with id=207, first strand: chain 'p' and resid 49 through 51 Processing sheet with id=208, first strand: chain 'p' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE p 150 " --> pdb=" O ASP p 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL p 295 " --> pdb=" O ILE p 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP p 294 " --> pdb=" O THR p 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR p 228 " --> pdb=" O ASP p 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE p 208 " --> pdb=" O LEU p 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN p 206 " --> pdb=" O PRO p 217 " (cutoff:3.500A) Processing sheet with id=209, first strand: chain 'q' and resid 42 through 44 Processing sheet with id=210, first strand: chain 'q' and resid 42 through 44 removed outlier: 6.125A pdb=" N ILE q 270 " --> pdb=" O ILE q 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE q 265 " --> pdb=" O ILE q 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER q 272 " --> pdb=" O MET q 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER q 255 " --> pdb=" O LEU q 258 " (cutoff:3.500A) removed outlier: 6.458A pdb=" N VAL q 260 " --> pdb=" O GLU q 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU q 253 " --> pdb=" O VAL q 260 " (cutoff:3.500A) Processing sheet with id=211, first strand: chain 'q' and resid 49 through 51 Processing sheet with id=212, first strand: chain 'q' and resid 149 through 151 removed outlier: 7.055A pdb=" N ILE q 150 " --> pdb=" O ASP q 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL q 295 " --> pdb=" O ILE q 150 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASP q 294 " --> pdb=" O THR q 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR q 228 " --> pdb=" O ASP q 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE q 208 " --> pdb=" O LEU q 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN q 206 " --> pdb=" O PRO q 217 " (cutoff:3.500A) Processing sheet with id=213, first strand: chain 'r' and resid 42 through 44 Processing sheet with id=214, first strand: chain 'r' and resid 42 through 44 removed outlier: 6.123A pdb=" N ILE r 270 " --> pdb=" O ILE r 265 " (cutoff:3.500A) removed outlier: 4.466A pdb=" N ILE r 265 " --> pdb=" O ILE r 270 " (cutoff:3.500A) removed outlier: 6.450A pdb=" N SER r 272 " --> pdb=" O MET r 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER r 255 " --> pdb=" O LEU r 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL r 260 " --> pdb=" O GLU r 253 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N GLU r 253 " --> pdb=" O VAL r 260 " (cutoff:3.500A) Processing sheet with id=215, first strand: chain 'r' and resid 49 through 51 Processing sheet with id=216, first strand: chain 'r' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE r 150 " --> pdb=" O ASP r 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL r 295 " --> pdb=" O ILE r 150 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N ASP r 294 " --> pdb=" O THR r 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR r 228 " --> pdb=" O ASP r 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE r 208 " --> pdb=" O LEU r 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN r 206 " --> pdb=" O PRO r 217 " (cutoff:3.500A) Processing sheet with id=217, first strand: chain 's' and resid 42 through 44 Processing sheet with id=218, first strand: chain 's' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE s 270 " --> pdb=" O ILE s 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE s 265 " --> pdb=" O ILE s 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER s 272 " --> pdb=" O MET s 263 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N SER s 255 " --> pdb=" O LEU s 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL s 260 " --> pdb=" O GLU s 253 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N GLU s 253 " --> pdb=" O VAL s 260 " (cutoff:3.500A) Processing sheet with id=219, first