Starting phenix.real_space_refine on Fri Dec 8 02:01:17 2023 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8eqn_28540/12_2023/8eqn_28540.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8eqn_28540/12_2023/8eqn_28540.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=3.7 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8eqn_28540/12_2023/8eqn_28540.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8eqn_28540/12_2023/8eqn_28540.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8eqn_28540/12_2023/8eqn_28540.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8eqn_28540/12_2023/8eqn_28540.pdb" } resolution = 3.7 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= 0.000 sd= 0.002 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 480 5.16 5 C 68580 2.51 5 N 19020 2.21 5 O 19620 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 8": "OE1" <-> "OE2" Residue "A PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 8": "OE1" <-> "OE2" Residue "B PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 8": "OE1" <-> "OE2" Residue "C PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 8": "OE1" <-> "OE2" Residue "D PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 8": "OE1" <-> "OE2" Residue "E PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F GLU 8": "OE1" <-> "OE2" Residue "F PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 8": "OE1" <-> "OE2" Residue "G PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H GLU 8": "OE1" <-> "OE2" Residue "H PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I GLU 8": "OE1" <-> "OE2" Residue "I PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J GLU 8": "OE1" <-> "OE2" Residue "J PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K GLU 8": "OE1" <-> "OE2" Residue "K PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L GLU 8": "OE1" <-> "OE2" Residue "L PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M GLU 8": "OE1" <-> "OE2" Residue "M PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N GLU 8": "OE1" <-> "OE2" Residue "N PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O GLU 8": "OE1" <-> "OE2" Residue "O PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P GLU 8": "OE1" <-> "OE2" Residue "P PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q GLU 8": "OE1" <-> "OE2" Residue "Q PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R GLU 8": "OE1" <-> "OE2" Residue "R PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S GLU 8": "OE1" <-> "OE2" Residue "S PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T GLU 8": "OE1" <-> "OE2" Residue "T PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U GLU 8": "OE1" <-> "OE2" Residue "U PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V GLU 8": "OE1" <-> "OE2" Residue "V PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W GLU 8": "OE1" <-> "OE2" Residue "W PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X GLU 8": "OE1" <-> "OE2" Residue "X PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y GLU 8": "OE1" <-> "OE2" Residue "Y PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z GLU 8": "OE1" <-> "OE2" Residue "Z PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 GLU 8": "OE1" <-> "OE2" Residue "0 PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 GLU 8": "OE1" <-> "OE2" Residue "1 PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 GLU 8": "OE1" <-> "OE2" Residue "2 PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 GLU 8": "OE1" <-> "OE2" Residue "3 PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 GLU 8": "OE1" <-> "OE2" Residue "4 PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 GLU 8": "OE1" <-> "OE2" Residue "5 PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 GLU 8": "OE1" <-> "OE2" Residue "6 PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 GLU 8": "OE1" <-> "OE2" Residue "7 PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 GLU 8": "OE1" <-> "OE2" Residue "8 PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 GLU 8": "OE1" <-> "OE2" Residue "9 PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a GLU 8": "OE1" <-> "OE2" Residue "a PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b GLU 8": "OE1" <-> "OE2" Residue "b PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c GLU 8": "OE1" <-> "OE2" Residue "c PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d GLU 8": "OE1" <-> "OE2" Residue "d PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e GLU 8": "OE1" <-> "OE2" Residue "e PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f GLU 8": "OE1" <-> "OE2" Residue "f PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g GLU 8": "OE1" <-> "OE2" Residue "g PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h GLU 8": "OE1" <-> "OE2" Residue "h PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i GLU 8": "OE1" <-> "OE2" Residue "i PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j GLU 8": "OE1" <-> "OE2" Residue "j PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k GLU 8": "OE1" <-> "OE2" Residue "k PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l GLU 8": "OE1" <-> "OE2" Residue "l PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m GLU 8": "OE1" <-> "OE2" Residue "m PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n GLU 8": "OE1" <-> "OE2" Residue "n PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o GLU 8": "OE1" <-> "OE2" Residue "o PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p GLU 8": "OE1" <-> "OE2" Residue "p PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q GLU 8": "OE1" <-> "OE2" Residue "q PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r GLU 8": "OE1" <-> "OE2" Residue "r PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s GLU 8": "OE1" <-> "OE2" Residue "s PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t GLU 8": "OE1" <-> "OE2" Residue "t PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u GLU 8": "OE1" <-> "OE2" Residue "u PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v GLU 8": "OE1" <-> "OE2" Residue "v PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w GLU 8": "OE1" <-> "OE2" Residue "w PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x GLU 8": "OE1" <-> "OE2" Residue "x PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x TYR 77": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x TYR 97": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x PHE 204": "CD1" <-> "CD2" "CE1" <-> "CE2" Time to flip residues: 0.24s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/chem_data/mon_lib" Total number of atoms: 107700 Number of models: 1 Model: "" Number of chains: 60 Chain: "A" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "B" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "C" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "D" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "E" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "F" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "G" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "H" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "I" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "J" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "K" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "L" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "M" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "N" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "O" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "P" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "Q" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "R" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "S" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "T" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "U" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "V" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "W" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "X" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "Y" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "Z" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "0" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "1" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "2" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "3" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "4" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "5" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "6" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "7" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "8" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "9" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "a" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "b" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "c" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "d" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "e" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "f" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "g" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "h" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "i" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "j" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "k" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "l" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "m" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "n" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "o" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "p" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "q" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "r" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "s" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "t" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "u" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "v" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "w" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Chain: "x" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 233, 1795 Classifications: {'peptide': 233} Link IDs: {'PTRANS': 12, 'TRANS': 220} Time building chain proxies: 43.09, per 1000 atoms: 0.40 Number of scatterers: 107700 At special positions: 0 Unit cell: (258.53, 258.53, 258.53, 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 480 16.00 O 19620 8.00 N 19020 7.00 C 68580 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=0, symmetry=0 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.50 Amino acid : False - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=0, symmetry=0 Time building additional restraints: 29.70 Conformation dependent library (CDL) restraints added in 14.4 seconds 27720 Ramachandran restraints generated. 