strand: chain 's' and resid 49 through 51 Processing sheet with id=220, first strand: chain 's' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE s 150 " --> pdb=" O ASP s 293 " (cutoff:3.500A) removed outlier: 7.589A pdb=" N VAL s 295 " --> pdb=" O ILE s 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP s 294 " --> pdb=" O THR s 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR s 228 " --> pdb=" O ASP s 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE s 208 " --> pdb=" O LEU s 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN s 206 " --> pdb=" O PRO s 217 " (cutoff:3.500A) Processing sheet with id=221, first strand: chain 't' and resid 42 through 44 Processing sheet with id=222, first strand: chain 't' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE t 270 " --> pdb=" O ILE t 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE t 265 " --> pdb=" O ILE t 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER t 272 " --> pdb=" O MET t 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER t 255 " --> pdb=" O LEU t 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL t 260 " --> pdb=" O GLU t 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU t 253 " --> pdb=" O VAL t 260 " (cutoff:3.500A) Processing sheet with id=223, first strand: chain 't' and resid 49 through 51 Processing sheet with id=224, first strand: chain 't' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE t 150 " --> pdb=" O ASP t 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL t 295 " --> pdb=" O ILE t 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP t 294 " --> pdb=" O THR t 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR t 228 " --> pdb=" O ASP t 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE t 208 " --> pdb=" O LEU t 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN t 206 " --> pdb=" O PRO t 217 " (cutoff:3.500A) Processing sheet with id=225, first strand: chain 'u' and resid 42 through 44 Processing sheet with id=226, first strand: chain 'u' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE u 270 " --> pdb=" O ILE u 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE u 265 " --> pdb=" O ILE u 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER u 272 " --> pdb=" O MET u 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER u 255 " --> pdb=" O LEU u 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL u 260 " --> pdb=" O GLU u 253 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N GLU u 253 " --> pdb=" O VAL u 260 " (cutoff:3.500A) Processing sheet with id=227, first strand: chain 'u' and resid 49 through 51 Processing sheet with id=228, first strand: chain 'u' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE u 150 " --> pdb=" O ASP u 293 " (cutoff:3.500A) removed outlier: 7.589A pdb=" N VAL u 295 " --> pdb=" O ILE u 150 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASP u 294 " --> pdb=" O THR u 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR u 228 " --> pdb=" O ASP u 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE u 208 " --> pdb=" O LEU u 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN u 206 " --> pdb=" O PRO u 217 " (cutoff:3.500A) Processing sheet with id=229, first strand: chain 'v' and resid 42 through 44 Processing sheet with id=230, first strand: chain 'v' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE v 270 " --> pdb=" O ILE v 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE v 265 " --> pdb=" O ILE v 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER v 272 " --> pdb=" O MET v 263 " (cutoff:3.500A) removed outlier: 3.796A pdb=" N SER v 255 " --> pdb=" O LEU v 258 " (cutoff:3.500A) removed outlier: 6.458A pdb=" N VAL v 260 " --> pdb=" O GLU v 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU v 253 " --> pdb=" O VAL v 260 " (cutoff:3.500A) Processing sheet with id=231, first strand: chain 'v' and resid 49 through 51 Processing sheet with id=232, first strand: chain 'v' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE v 150 " --> pdb=" O ASP v 293 " (cutoff:3.500A) removed outlier: 7.589A pdb=" N VAL v 295 " --> pdb=" O ILE v 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP v 294 " --> pdb=" O THR v 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR v 228 " --> pdb=" O ASP v 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE v 208 " --> pdb=" O LEU v 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN v 206 " --> pdb=" O PRO v 217 " (cutoff:3.500A) Processing sheet with id=233, first strand: chain 'w' and resid 42 through 44 Processing sheet with id=234, first strand: chain 'w' and resid 42 through 44 removed outlier: 6.124A pdb=" N ILE w 270 " --> pdb=" O ILE w 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE w 265 " --> pdb=" O ILE w 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER w 272 " --> pdb=" O MET w 263 " (cutoff:3.500A) removed outlier: 3.796A pdb=" N SER w 255 " --> pdb=" O LEU w 258 " (cutoff:3.500A) removed outlier: 6.457A pdb=" N VAL w 260 " --> pdb=" O GLU w 253 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLU w 253 " --> pdb=" O VAL w 260 " (cutoff:3.500A) Processing sheet with id=235, first strand: chain 'w' and resid 49 through 51 Processing sheet with id=236, first strand: chain 'w' and resid 149 through 151 removed outlier: 7.054A pdb=" N ILE w 150 " --> pdb=" O ASP w 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL w 295 " --> pdb=" O ILE w 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP w 294 " --> pdb=" O THR w 228 " (cutoff:3.500A) removed outlier: 6.084A pdb=" N THR w 228 " --> pdb=" O ASP w 294 " (cutoff:3.500A) removed outlier: 4.741A pdb=" N ILE w 208 " --> pdb=" O LEU w 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN w 206 " --> pdb=" O PRO w 217 " (cutoff:3.500A) Processing sheet with id=237, first strand: chain 'x' and resid 42 through 44 Processing sheet with id=238, first strand: chain 'x' and resid 42 through 44 removed outlier: 6.123A pdb=" N ILE x 270 " --> pdb=" O ILE x 265 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N ILE x 265 " --> pdb=" O ILE x 270 " (cutoff:3.500A) removed outlier: 6.451A pdb=" N SER x 272 " --> pdb=" O MET x 263 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N SER x 255 " --> pdb=" O LEU x 258 " (cutoff:3.500A) removed outlier: 6.458A pdb=" N VAL x 260 " --> pdb=" O GLU x 253 " (cutoff:3.500A) removed outlier: 5.527A pdb=" N GLU x 253 " --> pdb=" O VAL x 260 " (cutoff:3.500A) Processing sheet with id=239, first strand: chain 'x' and resid 49 through 51 Processing sheet with id=240, first strand: chain 'x' and resid 149 through 151 removed outlier: 7.055A pdb=" N ILE x 150 " --> pdb=" O ASP x 293 " (cutoff:3.500A) removed outlier: 7.588A pdb=" N VAL x 295 " --> pdb=" O ILE x 150 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ASP x 294 " --> pdb=" O THR x 228 " (cutoff:3.500A) removed outlier: 6.083A pdb=" N THR x 228 " --> pdb=" O ASP x 294 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ILE x 208 " --> pdb=" O LEU x 215 " (cutoff:3.500A) removed outlier: 11.480A pdb=" N GLN x 206 " --> pdb=" O PRO x 217 " (cutoff:3.500A) 5820 hydrogen bonds defined for protein. 16380 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: 99.19 Time building geometry restraints manager: 42.68 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.20 - 1.32: 25181 1.32 - 1.44: 36019 1.44 - 1.57: 84540 1.57 - 1.69: 0 1.69 - 1.81: 300 Bond restraints: 146040 Sorted by residual: bond pdb=" N ARG O 234 " pdb=" CA ARG O 234 " ideal model delta sigma weight residual 1.455 1.509 -0.054 1.23e-02 6.61e+03 1.92e+01 bond pdb=" N ARG T 234 " pdb=" CA ARG T 234 " ideal model delta sigma weight residual 1.455 1.509 -0.054 1.23e-02 6.61e+03 1.89e+01 bond pdb=" N ARG 8 234 " pdb=" CA ARG 8 234 " ideal model delta sigma weight residual 1.455 1.509 -0.054 1.23e-02 