13860 Oldfield, 0 Emsley, 13860 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 26160 Finding SS restraints... Secondary structure from input PDB file: 660 helices and 180 sheets defined 46.8% alpha, 42.5% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 9.93 Creating SS restraints... Processing helix chain 'A' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS A 23 " --> pdb=" O LYS A 19 " (cutoff:3.500A) Processing helix chain 'A' and resid 39 through 49 Processing helix chain 'A' and resid 49 through 56 Processing helix chain 'A' and resid 62 through 77 Processing helix chain 'A' and resid 78 through 80 No H-bonds generated for 'chain 'A' and resid 78 through 80' Processing helix chain 'A' and resid 116 through 120 Processing helix chain 'A' and resid 121 through 139 Processing helix chain 'A' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS A 147 " --> pdb=" O GLY A 144 " (cutoff:3.500A) Processing helix chain 'A' and resid 157 through 160 Processing helix chain 'A' and resid 210 through 226 Processing helix chain 'A' and resid 227 through 233 Processing helix chain 'B' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS B 23 " --> pdb=" O LYS B 19 " (cutoff:3.500A) Processing helix chain 'B' and resid 39 through 49 Processing helix chain 'B' and resid 49 through 56 Processing helix chain 'B' and resid 62 through 77 Processing helix chain 'B' and resid 78 through 80 No H-bonds generated for 'chain 'B' and resid 78 through 80' Processing helix chain 'B' and resid 116 through 120 Processing helix chain 'B' and resid 121 through 139 Processing helix chain 'B' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS B 147 " --> pdb=" O GLY B 144 " (cutoff:3.500A) Processing helix chain 'B' and resid 157 through 160 Processing helix chain 'B' and resid 210 through 226 Processing helix chain 'B' and resid 227 through 233 Processing helix chain 'C' and resid 13 through 25 removed outlier: 4.045A pdb=" N HIS C 23 " --> pdb=" O LYS C 19 " (cutoff:3.500A) Processing helix chain 'C' and resid 39 through 49 Processing helix chain 'C' and resid 49 through 56 Processing helix chain 'C' and resid 62 through 77 Processing helix chain 'C' and resid 78 through 80 No H-bonds generated for 'chain 'C' and resid 78 through 80' Processing helix chain 'C' and resid 116 through 120 Processing helix chain 'C' and resid 121 through 139 Processing helix chain 'C' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS C 147 " --> pdb=" O GLY C 144 " (cutoff:3.500A) Processing helix chain 'C' and resid 157 through 160 Processing helix chain 'C' and resid 210 through 226 Processing helix chain 'C' and resid 227 through 233 Processing helix chain 'D' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS D 23 " --> pdb=" O LYS D 19 " (cutoff:3.500A) Processing helix chain 'D' and resid 39 through 49 Processing helix chain 'D' and resid 49 through 56 Processing helix chain 'D' and resid 62 through 77 Processing helix chain 'D' and resid 78 through 80 No H-bonds generated for 'chain 'D' and resid 78 through 80' Processing helix chain 'D' and resid 116 through 120 Processing helix chain 'D' and resid 121 through 139 Processing helix chain 'D' and resid 142 through 147 removed outlier: 3.792A pdb=" N LYS D 147 " --> pdb=" O GLY D 144 " (cutoff:3.500A) Processing helix chain 'D' and resid 157 through 160 Processing helix chain 'D' and resid 210 through 226 Processing helix chain 'D' and resid 227 through 233 Processing helix chain 'E' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS E 23 " --> pdb=" O LYS E 19 " (cutoff:3.500A) Processing helix chain 'E' and resid 39 through 49 Processing helix chain 'E' and resid 49 through 56 Processing helix chain 'E' and resid 62 through 77 Processing helix chain 'E' and resid 78 through 80 No H-bonds generated for 'chain 'E' and resid 78 through 80' Processing helix chain 'E' and resid 116 through 120 Processing helix chain 'E' and resid 121 through 139 Processing helix chain 'E' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS E 147 " --> pdb=" O GLY E 144 " (cutoff:3.500A) Processing helix chain 'E' and resid 157 through 160 Processing helix chain 'E' and resid 210 through 226 Processing helix chain 'E' and resid 227 through 233 Processing helix chain 'F' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS F 23 " --> pdb=" O LYS F 19 " (cutoff:3.500A) Processing helix chain 'F' and resid 39 through 49 Processing helix chain 'F' and resid 49 through 56 Processing helix chain 'F' and resid 62 through 77 Processing helix chain 'F' and resid 78 through 80 No H-bonds generated for 'chain 'F' and resid 78 through 80' Processing helix chain 'F' and resid 116 through 120 Processing helix chain 'F' and resid 121 through 139 Processing helix chain 'F' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS F 147 " --> pdb=" O GLY F 144 " (cutoff:3.500A) Processing helix chain 'F' and resid 157 through 160 Processing helix chain 'F' and resid 210 through 226 Processing helix chain 'F' and resid 227 through 233 Processing helix chain 'G' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS G 23 " --> pdb=" O LYS G 19 " (cutoff:3.500A) Processing helix chain 'G' and resid 39 through 49 Processing helix chain 'G' and resid 49 through 56 Processing helix chain 'G' and resid 62 through 77 Processing helix chain 'G' and resid 78 through 80 No H-bonds generated for 'chain 'G' and resid 78 through 80' Processing helix chain 'G' and resid 116 through 120 Processing helix chain 'G' and resid 121 through 139 Processing helix chain 'G' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS G 147 " --> pdb=" O GLY G 144 " (cutoff:3.500A) Processing helix chain 'G' and resid 157 through 160 Processing helix chain 'G' and resid 210 through 226 Processing helix chain 'G' and resid 227 through 233 Processing helix chain 'H' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS H 23 " --> pdb=" O LYS H 19 " (cutoff:3.500A) Processing helix chain 'H' and resid 39 through 49 Processing helix chain 'H' and resid 49 through 56 Processing helix chain 'H' and resid 62 through 77 Processing helix chain 'H' and resid 78 through 80 No H-bonds generated for 'chain 'H' and resid 78 through 80' Processing helix chain 'H' and resid 116 through 120 Processing helix chain 'H' and resid 121 through 139 Processing helix chain 'H' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS H 147 " --> pdb=" O GLY H 144 " (cutoff:3.500A) Processing helix chain 'H' and resid 157 through 160 Processing helix chain 'H' and resid 210 through 226 Processing helix chain 'H' and resid 227 through 233 Processing helix chain 'I' and resid 13 through 25 removed outlier: 4.045A pdb=" N HIS I 23 " --> pdb=" O LYS I 19 " (cutoff:3.500A) Processing helix chain 'I' and resid 39 through 49 Processing helix chain 'I' and resid 49 through 56 Processing helix chain 'I' and resid 62 through 77 Processing helix chain 'I' and resid 78 through 80 No H-bonds generated for 'chain 'I' and resid 78 through 80' Processing helix chain 'I' and resid 116 through 120 Processing helix chain 'I' and resid 121 through 139 Processing helix chain 'I' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS I 147 " --> pdb=" O GLY I 144 " (cutoff:3.500A) Processing helix chain 'I' and resid 157 through 160 Processing helix chain 'I' and resid 210 through 226 Processing helix chain 'I' and resid 227 through 233 Processing helix chain 'J' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS J 23 " --> pdb=" O LYS J 19 " (cutoff:3.500A) Processing helix chain 'J' and resid 39 through 49 Processing helix chain 'J' and resid 49 through 56 Processing helix chain 'J' and resid 62 through 77 Processing helix chain 'J' and resid 78 through 80 No H-bonds generated for 'chain 'J' and resid 78 through 80' Processing helix chain 'J' and resid 116 through 120 Processing helix chain 'J' and resid 121 through 139 Processing helix chain 'J' and resid 142 through 147 removed outlier: 3.792A pdb=" N LYS J 147 " --> pdb=" O GLY J 144 " (cutoff:3.500A) Processing helix chain 'J' and resid 157 through 160 Processing helix chain 'J' and resid 210 through 226 Processing helix chain 'J' and resid 227 through 233 Processing helix chain 'K' and resid 13 through 25 removed outlier: 4.045A pdb=" N HIS K 23 " --> pdb=" O LYS K 19 " (cutoff:3.500A) Processing helix chain 'K' and resid 39 through 49 Processing helix chain 'K' and resid 49 through 56 Processing helix chain 'K' and resid 62 through 77 Processing helix chain 'K' and resid 78 through 80 No H-bonds generated for 'chain 'K' and resid 78 through 80' Processing helix chain 'K' and resid 116 through 120 Processing helix chain 'K' and resid 121 through 139 Processing helix chain 'K' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS K 147 " --> pdb=" O GLY K 144 " (cutoff:3.500A) Processing helix chain 'K' and resid 157 through 160 Processing helix chain 'K' and resid 210 through 226 Processing helix chain 'K' and resid 227 through 233 Processing helix chain 'L' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS L 23 " --> pdb=" O LYS L 19 " (cutoff:3.500A) Processing helix chain 'L' and resid 39 through 49 Processing helix chain 'L' and resid 49 through 56 Processing helix chain 'L' and resid 62 through 77 Processing helix chain 'L' and resid 78 through 80 No H-bonds generated for 'chain 'L' and resid 78 through 80' Processing helix chain 'L' and resid 116 through 120 Processing helix chain 'L' and resid 121 through 139 Processing helix chain 'L' and resid 142 through 147 removed outlier: 3.792A pdb=" N LYS L 147 " --> pdb=" O GLY L 144 " (cutoff:3.500A) Processing helix chain 'L' and resid 157 through 160 Processing helix chain 'L' and resid 210 through 226 Processing helix chain 'L' and resid 227 through 233 Processing helix chain 'M' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS M 23 " --> pdb=" O LYS M 19 " (cutoff:3.500A) Processing helix chain 'M' and resid 39 through 49 Processing helix chain 'M' and resid 49 through 56 Processing helix chain 'M' and resid 62 through 77 Processing helix chain 'M' and resid 78 through 80 No H-bonds generated for 'chain 'M' and resid 78 through 80' Processing helix chain 'M' and resid 116 through 120 Processing helix chain 'M' and resid 121 through 139 Processing helix chain 'M' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS M 147 " --> pdb=" O GLY M 144 " (cutoff:3.500A) Processing helix chain 'M' and resid 157 through 160 Processing helix chain 'M' and resid 210 through 226 Processing helix chain 'M' and resid 227 through 233 Processing helix chain 'N' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS N 23 " --> pdb=" O LYS N 19 " (cutoff:3.500A) Processing helix chain 'N' and resid 39 through 49 Processing helix chain 'N' and resid 49 through 56 Processing helix chain 'N' and resid 62 through 77 Processing helix chain 'N' and resid 78 through 80 No H-bonds generated for 'chain 'N' and resid 78 through 80' Processing helix chain 'N' and resid 116 through 120 Processing helix chain 'N' and resid 121 through 139 Processing helix chain 'N' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS N 147 " --> pdb=" O GLY N 144 " (cutoff:3.500A) Processing helix chain 'N' and resid 157 through 160 Processing helix chain 'N' and resid 210 through 226 Processing helix chain 'N' and resid 227 through 233 Processing helix chain 'O' and resid 13 through 25 removed outlier: 4.047A pdb=" N HIS O 23 " --> pdb=" O LYS O 19 " (cutoff:3.500A) Processing helix chain 'O' and resid 39 through 49 Processing helix chain 'O' and resid 49 through 56 Processing helix chain 'O' and resid 62 through 77 Processing helix chain 'O' and resid 78 through 80 No H-bonds generated for 'chain 'O' and resid 78 through 80' Processing helix chain 'O' and resid 116 through 120 Processing helix chain 'O' and resid 121 through 139 Processing helix chain 'O' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS O 147 " --> pdb=" O GLY O 144 " (cutoff:3.500A) Processing helix chain 'O' and resid 157 through 160 Processing helix chain 'O' and resid 210 through 226 Processing helix chain 'O' and resid 227 through 233 Processing helix chain 'P' and resid 13 through 25 removed outlier: 4.047A pdb=" N HIS P 23 " --> pdb=" O LYS P 19 " (cutoff:3.500A) Processing helix chain 'P' and resid 39 through 49 Processing helix chain 'P' and resid 49 through 56 Processing helix chain 'P' and resid 62 through 77 Processing helix chain 'P' and resid 78 through 80 No H-bonds generated for 'chain 'P' and resid 78 through 80' Processing helix chain 'P' and resid 116 through 120 Processing helix chain 'P' and resid 121 through 139 Processing helix chain 'P' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS P 147 " --> pdb=" O GLY P 144 " (cutoff:3.500A) Processing helix chain 'P' and resid 157 through 160 Processing helix chain 'P' and resid 210 through 226 Processing helix chain 'P' and resid 227 through 233 Processing helix chain 'Q' and resid 13 through 25 removed outlier: 4.045A pdb=" N HIS Q 23 " --> pdb=" O LYS Q 19 " (cutoff:3.500A) Processing helix chain 'Q' and resid 39 through 49 Processing helix chain 'Q' and resid 49 through 56 Processing helix chain 'Q' and resid 62 through 77 Processing helix chain 'Q' and resid 78 through 80 No H-bonds generated for 'chain 'Q' and resid 78 through 80' Processing helix chain 'Q' and resid 116 through 120 Processing helix chain 'Q' and resid 121 through 139 Processing helix chain 'Q' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS Q 147 " --> pdb=" O GLY Q 144 " (cutoff:3.500A) Processing helix chain 'Q' and resid 157 through 160 Processing helix chain 'Q' and resid 210 through 226 Processing helix chain 'Q' and resid 227 through 233 Processing helix chain 'R' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS R 23 " --> pdb=" O LYS R 19 " (cutoff:3.500A) Processing helix chain 'R' and resid 39 through 49 Processing helix chain 'R' and resid 49 through 56 Processing helix chain 'R' and resid 62 through 77 Processing helix chain 'R' and resid 78 through 80 No H-bonds generated for 'chain 'R' and resid 78 through 80' Processing helix chain 'R' and resid 116 through 120 Processing helix chain 'R' and resid 121 through 139 Processing helix chain 'R' and resid 142 through 147 removed outlier: 3.792A pdb=" N LYS R 147 " --> pdb=" O GLY R 144 " (cutoff:3.500A) Processing helix chain 'R' and resid 157 through 160 Processing helix chain 'R' and resid 210 through 226 Processing helix chain 'R' and resid 227 through 233 Processing helix chain 'S' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS S 23 " --> pdb=" O LYS S 19 " (cutoff:3.500A) Processing helix chain 'S' and resid 39 through 49 Processing helix chain 'S' and resid 49 through 56 Processing helix chain 'S' and resid 62 through 77 Processing helix chain 'S' and resid 78 through 80 No H-bonds generated for 'chain 'S' and resid 78 through 80' Processing helix chain 'S' and resid 116 through 120 Processing helix chain 'S' and resid 121 through 139 Processing helix chain 'S' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS S 147 " --> pdb=" O GLY S 144 " (cutoff:3.500A) Processing helix chain 'S' and resid 157 through 160 Processing helix chain 'S' and resid 210 through 226 Processing helix chain 'S' and resid 227 through 233 Processing helix chain 'T' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS T 23 " --> pdb=" O LYS T 19 " (cutoff:3.500A) Processing helix chain 'T' and resid 39 through 49 Processing helix chain 'T' and resid 49 through 56 Processing helix chain 'T' and resid 62 through 77 Processing helix chain 'T' and resid 78 through 80 No H-bonds generated for 'chain 'T' and resid 78 through 80' Processing helix chain 'T' and resid 116 through 120 Processing helix chain 'T' and resid 121 through 139 Processing helix chain 'T' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS T 147 " --> pdb=" O GLY T 144 " (cutoff:3.500A) Processing helix chain 'T' and resid 157 through 160 Processing helix chain 'T' and resid 210 through 226 Processing helix chain 'T' and resid 227 through 233 Processing helix chain 'U' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS U 23 " --> pdb=" O LYS U 19 " (cutoff:3.500A) Processing helix chain 'U' and resid 39 through 49 Processing helix chain 'U' and resid 49 through 56 Processing helix chain 'U' and resid 62 through 77 Processing helix chain 'U' and resid 78 through 80 No H-bonds generated for 'chain 'U' and resid 78 through 80' Processing helix chain 'U' and resid 116 through 120 Processing helix chain 'U' and resid 121 through 139 Processing helix chain 'U' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS U 147 " --> pdb=" O GLY U 144 " (cutoff:3.500A) Processing helix chain 'U' and resid 157 through 160 Processing helix chain 'U' and resid 210 through 226 Processing helix chain 'U' and resid 227 through 233 Processing helix chain 'V' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS V 23 " --> pdb=" O LYS V 19 " (cutoff:3.500A) Processing helix chain 'V' and resid 39 through 49 Processing helix chain 'V' and resid 49 through 56 Processing helix chain 'V' and resid 62 through 77 Processing helix chain 'V' and resid 78 through 80 No H-bonds generated for 'chain 'V' and resid 78 through 80' Processing helix chain 'V' and resid 116 through 120 Processing helix chain 'V' and resid 121 through 139 Processing helix chain 'V' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS V 147 " --> pdb=" O GLY V 144 " (cutoff:3.500A) Processing helix chain 'V' and resid 157 through 160 Processing helix chain 'V' and resid 210 through 226 Processing helix chain 'V' and resid 227 through 233 Processing helix chain 'W' and resid 13 through 25 removed outlier: 4.045A pdb=" N HIS W 23 " --> pdb=" O LYS W 19 " (cutoff:3.500A) Processing helix chain 'W' and resid 39 through 49 Processing helix chain 'W' and resid 49 through 56 Processing helix chain 'W' and resid 62 through 77 Processing helix chain 'W' and resid 78 through 80 No H-bonds generated for 'chain 'W' and resid 78 through 80' Processing helix chain 'W' and resid 116 through 120 Processing helix chain 'W' and resid 121 through 139 Processing helix chain 'W' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS W 147 " --> pdb=" O GLY W 144 " (cutoff:3.500A) Processing helix chain 'W' and resid 157 through 160 Processing helix chain 'W' and resid 210 through 226 Processing helix chain 'W' and resid 227 through 233 Processing helix chain 'X' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS X 23 " --> pdb=" O LYS X 19 " (cutoff:3.500A) Processing helix chain 'X' and resid 39 through 49 Processing helix chain 'X' and resid 49 through 56 Processing helix chain 'X' and resid 62 through 77 Processing helix chain 'X' and resid 78 through 80 No H-bonds generated for 'chain 'X' and resid 78 through 80' Processing helix chain 'X' and resid 116 through 120 Processing helix chain 'X' and resid 121 through 139 Processing helix chain 'X' and resid 142 through 147 removed outlier: 3.792A pdb=" N LYS X 147 " --> pdb=" O GLY X 144 " (cutoff:3.500A) Processing helix chain 'X' and resid 157 through 160 Processing helix chain 'X' and resid 210 through 226 Processing helix chain 'X' and resid 227 through 233 Processing helix chain 'Y' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS Y 23 " --> pdb=" O LYS Y 19 " (cutoff:3.500A) Processing helix chain 'Y' and resid 39 through 49 Processing helix chain 'Y' and resid 49 through 56 Processing helix chain 'Y' and resid 62 through 77 Processing helix chain 'Y' and resid 78 through 80 No H-bonds generated for 'chain 'Y' and resid 78 through 80' Processing helix chain 'Y' and resid 116 through 120 Processing helix chain 'Y' and resid 121 through 139 Processing helix chain 'Y' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS Y 147 " --> pdb=" O GLY Y 144 " (cutoff:3.500A) Processing helix chain 'Y' and resid 157 through 160 Processing helix chain 'Y' and resid 210 through 226 Processing helix chain 'Y' and resid 227 through 233 Processing helix chain 'Z' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS Z 23 " --> pdb=" O LYS Z 19 " (cutoff:3.500A) Processing helix chain 'Z' and resid 39 through 49 Processing helix chain 'Z' and resid 49 through 56 Processing helix chain 'Z' and resid 62 through 77 Processing helix chain 'Z' and resid 78 through 80 No H-bonds generated for 'chain 'Z' and resid 78 through 80' Processing helix chain 'Z' and resid 116 through 120 Processing helix chain 'Z' and resid 121 through 139 Processing helix chain 'Z' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS Z 147 " --> pdb=" O GLY Z 144 " (cutoff:3.500A) Processing helix chain 'Z' and resid 157 through 160 Processing helix chain 'Z' and resid 210 through 226 Processing helix chain 'Z' and resid 227 through 233 Processing helix chain '0' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS 0 23 " --> pdb=" O LYS 0 19 " (cutoff:3.500A) Processing helix chain '0' and resid 39 through 49 Processing helix chain '0' and resid 49 through 56 Processing helix chain '0' and resid 62 through 77 Processing helix chain '0' and resid 78 through 80 No H-bonds generated for 'chain '0' and resid 78 through 80' Processing helix chain '0' and resid 116 through 120 Processing helix chain '0' and resid 121 through 139 Processing helix chain '0' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS 0 147 " --> pdb=" O GLY 0 144 " (cutoff:3.500A) Processing helix chain '0' and resid 157 through 160 Processing helix chain '0' and resid 210 through 226 Processing helix chain '0' and resid 227 through 233 Processing helix chain '1' and resid 13 through 25 removed outlier: 4.047A pdb=" N HIS 1 23 " --> pdb=" O LYS 1 19 " (cutoff:3.500A) Processing helix chain '1' and resid 39 through 49 Processing helix chain '1' and resid 49 through 56 Processing helix chain '1' and resid 62 through 77 Processing helix chain '1' and resid 78 through 80 No H-bonds generated for 'chain '1' and resid 78 through 80' Processing helix chain '1' and resid 116 through 120 Processing helix chain '1' and resid 121 through 139 Processing helix chain '1' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS 1 147 " --> pdb=" O GLY 1 144 " (cutoff:3.500A) Processing helix chain '1' and resid 157 through 160 Processing helix chain '1' and resid 210 through 226 Processing helix chain '1' and resid 227 through 233 Processing helix chain '2' and resid 13 through 25 removed outlier: 4.045A pdb=" N HIS 2 23 " --> pdb=" O LYS 2 19 " (cutoff:3.500A) Processing helix chain '2' and resid 39 through 49 Processing helix chain '2' and resid 49 through 56 Processing helix chain '2' and resid 62 through 77 Processing helix chain '2' and resid 78 through 80 No H-bonds generated for 'chain '2' and resid 78 through 80' Processing helix chain '2' and resid 116 through 120 Processing helix chain '2' and resid 121 through 139 Processing helix chain '2' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS 2 147 " --> pdb=" O GLY 2 144 " (cutoff:3.500A) Processing helix chain '2' and resid 157 through 160 Processing helix chain '2' and resid 210 through 226 Processing helix chain '2' and resid 227 through 233 Processing helix chain '3' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS 3 23 " --> pdb=" O LYS 3 19 " (cutoff:3.500A) Processing helix chain '3' and resid 39 through 49 Processing helix chain '3' and resid 49 through 56 Processing helix chain '3' and resid 62 through 77 Processing helix chain '3' and resid 78 through 80 No H-bonds generated for 'chain '3' and resid 78 through 80' Processing helix chain '3' and resid 116 through 120 Processing helix chain '3' and resid 121 through 139 Processing helix chain '3' and resid 142 through 147 removed outlier: 3.792A pdb=" N LYS 3 147 " --> pdb=" O GLY 3 144 " (cutoff:3.500A) Processing helix chain '3' and resid 157 through 160 Processing helix chain '3' and resid 210 through 226 Processing helix chain '3' and resid 227 through 233 Processing helix chain '4' and resid 13 through 25 removed outlier: 4.045A pdb=" N HIS 4 23 " --> pdb=" O LYS 4 19 " (cutoff:3.500A) Processing helix chain '4' and resid 39 through 49 Processing helix chain '4' and resid 49 through 56 Processing helix chain '4' and resid 62 through 77 Processing helix chain '4' and resid 78 through 80 No H-bonds generated for 'chain '4' and resid 78 through 80' Processing helix chain '4' and resid 116 through 120 Processing helix chain '4' and resid 121 through 139 Processing helix chain '4' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS 4 147 " --> pdb=" O GLY 4 144 " (cutoff:3.500A) Processing helix chain '4' and resid 157 through 160 Processing helix chain '4' and resid 210 through 226 Processing helix chain '4' and resid 227 through 233 Processing helix chain '5' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS 5 23 " --> pdb=" O LYS 5 19 " (cutoff:3.500A) Processing helix chain '5' and resid 39 through 49 Processing helix chain '5' and resid 49 through 56 Processing helix chain '5' and resid 62 through 77 Processing helix chain '5' and resid 78 through 80 No H-bonds generated for 'chain '5' and resid 78 through 80' Processing helix chain '5' and resid 116 through 120 Processing helix chain '5' and resid 121 through 139 Processing helix chain '5' and resid 142 through 147 removed outlier: 3.792A pdb=" N LYS 5 147 " --> pdb=" O GLY 5 144 " (cutoff:3.500A) Processing helix chain '5' and resid 157 through 160 Processing helix chain '5' and resid 210 through 226 Processing helix chain '5' and resid 227 through 233 Processing helix chain '6' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS 6 23 " --> pdb=" O LYS 6 19 " (cutoff:3.500A) Processing helix chain '6' and resid 39 through 49 Processing helix chain '6' and resid 49 through 56 Processing helix chain '6' and resid 62 through 77 Processing helix chain '6' and resid 78 through 80 No H-bonds generated for 'chain '6' and resid 78 through 80' Processing helix chain '6' and resid 116 through 120 Processing helix chain '6' and resid 121 through 139 Processing helix chain '6' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS 6 147 " --> pdb=" O GLY 6 144 " (cutoff:3.500A) Processing helix chain '6' and resid 157 through 160 Processing helix chain '6' and resid 210 through 226 Processing helix chain '6' and resid 227 through 233 Processing helix chain '7' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS 7 23 " --> pdb=" O LYS 7 19 " (cutoff:3.500A) Processing helix chain '7' and resid 39 through 49 Processing helix chain '7' and resid 49 through 56 Processing helix chain '7' and resid 62 through 77 Processing helix chain '7' and resid 78 through 80 No H-bonds generated for 'chain '7' and resid 78 through 80' Processing helix chain '7' and resid 116 through 120 Processing helix chain '7' and resid 121 through 139 Processing helix chain '7' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS 7 147 " --> pdb=" O GLY 7 144 " (cutoff:3.500A) Processing helix chain '7' and resid 157 through 160 Processing helix chain '7' and resid 210 through 226 Processing helix chain '7' and resid 227 through 233 Processing helix chain '8' and resid 13 through 25 removed outlier: 4.047A pdb=" N HIS 8 23 " --> pdb=" O LYS 8 19 " (cutoff:3.500A) Processing helix chain '8' and resid 39 through 49 Processing helix chain '8' and resid 49 through 56 Processing helix chain '8' and resid 62 through 77 Processing helix chain '8' and resid 78 through 80 No H-bonds generated for 'chain '8' and resid 78 through 80' Processing helix chain '8' and resid 116 through 120 Processing helix chain '8' and resid 121 through 139 Processing helix chain '8' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS 8 147 " --> pdb=" O GLY 8 144 " (cutoff:3.500A) Processing helix chain '8' and resid 157 through 160 Processing helix chain '8' and resid 210 through 226 Processing helix chain '8' and resid 227 through 233 Processing helix chain '9' and resid 13 through 25 removed outlier: 4.047A pdb=" N HIS 9 23 " --> pdb=" O LYS 9 19 " (cutoff:3.500A) Processing helix chain '9' and resid 39 through 49 Processing helix chain '9' and resid 49 through 56 Processing helix chain '9' and resid 62 through 77 Processing helix chain '9' and resid 78 through 80 No H-bonds generated for 'chain '9' and resid 78 through 80' Processing helix chain '9' and resid 116 through 120 Processing helix chain '9' and resid 121 through 139 Processing helix chain '9' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS 9 147 " --> pdb=" O GLY 9 144 " (cutoff:3.500A) Processing helix chain '9' and resid 157 through 160 Processing helix chain '9' and resid 210 through 226 Processing helix chain '9' and resid 227 through 233 Processing helix chain 'a' and resid 13 through 25 removed outlier: 4.045A pdb=" N HIS a 23 " --> pdb=" O LYS a 19 " (cutoff:3.500A) Processing helix chain 'a' and resid 39 through 49 Processing helix chain 'a' and resid 49 through 56 Processing helix chain 'a' and resid 62 through 77 Processing helix chain 'a' and resid 78 through 80 No H-bonds generated for 'chain 'a' and resid 78 through 80' Processing helix chain 'a' and resid 116 through 120 Processing helix chain 'a' and resid 121 through 139 Processing helix chain 'a' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS a 147 " --> pdb=" O GLY a 144 " (cutoff:3.500A) Processing helix chain 'a' and resid 157 through 160 Processing helix chain 'a' and resid 210 through 226 Processing helix chain 'a' and resid 227 through 233 Processing helix chain 'b' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS b 23 " --> pdb=" O LYS b 19 " (cutoff:3.500A) Processing helix chain 'b' and resid 39 through 49 Processing helix chain 'b' and resid 49 through 56 Processing helix chain 'b' and resid 62 through 77 Processing helix chain 'b' and resid 78 through 80 No H-bonds generated for 'chain 'b' and resid 78 through 80' Processing helix chain 'b' and resid 116 through 120 Processing helix chain 'b' and resid 121 through 139 Processing helix chain 'b' and resid 142 through 147 removed outlier: 3.792A pdb=" N LYS b 147 " --> pdb=" O GLY b 144 " (cutoff:3.500A) Processing helix chain 'b' and resid 157 through 160 Processing helix chain 'b' and resid 210 through 226 Processing helix chain 'b' and resid 227 through 233 Processing helix chain 'c' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS c 23 " --> pdb=" O LYS c 19 " (cutoff:3.500A) Processing helix chain 'c' and resid 39 through 49 Processing helix chain 'c' and resid 49 through 56 Processing helix chain 'c' and resid 62 through 77 Processing helix chain 'c' and resid 78 through 80 No H-bonds generated for 'chain 'c' and resid 78 through 80' Processing helix chain 'c' and resid 116 through 120 Processing helix chain 'c' and resid 121 through 139 Processing helix chain 'c' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS c 147 " --> pdb=" O GLY c 144 " (cutoff:3.500A) Processing helix chain 'c' and resid 157 through 160 Processing helix chain 'c' and resid 210 through 226 Processing helix chain 'c' and resid 227 through 233 Processing helix chain 'd' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS d 23 " --> pdb=" O LYS d 19 " (cutoff:3.500A) Processing helix chain 'd' and resid 39 through 49 Processing helix chain 'd' and resid 49 through 56 Processing helix chain 'd' and resid 62 through 77 Processing helix chain 'd' and resid 78 through 80 No H-bonds generated for 'chain 'd' and resid 78 through 80' Processing helix chain 'd' and resid 116 through 120 Processing helix chain 'd' and resid 121 through 139 Processing helix chain 'd' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS d 147 " --> pdb=" O GLY d 144 " (cutoff:3.500A) Processing helix chain 'd' and resid 157 through 160 Processing helix chain 'd' and resid 210 through 226 Processing helix chain 'd' and resid 227 through 233 Processing helix chain 'e' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS e 23 " --> pdb=" O LYS e 19 " (cutoff:3.500A) Processing helix chain 'e' and resid 39 through 49 Processing helix chain 'e' and resid 49 through 56 Processing helix chain 'e' and resid 62 through 77 Processing helix chain 'e' and resid 78 through 80 No H-bonds generated for 'chain 'e' and resid 78 through 80' Processing helix chain 'e' and resid 116 through 120 Processing helix chain 'e' and resid 121 through 139 Processing helix chain 'e' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS e 147 " --> pdb=" O GLY e 144 " (cutoff:3.500A) Processing helix chain 'e' and resid 157 through 160 Processing helix chain 'e' and resid 210 through 226 Processing helix chain 'e' and resid 227 through 233 Processing helix chain 'f' and resid 13 through 25 removed outlier: 4.047A pdb=" N HIS f 23 " --> pdb=" O LYS f 19 " (cutoff:3.500A) Processing helix chain 'f' and resid 39 through 49 Processing helix chain 'f' and resid 49 through 56 Processing helix chain 'f' and resid 62 through 77 Processing helix chain 'f' and resid 78 through 80 No H-bonds generated for 'chain 'f' and resid 78 through 80' Processing helix chain 'f' and resid 116 through 120 Processing helix chain 'f' and resid 121 through 139 Processing helix chain 'f' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS f 147 " --> pdb=" O GLY f 144 " (cutoff:3.500A) Processing helix chain 'f' and resid 157 through 160 Processing helix chain 'f' and resid 210 through 226 Processing helix chain 'f' and resid 227 through 233 Processing helix chain 'g' and resid 13 through 25 removed outlier: 4.045A pdb=" N HIS g 23 " --> pdb=" O LYS g 19 " (cutoff:3.500A) Processing helix chain 'g' and resid 39 through 49 Processing helix chain 'g' and resid 49 through 56 Processing helix chain 'g' and resid 62 through 77 Processing helix chain 'g' and resid 78 through 80 No H-bonds generated for 'chain 'g' and resid 78 through 80' Processing helix chain 'g' and resid 116 through 120 Processing helix chain 'g' and resid 121 through 139 Processing helix chain 'g' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS g 147 " --> pdb=" O GLY g 144 " (cutoff:3.500A) Processing helix chain 'g' and resid 157 through 160 Processing helix chain 'g' and resid 210 through 226 Processing helix chain 'g' and resid 227 through 233 Processing helix chain 'h' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS h 23 " --> pdb=" O LYS h 19 " (cutoff:3.500A) Processing helix chain 'h' and resid 39 through 49 Processing helix chain 'h' and resid 49 through 56 Processing helix chain 'h' and resid 62 through 77 Processing