6.61e+03 1.89e+01 bond pdb=" N ARG H 234 " pdb=" CA ARG H 234 " ideal model delta sigma weight residual 1.455 1.509 -0.054 1.23e-02 6.61e+03 1.89e+01 bond pdb=" N ARG m 234 " pdb=" CA ARG m 234 " ideal model delta sigma weight residual 1.455 1.509 -0.053 1.23e-02 6.61e+03 1.89e+01 ... (remaining 146035 not shown) Histogram of bond angle deviations from ideal: 100.41 - 107.13: 6375 107.13 - 113.84: 81291 113.84 - 120.56: 57143 120.56 - 127.28: 52758 127.28 - 134.00: 1813 Bond angle restraints: 199380 Sorted by residual: angle pdb=" CA GLY E 241 " pdb=" C GLY E 241 " pdb=" O GLY E 241 " ideal model delta sigma weight residual 121.93 117.42 4.51 1.06e+00 8.90e-01 1.81e+01 angle pdb=" CA GLY U 241 " pdb=" C GLY U 241 " pdb=" O GLY U 241 " ideal model delta sigma weight residual 121.93 117.42 4.51 1.06e+00 8.90e-01 1.81e+01 angle pdb=" CA GLY a 241 " pdb=" C GLY a 241 " pdb=" O GLY a 241 " ideal model delta sigma weight residual 121.93 117.42 4.51 1.06e+00 8.90e-01 1.81e+01 angle pdb=" CA GLY k 241 " pdb=" C GLY k 241 " pdb=" O GLY k 241 " ideal model delta sigma weight residual 121.93 117.42 4.51 1.06e+00 8.90e-01 1.81e+01 angle pdb=" CA GLY u 241 " pdb=" C GLY u 241 " pdb=" O GLY u 241 " ideal model delta sigma weight residual 121.93 117.43 4.50 1.06e+00 8.90e-01 1.81e+01 ... (remaining 199375 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 17.08: 79251 17.08 - 34.16: 6489 34.16 - 51.24: 1740 51.24 - 68.33: 780 68.33 - 85.41: 300 Dihedral angle restraints: 88560 sinusoidal: 35820 harmonic: 52740 Sorted by residual: dihedral pdb=" CA SER a 108 " pdb=" C SER a 108 " pdb=" N PRO a 109 " pdb=" CA PRO a 109 " ideal model delta harmonic sigma weight residual 0.00 18.24 -18.24 0 5.00e+00 4.00e-02 1.33e+01 dihedral pdb=" CA SER g 108 " pdb=" C SER g 108 " pdb=" N PRO g 109 " pdb=" CA PRO g 109 " ideal model delta harmonic sigma weight residual 0.00 18.24 -18.24 0 5.00e+00 4.00e-02 1.33e+01 dihedral pdb=" CA SER E 108 " pdb=" C SER E 108 " pdb=" N PRO E 109 " pdb=" CA PRO E 109 " ideal model delta harmonic sigma weight residual 0.00 18.24 -18.24 0 5.00e+00 4.00e-02 1.33e+01 ... (remaining 88557 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.048: 15969 0.048 - 0.096: 4389 0.096 - 0.143: 2019 0.143 - 0.191: 243 0.191 - 0.239: 240 Chirality restraints: 22860 Sorted by residual: chirality pdb=" CA VAL Q 223 " pdb=" N VAL Q 223 " pdb=" C VAL Q 223 " pdb=" CB VAL Q 223 " both_signs ideal model delta sigma weight residual False 2.44 2.68 -0.24 2.00e-01 2.50e+01 1.43e+00 chirality pdb=" CA VAL x 223 " pdb=" N VAL x 223 " pdb=" C VAL x 223 " pdb=" CB VAL x 223 " both_signs ideal model delta sigma weight residual False 2.44 2.68 -0.24 2.00e-01 2.50e+01 1.43e+00 chirality pdb=" CA VAL 5 223 " pdb=" N VAL 5 223 " pdb=" C VAL 5 223 " pdb=" CB VAL 5 223 " both_signs ideal model delta sigma weight residual False 2.44 2.68 -0.24 2.00e-01 2.50e+01 1.43e+00 ... (remaining 22857 not shown) Planarity restraints: 26160 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CA TYR 1 106 " 0.020 2.00e-02 2.50e+03 4.06e-02 1.65e+01 pdb=" C TYR 1 106 " -0.070 2.00e-02 2.50e+03 pdb=" O TYR 1 106 " 0.027 2.00e-02 2.50e+03 pdb=" N SER 1 107 " 0.023 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CA TYR U 106 " 0.020 2.00e-02 2.50e+03 4.05e-02 1.64e+01 pdb=" C TYR U 106 " -0.070 2.00e-02 2.50e+03 pdb=" O TYR U 106 " 0.027 2.00e-02 2.50e+03 pdb=" N SER U 107 " 0.023 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CA TYR k 106 " 0.020 2.00e-02 2.50e+03 4.05e-02 1.64e+01 pdb=" C TYR k 106 " -0.070 2.00e-02 2.50e+03 pdb=" O TYR k 106 " 0.027 2.00e-02 2.50e+03 pdb=" N SER k 107 " 0.023 2.00e-02 2.50e+03 ... (remaining 26157 not shown) Histogram of nonbonded interaction distances: 2.12 - 2.68: 2100 2.68 - 3.23: 128836 3.23 - 3.79: 215189 3.79 - 4.34: 312273 4.34 - 4.90: 504024 Nonbonded interactions: 1162422 Sorted by model distance: nonbonded pdb=" OE1 GLU N 86 " pdb=" NH2 ARG O 16 " model vdw 2.121 2.520 nonbonded pdb=" NH2 ARG 4 16 " pdb=" OE1 GLU 8 86 " model vdw 2.121 2.520 nonbonded pdb=" OE1 GLU q 86 " pdb=" NH2 ARG r 16 " model vdw 2.121 2.520 nonbonded pdb=" OE1 GLU S 86 " pdb=" NH2 ARG T 16 " model vdw 2.121 2.520 nonbonded pdb=" OE1 GLU V 86 " pdb=" NH2 ARG W 16 " model vdw 2.121 2.520 ... (remaining 1162417 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: 3.270 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.020 Construct map_model_manager: 0.110 Extract box with map and model: 17.930 Check model and map are aligned: 1.620 Set scattering table: 1.000 Process input model: 323.900 Find NCS groups from input model: 7.820 Set up NCS constraints: 1.870 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.030 Load rotamer database and sin/cos tables:10.880 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 368.450 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7848 moved from start: 0.0000 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.006 0.054 146040 Z= 0.385 Angle : 0.892 10.437 199380 Z= 0.577 Chirality : 0.057 0.239 22860 Planarity : 0.005 0.041 26160 Dihedral : 15.757 85.408 54480 Min Nonbonded Distance : 2.121 Molprobity Statistics. All-atom Clashscore : 4.24 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.00 % Favored : 98.00 % Rotamer: Outliers : 1.88 % Allowed : 8.42 % Favored : 89.69 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.55 % 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: 0.87 (0.06), residues: 18000 helix: 2.55 (0.07), residues: 4500 sheet: 1.00 (0.07), residues: 4200 loop : -0.65 (0.06), residues: 9300 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.012 0.002 TRP E 35 HIS 0.006 0.001 HIS w 301 PHE 0.011 0.002 PHE D 77 TYR 0.025 0.002 TYR N 87 ARG 0.004 0.001 ARG T 16 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 36000 Ramachandran restraints generated. 18000 Oldfield, 0 Emsley, 18000 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 36000 Ramachandran restraints generated. 18000 Oldfield, 0 Emsley, 18000 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2156 residues out of total 15720 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 296 poor density : 1860 time to evaluate : 12.673 Fit side-chains REVERT: A 203 PHE cc_start: 0.7607 (m-80) cc_final: 0.7391 (m-80) REVERT: D 147 ASP cc_start: 0.7247 (t70) cc_final: 0.7046 (t70) REVERT: E 147 ASP cc_start: 0.7213 (t70) cc_final: 0.7004 (t0) REVERT: F 147 ASP cc_start: 0.7215 (t70) cc_final: 0.7003 (t0) REVERT: G 203 PHE cc_start: 0.7604 (m-80) cc_final: 0.7390 (m-80) REVERT: J 147 ASP cc_start: 0.7246 (t70) cc_final: 0.7043 (t70) REVERT: K 147 ASP cc_start: 0.7245 (t70) cc_final: 0.7041 (t70) REVERT: L 147 ASP cc_start: 0.7215 (t70) cc_final: 0.7003 (t0) REVERT: M 203 PHE cc_start: 0.7607 (m-80) cc_final: 0.7391 (m-80) REVERT: R 147 ASP cc_start: 0.7215 (t70) cc_final: 0.7005 (t0) REVERT: S 203 PHE cc_start: 0.7607 (m-80) cc_final: 0.7391 (m-80) REVERT: U 147 ASP cc_start: 0.7215 (t70) cc_final: 0.7005 (t0) REVERT: V 203 PHE cc_start: 0.7604 (m-80) cc_final: 0.7390 (m-80) REVERT: Z 203 PHE cc_start: 0.7606 (m-80) cc_final: 0.7391 (m-80) REVERT: 2 147 ASP cc_start: 0.7247 (t70) cc_final: 0.7045 (t70) REVERT: 3 147 ASP cc_start: 0.7212 (t70) cc_final: 0.7003 (t0) REVERT: 5 147 ASP cc_start: 0.7248 (t70) cc_final: 0.7044 (t70) REVERT: 6 147 ASP cc_start: 0.7214 (t70) cc_final: 0.7005 (t0) REVERT: 7 203 PHE cc_start: 0.7606 (m-80) cc_final: 0.7391 (m-80) REVERT: 9 147 ASP cc_start: 0.7246 (t70) cc_final: 0.7046 (t70) REVERT: a 147 ASP cc_start: 0.7214 (t70) cc_final: 0.7004 (t0) REVERT: b 203 PHE cc_start: 0.7607 (m-80) cc_final: 0.7390 (m-80) REVERT: g 147 ASP cc_start: 0.7215 (t70) cc_final: 0.7004 (t0) REVERT: h 203 PHE cc_start: 0.7606 (m-80) cc_final: 0.7392 (m-80) REVERT: j 147 ASP cc_start: 0.7246 (t70) cc_final: 0.7045 (t70) REVERT: k 147 ASP cc_start: 0.7214 (t70) cc_final: 