helix chain 'h' and resid 78 through 80 No H-bonds generated for 'chain 'h' and resid 78 through 80' Processing helix chain 'h' and resid 116 through 120 Processing helix chain 'h' and resid 121 through 139 Processing helix chain 'h' and resid 142 through 147 removed outlier: 3.792A pdb=" N LYS h 147 " --> pdb=" O GLY h 144 " (cutoff:3.500A) Processing helix chain 'h' and resid 157 through 160 Processing helix chain 'h' and resid 210 through 226 Processing helix chain 'h' and resid 227 through 233 Processing helix chain 'i' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS i 23 " --> pdb=" O LYS i 19 " (cutoff:3.500A) Processing helix chain 'i' and resid 39 through 49 Processing helix chain 'i' and resid 49 through 56 Processing helix chain 'i' and resid 62 through 77 Processing helix chain 'i' and resid 78 through 80 No H-bonds generated for 'chain 'i' and resid 78 through 80' Processing helix chain 'i' and resid 116 through 120 Processing helix chain 'i' and resid 121 through 139 Processing helix chain 'i' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS i 147 " --> pdb=" O GLY i 144 " (cutoff:3.500A) Processing helix chain 'i' and resid 157 through 160 Processing helix chain 'i' and resid 210 through 226 Processing helix chain 'i' and resid 227 through 233 Processing helix chain 'j' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS j 23 " --> pdb=" O LYS j 19 " (cutoff:3.500A) Processing helix chain 'j' and resid 39 through 49 Processing helix chain 'j' and resid 49 through 56 Processing helix chain 'j' and resid 62 through 77 Processing helix chain 'j' and resid 78 through 80 No H-bonds generated for 'chain 'j' and resid 78 through 80' Processing helix chain 'j' and resid 116 through 120 Processing helix chain 'j' and resid 121 through 139 Processing helix chain 'j' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS j 147 " --> pdb=" O GLY j 144 " (cutoff:3.500A) Processing helix chain 'j' and resid 157 through 160 Processing helix chain 'j' and resid 210 through 226 Processing helix chain 'j' and resid 227 through 233 Processing helix chain 'k' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS k 23 " --> pdb=" O LYS k 19 " (cutoff:3.500A) Processing helix chain 'k' and resid 39 through 49 Processing helix chain 'k' and resid 49 through 56 Processing helix chain 'k' and resid 62 through 77 Processing helix chain 'k' and resid 78 through 80 No H-bonds generated for 'chain 'k' and resid 78 through 80' Processing helix chain 'k' and resid 116 through 120 Processing helix chain 'k' and resid 121 through 139 Processing helix chain 'k' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS k 147 " --> pdb=" O GLY k 144 " (cutoff:3.500A) Processing helix chain 'k' and resid 157 through 160 Processing helix chain 'k' and resid 210 through 226 Processing helix chain 'k' and resid 227 through 233 Processing helix chain 'l' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS l 23 " --> pdb=" O LYS l 19 " (cutoff:3.500A) Processing helix chain 'l' and resid 39 through 49 Processing helix chain 'l' and resid 49 through 56 Processing helix chain 'l' and resid 62 through 77 Processing helix chain 'l' and resid 78 through 80 No H-bonds generated for 'chain 'l' and resid 78 through 80' Processing helix chain 'l' and resid 116 through 120 Processing helix chain 'l' and resid 121 through 139 Processing helix chain 'l' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS l 147 " --> pdb=" O GLY l 144 " (cutoff:3.500A) Processing helix chain 'l' and resid 157 through 160 Processing helix chain 'l' and resid 210 through 226 Processing helix chain 'l' and resid 227 through 233 Processing helix chain 'm' and resid 13 through 25 removed outlier: 4.045A pdb=" N HIS m 23 " --> pdb=" O LYS m 19 " (cutoff:3.500A) Processing helix chain 'm' and resid 39 through 49 Processing helix chain 'm' and resid 49 through 56 Processing helix chain 'm' and resid 62 through 77 Processing helix chain 'm' and resid 78 through 80 No H-bonds generated for 'chain 'm' and resid 78 through 80' Processing helix chain 'm' and resid 116 through 120 Processing helix chain 'm' and resid 121 through 139 Processing helix chain 'm' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS m 147 " --> pdb=" O GLY m 144 " (cutoff:3.500A) Processing helix chain 'm' and resid 157 through 160 Processing helix chain 'm' and resid 210 through 226 Processing helix chain 'm' and resid 227 through 233 Processing helix chain 'n' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS n 23 " --> pdb=" O LYS n 19 " (cutoff:3.500A) Processing helix chain 'n' and resid 39 through 49 Processing helix chain 'n' and resid 49 through 56 Processing helix chain 'n' and resid 62 through 77 Processing helix chain 'n' and resid 78 through 80 No H-bonds generated for 'chain 'n' and resid 78 through 80' Processing helix chain 'n' and resid 116 through 120 Processing helix chain 'n' and resid 121 through 139 Processing helix chain 'n' and resid 142 through 147 removed outlier: 3.792A pdb=" N LYS n 147 " --> pdb=" O GLY n 144 " (cutoff:3.500A) Processing helix chain 'n' and resid 157 through 160 Processing helix chain 'n' and resid 210 through 226 Processing helix chain 'n' and resid 227 through 233 Processing helix chain 'o' and resid 13 through 25 removed outlier: 4.045A pdb=" N HIS o 23 " --> pdb=" O LYS o 19 " (cutoff:3.500A) Processing helix chain 'o' and resid 39 through 49 Processing helix chain 'o' and resid 49 through 56 Processing helix chain 'o' and resid 62 through 77 Processing helix chain 'o' and resid 78 through 80 No H-bonds generated for 'chain 'o' and resid 78 through 80' Processing helix chain 'o' and resid 116 through 120 Processing helix chain 'o' and resid 121 through 139 Processing helix chain 'o' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS o 147 " --> pdb=" O GLY o 144 " (cutoff:3.500A) Processing helix chain 'o' and resid 157 through 160 Processing helix chain 'o' and resid 210 through 226 Processing helix chain 'o' and resid 227 through 233 Processing helix chain 'p' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS p 23 " --> pdb=" O LYS p 19 " (cutoff:3.500A) Processing helix chain 'p' and resid 39 through 49 Processing helix chain 'p' and resid 49 through 56 Processing helix chain 'p' and resid 62 through 77 Processing helix chain 'p' and resid 78 through 80 No H-bonds generated for 'chain 'p' and resid 78 through 80' Processing helix chain 'p' and resid 116 through 120 Processing helix chain 'p' and resid 121 through 139 Processing helix chain 'p' and resid 142 through 147 removed outlier: 3.792A pdb=" N LYS p 147 " --> pdb=" O GLY p 144 " (cutoff:3.500A) Processing helix chain 'p' and resid 157 through 160 Processing helix chain 'p' and resid 210 through 226 Processing helix chain 'p' and resid 227 through 233 Processing helix chain 'q' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS q 23 " --> pdb=" O LYS q 19 " (cutoff:3.500A) Processing helix chain 'q' and resid 39 through 49 Processing helix chain 'q' and resid 49 through 56 Processing helix chain 'q' and resid 62 through 77 Processing helix chain 'q' and resid 78 through 80 No H-bonds generated for 'chain 'q' and resid 78 through 80' Processing helix chain 'q' and resid 116 through 120 Processing helix chain 'q' and resid 121 through 139 Processing helix chain 'q' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS q 147 " --> pdb=" O GLY q 144 " (cutoff:3.500A) Processing helix chain 'q' and resid 157 through 160 Processing helix chain 'q' and resid 210 through 226 Processing helix chain 'q' and resid 227 through 233 Processing helix chain 'r' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS r 23 " --> pdb=" O LYS r 19 " (cutoff:3.500A) Processing helix chain 'r' and resid 39 through 49 Processing helix chain 'r' and resid 49 through 56 Processing helix chain 'r' and resid 62 through 77 Processing helix chain 'r' and resid 78 through 80 No H-bonds generated for 'chain 'r' and resid 78 through 80' Processing helix chain 'r' and resid 116 through 120 Processing helix chain 'r' and resid 121 through 139 Processing helix chain 'r' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS r 147 " --> pdb=" O GLY r 144 " (cutoff:3.500A) Processing helix chain 'r' and resid 157 through 160 Processing helix chain 'r' and resid 210 through 226 Processing helix chain 'r' and resid 227 through 233 Processing helix chain 's' and resid 13 through 25 removed outlier: 4.047A pdb=" N HIS s 23 " --> pdb=" O LYS s 19 " (cutoff:3.500A) Processing helix chain 's' and resid 39 through 49 Processing helix chain 's' and resid 49 through 56 Processing helix chain 's' and resid 62 through 77 Processing helix chain 's' and resid 78 through 80 No H-bonds generated for 'chain 's' and resid 78 through 80' Processing helix chain 's' and resid 116 through 120 Processing helix chain 's' and resid 121 through 139 Processing helix chain 's' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS s 147 " --> pdb=" O GLY s 144 " (cutoff:3.500A) Processing helix chain 's' and resid 157 through 160 Processing helix chain 's' and resid 210 through 226 Processing helix chain 's' and resid 227 through 233 Processing helix chain 't' and resid 13 through 25 removed outlier: 4.047A pdb=" N HIS t 23 " --> pdb=" O LYS t 19 " (cutoff:3.500A) Processing helix chain 't' and resid 39 through 49 Processing helix chain 't' and resid 49 through 56 Processing helix chain 't' and resid 62 through 77 Processing helix chain 't' and resid 78 through 80 No H-bonds generated for 'chain 't' and resid 78 through 80' Processing helix chain 't' and resid 116 through 120 Processing helix chain 't' and resid 121 through 139 Processing helix chain 't' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS t 147 " --> pdb=" O GLY t 144 " (cutoff:3.500A) Processing helix chain 't' and resid 157 through 160 Processing helix chain 't' and resid 210 through 226 Processing helix chain 't' and resid 227 through 233 Processing helix chain 'u' and resid 13 through 25 removed outlier: 4.045A pdb=" N HIS u 23 " --> pdb=" O LYS u 19 " (cutoff:3.500A) Processing helix chain 'u' and resid 39 through 49 Processing helix chain 'u' and resid 49 through 56 Processing helix chain 'u' and resid 62 through 77 Processing helix chain 'u' and resid 78 through 80 No H-bonds generated for 'chain 'u' and resid 78 through 80' Processing helix chain 'u' and resid 116 through 120 Processing helix chain 'u' and resid 121 through 139 Processing helix chain 'u' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS u 147 " --> pdb=" O GLY u 144 " (cutoff:3.500A) Processing helix chain 'u' and resid 157 through 160 Processing helix chain 'u' and resid 210 through 226 Processing helix chain 'u' and resid 227 through 233 Processing helix chain 'v' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS v 23 " --> pdb=" O LYS v 19 " (cutoff:3.500A) Processing helix chain 'v' and resid 39 through 49 Processing helix chain 'v' and resid 49 through 56 Processing helix chain 'v' and resid 62 through 77 Processing helix chain 'v' and resid 78 through 80 No H-bonds generated for 'chain 'v' and resid 78 through 80' Processing helix chain 'v' and resid 116 through 120 Processing helix chain 'v' and resid 121 through 139 Processing helix chain 'v' and resid 142 through 147 removed outlier: 3.792A pdb=" N LYS v 147 " --> pdb=" O GLY v 144 " (cutoff:3.500A) Processing helix chain 'v' and resid 157 through 160 Processing helix chain 'v' and resid 210 through 226 Processing helix chain 'v' and resid 227 through 233 Processing helix chain 'w' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS w 23 " --> pdb=" O LYS w 19 " (cutoff:3.500A) Processing helix chain 'w' and resid 39 through 49 Processing helix chain 'w' and resid 49 through 56 Processing helix chain 'w' and resid 62 through 77 Processing helix chain 'w' and resid 78 through 80 No H-bonds generated for 'chain 'w' and resid 78 through 80' Processing helix chain 'w' and resid 116 through 120 Processing helix chain 'w' and resid 121 through 139 Processing helix chain 'w' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS w 147 " --> pdb=" O GLY w 144 " (cutoff:3.500A) Processing helix chain 'w' and resid 157 through 160 Processing helix chain 'w' and resid 210 through 226 Processing helix chain 'w' and resid 227 through 233 Processing helix chain 'x' and resid 13 through 25 removed outlier: 4.046A pdb=" N HIS x 23 " --> pdb=" O LYS x 19 " (cutoff:3.500A) Processing helix chain 'x' and resid 39 through 49 Processing helix chain 'x' and resid 49 through 56 Processing helix chain 'x' and resid 62 through 77 Processing helix chain 'x' and resid 78 through 80 No H-bonds generated for 'chain 'x' and resid 78 through 80' Processing helix chain 'x' and resid 116 through 120 Processing helix chain 'x' and resid 121 through 139 Processing helix chain 'x' and resid 142 through 147 removed outlier: 3.791A pdb=" N LYS x 147 " --> pdb=" O GLY x 144 " (cutoff:3.500A) Processing helix chain 'x' and resid 157 through 160 Processing helix chain 'x' and resid 210 through 226 Processing helix chain 'x' and resid 227 through 233 Processing sheet with id= 1, first strand: chain 'A' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU A 191 " --> pdb=" O VAL A 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL A 187 " --> pdb=" O GLU A 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL A 193 " --> pdb=" O PRO A 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA A 195 " --> pdb=" O GLU A 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU A 183 " --> pdb=" O ALA A 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET A 197 " --> pdb=" O ILE A 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE A 181 " --> pdb=" O MET A 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA A 199 " --> pdb=" O GLY A 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR A 152 " --> pdb=" O LEU A 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE A 178 " --> pdb=" O THR A 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR A 154 " --> pdb=" O ILE A 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG A 180 " --> pdb=" O THR A 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY A 100 " --> pdb=" O ILE A 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN A 155 " --> pdb=" O GLY A 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA A 102 " --> pdb=" O ASN A 155 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'A' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU A 191 " --> pdb=" O VAL A 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL A 187 " --> pdb=" O GLU A 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL A 193 " --> pdb=" O PRO A 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA A 195 " --> pdb=" O GLU A 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU A 183 " --> pdb=" O ALA A 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET A 197 " --> pdb=" O ILE A 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE A 181 " --> pdb=" O MET A 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA A 199 " --> pdb=" O GLY A 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR A 152 " --> pdb=" O LEU A 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE A 178 " --> pdb=" O THR A 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR A 154 " --> pdb=" O ILE A 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG A 180 " --> pdb=" O THR A 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY A 100 " --> pdb=" O ILE A 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN A 155 " --> pdb=" O GLY A 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA A 102 " --> pdb=" O ASN A 155 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain 'A' and resid 82 through 84 Processing sheet with id= 4, first strand: chain 'B' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU B 191 " --> pdb=" O VAL B 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL B 187 " --> pdb=" O GLU B 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL B 193 " --> pdb=" O PRO B 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA B 195 " --> pdb=" O GLU B 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU B 183 " --> pdb=" O ALA B 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET B 197 " --> pdb=" O ILE B 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE B 181 " --> pdb=" O MET B 197 " (cutoff:3.500A) removed outlier: 5.077A pdb=" N ALA B 199 " --> pdb=" O GLY B 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR B 152 " --> pdb=" O LEU B 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE B 178 " --> pdb=" O THR B 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR B 154 " --> pdb=" O ILE B 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG B 180 " --> pdb=" O THR B 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY B 100 " --> pdb=" O ILE B 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN B 155 " --> pdb=" O GLY B 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA B 102 " --> pdb=" O ASN B 155 " (cutoff:3.500A) Processing sheet with id= 5, first strand: chain 'B' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU B 191 " --> pdb=" O VAL B 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL B 187 " --> pdb=" O GLU B 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL B 193 " --> pdb=" O PRO B 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA B 195 " --> pdb=" O GLU B 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU B 183 " --> pdb=" O ALA B 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET B 197 " --> pdb=" O ILE B 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE B 181 " --> pdb=" O MET B 197 " (cutoff:3.500A) removed outlier: 5.077A pdb=" N ALA B 199 " --> pdb=" O GLY B 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR B 152 " --> pdb=" O LEU B 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE B 178 " --> pdb=" O THR B 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR B 154 " --> pdb=" O ILE B 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG B 180 " --> pdb=" O THR B 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY B 100 " --> pdb=" O ILE B 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN B 155 " --> pdb=" O GLY B 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA B 102 " --> pdb=" O ASN B 155 " (cutoff:3.500A) Processing sheet with id= 6, first strand: chain 'B' and resid 82 through 84 Processing sheet with id= 7, first strand: chain 'C' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU C 191 " --> pdb=" O VAL C 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL C 187 " --> pdb=" O GLU C 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL C 193 " --> pdb=" O PRO C 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA C 195 " --> pdb=" O GLU C 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU C 183 " --> pdb=" O ALA C 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET C 197 " --> pdb=" O ILE C 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE C 181 " --> pdb=" O MET C 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA C 199 " --> pdb=" O GLY C 179 " (cutoff:3.500A) removed outlier: 6.793A pdb=" N THR C 152 " --> pdb=" O LEU C 176 " (cutoff:3.500A) removed outlier: 7.846A pdb=" N ILE C 178 " --> pdb=" O THR C 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR C 154 " --> pdb=" O ILE C 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG C 180 " --> pdb=" O THR C 154 " (cutoff:3.500A) removed outlier: 6.400A pdb=" N GLY C 100 " --> pdb=" O ILE C 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN C 155 " --> pdb=" O GLY C 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA C 102 " --> pdb=" O ASN C 155 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'C' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU C 191 " --> pdb=" O VAL C 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL C 187 " --> pdb=" O GLU C 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL C 193 " --> pdb=" O PRO C 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA C 195 " --> pdb=" O GLU C 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU C 183 " --> pdb=" O ALA C 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET C 197 " --> pdb=" O ILE C 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE C 181 " --> pdb=" O MET C 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA C 199 " --> pdb=" O GLY C 179 " (cutoff:3.500A) removed outlier: 6.793A pdb=" N THR C 152 " --> pdb=" O LEU C 176 " (cutoff:3.500A) removed outlier: 7.846A pdb=" N ILE C 178 " --> pdb=" O THR C 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR C 154 " --> pdb=" O ILE C 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG C 180 " --> pdb=" O THR C 154 " (cutoff:3.500A) removed outlier: 6.400A pdb=" N GLY C 100 " --> pdb=" O ILE C 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN C 155 " --> pdb=" O GLY C 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA C 102 " --> pdb=" O ASN C 155 " (cutoff:3.500A) Processing sheet with id= 9, first strand: chain 'C' and resid 82 through 84 Processing sheet with id= 10, first strand: chain 'D' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU D 191 " --> pdb=" O VAL D 187 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VAL D 187 " --> pdb=" O GLU D 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL D 193 " --> pdb=" O PRO D 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA D 195 " --> pdb=" O GLU D 183 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N GLU D 183 " --> pdb=" O ALA D 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET D 197 " --> pdb=" O ILE D 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE D 181 " --> pdb=" O MET D 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA D 199 " --> pdb=" O GLY D 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR D 152 " --> pdb=" O LEU D 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE D 178 " --> pdb=" O THR D 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR D 154 " --> pdb=" O ILE D 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG D 180 " --> pdb=" O THR D 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY D 100 " --> pdb=" O ILE D 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN D 155 " --> pdb=" O GLY D 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA D 102 " --> pdb=" O ASN D 155 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'D' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU D 191 " --> pdb=" O VAL D 187 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VAL D 187 " --> pdb=" O GLU D 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL D 193 " --> pdb=" O PRO D 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA D 195 " --> pdb=" O GLU D 183 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N GLU D 183 " --> pdb=" O ALA D 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET D 197 " --> pdb=" O ILE D 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE D 181 " --> pdb=" O MET D 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA D 199 " --> pdb=" O GLY D 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR D 152 " --> pdb=" O LEU D 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE D 178 " --> pdb=" O THR D 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR D 154 " --> pdb=" O ILE D 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG D 180 " --> pdb=" O THR D 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY D 100 " --> pdb=" O ILE D 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN D 155 " --> pdb=" O GLY D 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA D 102 " --> pdb=" O ASN D 155 " (cutoff:3.500A) Processing sheet with id= 12, first strand: chain 'D' and resid 82 through 84 Processing sheet with id= 13, first strand: chain 'E' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU E 191 " --> pdb=" O VAL E 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL E 187 " --> pdb=" O GLU E 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL E 193 " --> pdb=" O PRO E 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA E 195 " --> pdb=" O GLU E 183 " (cutoff:3.500A) removed outlier: 4.367A pdb=" N GLU E 183 " --> pdb=" O ALA E 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET E 197 " --> pdb=" O ILE E 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE E 181 " --> pdb=" O MET E 197 " (cutoff:3.500A) removed outlier: 5.077A pdb=" N ALA E 199 " --> pdb=" O GLY E 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR E 152 " --> pdb=" O LEU E 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE E 178 " --> pdb=" O THR E 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR E 154 " --> pdb=" O ILE E 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG E 180 " --> pdb=" O THR E 154 " (cutoff:3.500A) removed outlier: 6.400A pdb=" N GLY E 100 " --> pdb=" O ILE E 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN E 155 " --> pdb=" O GLY E 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA E 102 " --> pdb=" O ASN E 155 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'E' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU E 191 " --> pdb=" O VAL E 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL E 187 " --> pdb=" O GLU E 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL E 193 " --> pdb=" O PRO E 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA E 195 " --> pdb=" O GLU E 183 " (cutoff:3.500A) removed outlier: 4.367A pdb=" N GLU E 183 " --> pdb=" O ALA E 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET E 197 " --> pdb=" O ILE E 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE E 181 " --> pdb=" O MET E 197 " (cutoff:3.500A) removed outlier: 5.077A pdb=" N ALA E 199 " --> pdb=" O GLY E 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR E 152 " --> pdb=" O LEU E 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE E 178 " --> pdb=" O THR E 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR E 154 " --> pdb=" O ILE E 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG E 180 " --> pdb=" O THR E 154 " (cutoff:3.500A) removed outlier: 6.400A pdb=" N GLY E 100 " --> pdb=" O ILE E 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN E 155 " --> pdb=" O GLY E 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA E 102 " --> pdb=" O ASN E 155 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'E' and resid 82 through 84 Processing sheet with id= 16, first strand: chain 'F' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU F 191 " --> pdb=" O VAL F 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL F 187 " --> pdb=" O GLU F 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL F 193 " --> pdb=" O PRO F 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA F 195 " --> pdb=" O GLU F 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU F 183 " --> pdb=" O ALA F 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET F 197 " --> pdb=" O ILE F 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE F 181 " --> pdb=" O MET F 197 " (cutoff:3.500A) removed outlier: 5.077A pdb=" N ALA F 199 " --> pdb=" O GLY F 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR F 152 " --> pdb=" O LEU F 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE F 178 " --> pdb=" O THR F 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR F 154 " --> pdb=" O ILE F 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG F 180 " --> pdb=" O THR F 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY F 100 " --> pdb=" O ILE F 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN F 155 " --> pdb=" O GLY F 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA F 102 " --> pdb=" O ASN F 155 " (cutoff:3.500A) Processing sheet with id= 17, first strand: chain 'F' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU F 191 " --> pdb=" O VAL F 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL F 187 " --> pdb=" O GLU F 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL F 193 " --> pdb=" O PRO F 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA F 195 " --> pdb=" O GLU F 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU F 183 " --> pdb=" O ALA F 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET F 197 " --> pdb=" O ILE F 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE F 181 " --> pdb=" O MET F 197 " (cutoff:3.500A) removed outlier: 5.077A pdb=" N ALA F 199 " --> pdb=" O GLY F 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR F 152 " --> pdb=" O LEU F 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE F 178 " --> pdb=" O THR F 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR F 154 " --> pdb=" O ILE F 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG F 180 " --> pdb=" O THR F 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY F 100 " --> pdb=" O ILE F 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN F 155 " --> pdb=" O GLY F 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA F 102 " --> pdb=" O ASN F 155 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain 'F' and resid 82 through 84 Processing sheet with id= 19, first strand: chain 'G' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU G 191 " --> pdb=" O VAL G 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL G 187 " --> pdb=" O GLU G 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL G 193 " --> pdb=" O PRO G 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA G 195 " --> pdb=" O GLU G 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU G 183 " --> pdb=" O ALA G 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET G 197 " --> pdb=" O ILE G 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE G 181 " --> pdb=" O MET G 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA G 199 " --> pdb=" O GLY G 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR G 152 " --> pdb=" O LEU G 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE G 178 " --> pdb=" O THR G 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR G 154 " --> pdb=" O ILE G 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG G 180 " --> pdb=" O THR G 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY G 100 " --> pdb=" O ILE G 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN G 155 " --> pdb=" O GLY G 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA G 102 " --> pdb=" O ASN G 155 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'G' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU G 191 " --> pdb=" O VAL G 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL G 187 " --> pdb=" O GLU G 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL G 193 " --> pdb=" O PRO G 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA G 195 " --> pdb=" O GLU G 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU G 183 " --> pdb=" O ALA G 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET G 197 " --> pdb=" O ILE G 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE G 181 " --> pdb=" O MET G 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA G 199 " --> pdb=" O GLY G 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR G 152 " --> pdb=" O LEU G 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE G 178 " --> pdb=" O THR G 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR G 154 " --> pdb=" O ILE G 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG G 180 " --> pdb=" O THR G 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY G 100 " --> pdb=" O ILE G 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN G 155 " --> pdb=" O GLY G 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA G 102 " --> pdb=" O ASN G 155 " (cutoff:3.500A) Processing sheet with id= 21, first strand: chain 'G' and resid 82 through 84 Processing sheet with id= 22, first strand: chain 'H' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU H 191 " --> pdb=" O VAL H 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL H 187 " --> pdb=" O GLU H 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL H 193 " --> pdb=" O PRO H 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA H 195 " --> pdb=" O GLU H 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU H 183 " --> pdb=" O ALA H 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET H 197 " --> pdb=" O ILE H 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE H 181 " --> pdb=" O MET H 197 " (cutoff:3.500A) removed outlier: 5.077A pdb=" N ALA H 199 " --> pdb=" O GLY H 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR H 152 " --> pdb=" O LEU H 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE H 178 " --> pdb=" O THR H 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR H 154 " --> pdb=" O ILE H 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG H 180 " --> pdb=" O THR H 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY H 100 " --> pdb=" O ILE H 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN H 155 " --> pdb=" O GLY H 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA H 102 " --> pdb=" O ASN H 155 " (cutoff:3.500A) Processing sheet with id= 23, first strand: chain 'H' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU H 191 " --> pdb=" O VAL H 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL H 187 " --> pdb=" O GLU H 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL H 193 " --> pdb=" O PRO H 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA H 195 " --> pdb=" O GLU H 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU H 183 " --> pdb=" O ALA H 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET H 197 " --> pdb=" O ILE H 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE H 181 " --> pdb=" O MET H 197 " (cutoff:3.500A) removed outlier: 5.077A pdb=" N ALA H 199 " --> pdb=" O GLY H 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR H 152 " --> pdb=" O LEU H 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE H 178 " --> pdb=" O THR H 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR H 154 " --> pdb=" O ILE H 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG H 180 " --> pdb=" O THR H 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY H 100 " --> pdb=" O ILE H 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN H 155 " --> pdb=" O GLY H 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA H 102 " --> pdb=" O ASN H 155 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'H' and resid 82 through 84 Processing sheet with id= 25, first strand: chain 'I' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU I 191 " --> pdb=" O VAL I 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL I 187 " --> pdb=" O GLU I 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL I 193 " --> pdb=" O PRO I 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA I 195 " --> pdb=" O GLU I 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU I 183 " --> pdb=" O ALA I 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET I 197 " --> pdb=" O ILE I 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE I 181 " --> pdb=" O MET I 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA I 199 " --> pdb=" O GLY I 179 " (cutoff:3.500A) removed outlier: 6.793A pdb=" N THR I 152 " --> pdb=" O LEU I 176 " (cutoff:3.500A) removed outlier: 7.846A pdb=" N ILE I 178 " --> pdb=" O THR I 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR I 154 " --> pdb=" O ILE I 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG I 180 " --> pdb=" O THR I 154 " (cutoff:3.500A) removed outlier: 6.400A pdb=" N GLY I 100 " --> pdb=" O ILE I 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN I 155 " --> pdb=" O GLY I 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA I 102 " --> pdb=" O ASN I 155 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'I' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU I 191 " --> pdb=" O VAL I 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL I 187 " --> pdb=" O GLU I 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL I 193 " --> pdb=" O PRO I 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA I 195 " --> pdb=" O GLU I 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU I 183 " --> pdb=" O ALA I 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET I 197 " --> pdb=" O ILE I 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE I 181 " --> pdb=" O MET I 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA I 199 " --> pdb=" O GLY I 179 " (cutoff:3.500A) removed outlier: 6.793A pdb=" N THR I 152 " --> pdb=" O LEU I 176 " (cutoff:3.500A) removed outlier: 7.846A pdb=" N ILE I 178 " --> pdb=" O THR I 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR I 154 " --> pdb=" O ILE I 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG I 180 " --> pdb=" O THR I 154 " (cutoff:3.500A) removed outlier: 6.400A pdb=" N GLY I 100 " --> pdb=" O ILE I 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN I 155 " --> pdb=" O GLY I 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA I 102 " --> pdb=" O ASN I 155 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'I' and resid 82 through 84 Processing sheet with id= 28, first strand: chain 'J' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU J 191 " --> pdb=" O VAL J 187 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VAL J 187 " --> pdb=" O GLU J 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL J 193 " --> pdb=" O PRO J 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA J 195 " --> pdb=" O GLU J 183 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N GLU J 183 " --> pdb=" O ALA J 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET J 197 " --> pdb=" O ILE J 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE J 181 " --> pdb=" O MET J 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA J 199 " --> pdb=" O GLY J 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR J 152 " --> pdb=" O LEU J 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE J 178 " --> pdb=" O THR J 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR J 154 " --> pdb=" O ILE J 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG J 180 " --> pdb=" O THR J 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY J 100 " --> pdb=" O ILE J 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN J 155 " --> pdb=" O GLY J 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA J 102 " --> pdb=" O ASN J 155 " (cutoff:3.500A) Processing sheet with id= 29, first strand: chain 'J' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU J 191 " --> pdb=" O VAL J 187 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VAL J 187 " --> pdb=" O GLU J 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL J 193 " --> pdb=" O PRO J 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA J 195 " --> pdb=" O GLU J 183 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N GLU J 183 " --> pdb=" O ALA J 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET J 197 " --> pdb=" O ILE J 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE J 181 " --> pdb=" O MET J 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA J 199 " --> pdb=" O GLY J 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR J 152 " --> pdb=" O LEU J 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE J 178 " --> pdb=" O THR J 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR J 154 " --> pdb=" O ILE J 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG J 180 " --> pdb=" O THR J 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY J 100 " --> pdb=" O ILE J 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN J 155 " --> pdb=" O GLY J 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA J 102 " --> pdb=" O ASN J 155 " (cutoff:3.500A) Processing sheet with id= 30, first strand: chain 'J' and resid 82 through 84 Processing sheet with id= 31, first strand: chain 'K' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU K 191 " --> pdb=" O VAL K 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL K 187 " --> pdb=" O GLU K 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL K 193 " --> pdb=" O PRO K 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA K 195 " --> pdb=" O GLU K 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU K 183 " --> pdb=" O ALA K 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET K 197 " --> pdb=" O ILE K 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE K 181 " --> pdb=" O MET K 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA K 199 " --> pdb=" O GLY K 179 " (cutoff:3.500A) removed outlier: 6.793A pdb=" N THR K 152 " --> pdb=" O LEU K 176 " (cutoff:3.500A) removed outlier: 7.846A pdb=" N ILE K 178 " --> pdb=" O THR K 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR K 154 " --> pdb=" O ILE K 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG K 180 " --> pdb=" O THR K 154 " (cutoff:3.500A) removed outlier: 6.400A pdb=" N GLY K 100 " --> pdb=" O ILE K 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN K 155 " --> pdb=" O GLY K 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA K 102 " --> pdb=" O ASN K 155 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain 'K' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU K 191 " --> pdb=" O VAL K 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL K 187 " --> pdb=" O GLU K 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL K 193 " --> pdb=" O PRO K 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA K 195 " --> pdb=" O GLU K 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU K 183 " --> pdb=" O ALA K 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET K 197 " --> pdb=" O ILE K 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE K 181 " --> pdb=" O MET K 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA K 199 " --> pdb=" O GLY K 179 " (cutoff:3.500A) removed outlier: 6.793A pdb=" N THR K 152 " --> pdb=" O LEU K 176 " (cutoff:3.500A) removed outlier: 7.846A pdb=" N ILE K 178 " --> pdb=" O THR K 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR K 154 " --> pdb=" O ILE K 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG K 180 " --> pdb=" O THR K 154 " (cutoff:3.500A) removed outlier: 6.400A pdb=" N GLY K 100 " --> pdb=" O ILE K 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN K 155 " --> pdb=" O GLY K 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA K 102 " --> pdb=" O ASN K 155 " (cutoff:3.500A) Processing sheet with id= 33, first strand: chain 'K' and resid 82 through 84 Processing sheet with id= 34, first strand: chain 'L' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU L 191 " --> pdb=" O VAL L 187 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VAL L 187 " --> pdb=" O GLU L 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL L 193 " --> pdb=" O PRO L 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA L 195 " --> pdb=" O GLU L 183 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N GLU L 183 " --> pdb=" O ALA L 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET L 197 " --> pdb=" O ILE L 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE L 181 " --> pdb=" O MET L 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA L 199 " --> pdb=" O GLY L 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR L 152 " --> pdb=" O LEU L 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE L 178 " --> pdb=" O THR L 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR L 154 " --> pdb=" O ILE L 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG L 180 " --> pdb=" O THR L 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY L 100 " --> pdb=" O ILE L 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN L 155 " --> pdb=" O GLY L 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA L 102 " --> pdb=" O ASN L 155 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'L' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU L 191 " --> pdb=" O VAL L 187 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VAL L 187 " --> pdb=" O GLU L 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL L 193 " --> pdb=" O PRO L 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA L 195 " --> pdb=" O GLU L 183 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N GLU L 183 " --> pdb=" O ALA L 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET L 197 " --> pdb=" O ILE L 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE L 181 " --> pdb=" O MET L 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA L 199 " --> pdb=" O GLY L 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR L 152 " --> pdb=" O LEU L 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE L 178 " --> pdb=" O THR L 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR L 154 " --> pdb=" O ILE L 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG L 180 " --> pdb=" O THR L 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY L 100 " --> pdb=" O ILE L 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN L 155 " --> pdb=" O GLY L 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA L 102 " --> pdb=" O ASN L 155 " (cutoff:3.500A) Processing sheet with id= 36, first strand: chain 'L' and resid 82 through 84 Processing sheet with id= 37, first strand: chain 'M' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU M 191 " --> pdb=" O VAL M 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL M 187 