0.7005 (t0) REVERT: l 203 PHE cc_start: 0.7607 (m-80) cc_final: 0.7390 (m-80) REVERT: o 147 ASP cc_start: 0.7216 (t70) cc_final: 0.7006 (t0) REVERT: p 203 PHE cc_start: 0.7604 (m-80) cc_final: 0.7390 (m-80) REVERT: t 203 PHE cc_start: 0.7606 (m-80) cc_final: 0.7392 (m-80) REVERT: w 147 ASP cc_start: 0.7246 (t70) cc_final: 0.7045 (t70) REVERT: x 147 ASP cc_start: 0.7213 (t70) cc_final: 0.7000 (t0) outliers start: 296 outliers final: 48 residues processed: 1949 average time/residue: 2.2984 time to fit residues: 6219.3953 Evaluate side-chains 1557 residues out of total 15720 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 48 poor density : 1509 time to evaluate : 12.581 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 224 GLU Chi-restraints excluded: chain A residue 281 LEU Chi-restraints excluded: chain D residue 281 LEU Chi-restraints excluded: chain E residue 281 LEU Chi-restraints excluded: chain F residue 281 LEU Chi-restraints excluded: chain G residue 224 GLU Chi-restraints excluded: chain G residue 281 LEU Chi-restraints excluded: chain J residue 281 LEU Chi-restraints excluded: chain K residue 281 LEU Chi-restraints excluded: chain L residue 281 LEU Chi-restraints excluded: chain M residue 224 GLU Chi-restraints excluded: chain M residue 281 LEU Chi-restraints excluded: chain Q residue 281 LEU Chi-restraints excluded: chain R residue 281 LEU Chi-restraints excluded: chain S residue 224 GLU Chi-restraints excluded: chain S residue 281 LEU Chi-restraints excluded: chain U residue 281 LEU Chi-restraints excluded: chain V residue 224 GLU Chi-restraints excluded: chain V residue 281 LEU Chi-restraints excluded: chain Y residue 281 LEU Chi-restraints excluded: chain Z residue 224 GLU Chi-restraints excluded: chain Z residue 281 LEU Chi-restraints excluded: chain 2 residue 281 LEU Chi-restraints excluded: chain 3 residue 281 LEU Chi-restraints excluded: chain 5 residue 281 LEU Chi-restraints excluded: chain 6 residue 281 LEU Chi-restraints excluded: chain 7 residue 224 GLU Chi-restraints excluded: chain 7 residue 281 LEU Chi-restraints excluded: chain 9 residue 281 LEU Chi-restraints excluded: chain a residue 281 LEU Chi-restraints excluded: chain b residue 224 GLU Chi-restraints excluded: chain b residue 281 LEU Chi-restraints excluded: chain f residue 281 LEU Chi-restraints excluded: chain g residue 281 LEU Chi-restraints excluded: chain h residue 224 GLU Chi-restraints excluded: chain h residue 281 LEU Chi-restraints excluded: chain j residue 281 LEU Chi-restraints excluded: chain k residue 281 LEU Chi-restraints excluded: chain l residue 224 GLU Chi-restraints excluded: chain l residue 281 LEU Chi-restraints excluded: chain o residue 281 LEU Chi-restraints excluded: chain p residue 224 GLU Chi-restraints excluded: chain p residue 281 LEU Chi-restraints excluded: chain s residue 281 LEU Chi-restraints excluded: chain t residue 224 GLU Chi-restraints excluded: chain t residue 281 LEU Chi-restraints excluded: chain w residue 281 LEU Chi-restraints excluded: chain x residue 281 LEU Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1800 random chunks: chunk 1519 optimal weight: 10.0000 chunk 1364 optimal weight: 10.0000 chunk 757 optimal weight: 6.9990 chunk 466 optimal weight: 9.9990 chunk 920 optimal weight: 4.9990 chunk 728 optimal weight: 10.0000 chunk 1410 optimal weight: 10.0000 chunk 545 optimal weight: 9.9990 chunk 857 optimal weight: 9.9990 chunk 1050 optimal weight: 10.0000 chunk 1634 optimal weight: 10.0000 overall best weight: 8.3990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 154 ASN A 206 GLN A 268 ASN B 154 ASN B 206 GLN C 154 ASN C 306 ASN D 62 GLN ** D 75 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 154 ASN D 268 ASN E 62 GLN E 75 GLN E 154 ASN E 206 GLN E 268 ASN F 62 GLN F 75 GLN F 90 ASN F 154 ASN F 206 GLN F 268 ASN G 154 ASN G 206 GLN G 268 ASN H 154 ASN H 206 GLN I 154 ASN I 306 ASN J 62 GLN ** J 75 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 154 ASN J 268 ASN K 62 GLN ** K 75 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 154 ASN K 268 ASN L 62 GLN L 75 GLN L 90 ASN L 154 ASN L 206 GLN L 268 ASN M 154 ASN M 206 GLN M 268 ASN N 154 ASN N 206 GLN O 154 ASN O 306 ASN P 154 ASN P 306 ASN Q 62 GLN ** Q 75 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 154 ASN Q 268 ASN R 62 GLN R 75 GLN R 154 ASN R 206 GLN R 268 ASN S 154 ASN S 206 GLN S 268 ASN T 154 ASN T 206 GLN U 62 GLN U 75 GLN U 154 ASN U 206 GLN U 268 ASN V 154 ASN V 206 GLN V 268 ASN W 154 ASN W 206 GLN X 154 ASN X 306 ASN Y 62 GLN ** Y 75 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 154 ASN Y 268 ASN Z 154 ASN Z 206 GLN Z 268 ASN 0 154 ASN 0 206 GLN 1 154 ASN 1 306 ASN 2 62 GLN ** 2 75 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 154 ASN 2 268 ASN 3 62 GLN 3 75 GLN 3 154 ASN 3 206 GLN 3 268 ASN 4 154 ASN 4 306 ASN 5 62 GLN ** 5 75 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 154 ASN 5 268 ASN 6 62 GLN 6 75 GLN 6 154 ASN 6 206 GLN 6 268 ASN 7 154 ASN 7 206 GLN 7 268 ASN 8 154 ASN 8 206 GLN 9 62 GLN ** 9 75 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 9 154 ASN 9 268 ASN a 62 GLN a 75 GLN a 154 ASN a 206 GLN a 268 ASN b 154 ASN b 206 GLN b 268 ASN c 154 ASN c 206 GLN d 154 ASN d 306 ASN e 154 ASN e 306 ASN f 62 GLN ** f 75 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 154 ASN f 268 ASN g 62 GLN g 75 GLN g 90 ASN g 154 ASN g 206 GLN g 268 ASN h 154 ASN h 206 GLN h 268 ASN i 154 ASN i 206 GLN j 62 GLN ** j 75 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 154 ASN j 268 ASN k 62 GLN k 75 GLN k 154 ASN k 206 GLN k 268 ASN l 154 ASN l 206 GLN l 268 ASN m 154 ASN m 206 GLN n 154 ASN n 306 ASN o 62 GLN o 75 GLN o 154 ASN o 206 GLN o 268 ASN p 154 ASN p 206 GLN p 268 ASN q 154 ASN q 206 GLN r 154 ASN r 306 ASN s 62 GLN ** s 75 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 154 ASN s 268 ASN t 154 ASN t 206 GLN t 268 ASN u 154 ASN u 206 GLN v 154 ASN v 306 ASN w 62 GLN ** w 75 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 154 ASN w 268 ASN x 62 GLN x 75 GLN x 90 ASN x 154 ASN x 206 GLN x 268 ASN Total number of N/Q/H flips: 184 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8182 moved from start: 0.2455 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.006 0.051 146040 Z= 0.424 Angle : 0.854 12.005 199380 Z= 0.472 Chirality : 0.061 0.215 22860 Planarity : 0.007 0.073 26160 Dihedral : 5.661 72.758 19908 Min Nonbonded Distance : 2.328 Molprobity Statistics. All-atom Clashscore : 2.18 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.00 % Favored : 97.00 % Rotamer: Outliers : 1.22 % Allowed : 6.89 % Favored : 91.90 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.55 % 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: 0.14 (0.06), residues: 18000 helix: 1.28 (0.07), residues: 4560 sheet: 0.66 (0.08), residues: 3720 loop : -0.71 (0.06), residues: 9720 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.023 0.004 TRP W 42 HIS 0.008 0.002 HIS D 110 PHE 0.033 0.004 PHE g 176 TYR 0.032 0.004 TYR f 50 ARG 0.011 0.001 ARG B 188 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 36000 Ramachandran restraints generated. 18000 Oldfield, 0 Emsley, 18000 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 36000 Ramachandran restraints generated. 18000 Oldfield, 0 Emsley, 18000 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1847 residues out of total 15720 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 191 poor density : 1656 time to evaluate : 12.721 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: D 263 MET cc_start: 0.8442 (mtp) cc_final: 0.7989 (mtp) REVERT: E 147 ASP cc_start: 0.7324 (t70) cc_final: 0.7072 (t0) REVERT: J 263 MET cc_start: 0.8460 (mtp) cc_final: 0.8001 (mtp) REVERT: K 263 MET cc_start: 0.8450 (mtp) cc_final: 0.8013 (mtp) REVERT: R 147 ASP cc_start: 0.7326 (t70) cc_final: 0.7072 (t0) REVERT: U 147 ASP cc_start: 0.7328 (t70) cc_final: 0.7074 (t0) REVERT: 3 147 ASP cc_start: 0.7325 (t70) cc_final: 0.7070 (t0) REVERT: 5 263 MET cc_start: 0.8463 (mtp) cc_final: 0.7987 (mtp) REVERT: 6 147 ASP cc_start: 0.7326 (t70) cc_final: 0.7070 (t0) REVERT: a 147 ASP cc_start: 0.7326 (t70) cc_final: 0.7073 (t0) REVERT: f 263 MET cc_start: 0.8464 (mtp) cc_final: 0.7993 (mtp) REVERT: k 147 ASP cc_start: 0.7326 (t70) cc_final: 0.7071 (t0) REVERT: o 147 ASP cc_start: 0.7327 (t70) cc_final: 0.7107 (t0) REVERT: s 263 MET cc_start: 0.8459 (mtp) cc_final: 0.8003 (mtp) outliers start: 191 outliers final: 48 residues processed: 1805 average time/residue: 2.1506 time to fit residues: 5469.2727 Evaluate side-chains 1569 residues out of total 15720 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 48 poor density : 1521 time to evaluate : 12.619 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 199 THR Chi-restraints excluded: chain A residue 224 GLU Chi-restraints excluded: chain D residue 199 THR Chi-restraints excluded: chain D residue 281 LEU Chi-restraints excluded: chain G residue 199 THR Chi-restraints excluded: chain G residue 224 GLU Chi-restraints excluded: chain J residue 199 THR Chi-restraints excluded: chain J residue 281 LEU Chi-restraints excluded: chain K residue 199 THR Chi-restraints excluded: chain K residue 281 LEU Chi-restraints excluded: chain M residue 199 THR Chi-restraints excluded: chain M residue 224 GLU Chi-restraints excluded: chain Q residue 199 THR Chi-restraints excluded: chain Q residue 281 LEU Chi-restraints excluded: chain S residue 199 THR Chi-restraints excluded: chain S residue 224 GLU Chi-restraints excluded: chain V residue 199 THR Chi-restraints excluded: chain V residue 224 GLU Chi-restraints excluded: chain Y residue 199 THR Chi-restraints excluded: chain Y residue 281 LEU Chi-restraints excluded: chain Z residue 199 THR Chi-restraints excluded: chain Z residue 224 GLU Chi-restraints excluded: chain 2 residue 199 THR Chi-restraints excluded: chain 2 residue 281 LEU Chi-restraints excluded: chain 5 residue 199 THR Chi-restraints excluded: chain 5 residue 281 LEU Chi-restraints excluded: chain 7 residue 199 THR Chi-restraints excluded: chain 7 residue 224 GLU Chi-restraints excluded: chain 9 residue 199 THR Chi-restraints excluded: chain 9 residue 281 LEU Chi-restraints excluded: chain b residue 199 THR Chi-restraints excluded: chain b residue 224 GLU Chi-restraints excluded: chain f residue 199 THR Chi-restraints excluded: chain f residue 281 LEU Chi-restraints excluded: chain h residue 199 THR Chi-restraints excluded: chain h residue 224 GLU Chi-restraints excluded: chain j residue 199 THR Chi-restraints excluded: chain j residue 281 LEU Chi-restraints excluded: chain l residue 199 THR Chi-restraints excluded: chain l residue 224 GLU Chi-restraints excluded: chain p residue 199 THR Chi-restraints excluded: chain p residue 224 GLU Chi-restraints excluded: chain s residue 199 THR Chi-restraints excluded: chain s residue 281 LEU Chi-restraints excluded: chain t residue 199 THR Chi-restraints excluded: chain t residue 224 GLU Chi-restraints excluded: chain w residue 199 THR Chi-restraints excluded: chain w residue 281 LEU Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1800 random chunks: chunk 908 optimal weight: 7.9990 chunk 507 optimal weight: 0.9980 chunk 1360 optimal weight: 4.9990 chunk 1113 optimal weight: 4.9990 chunk 450 optimal weight: 10.0000 chunk 1637 optimal weight: 1.9990 chunk 1769 optimal weight: 20.0000 chunk 1458 optimal weight: 20.0000 chunk 1623 optimal weight: 6.9990 chunk 558 optimal weight: 10.0000 chunk 1313 optimal weight: 10.0000 overall best weight: 3.9988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Sorry: Reduce crashed with command 'molprobity.reduce -quiet -trim -'. Dumping stdin to file 'reduce_failure.pdb'. Return code: -15 Dumping stderr: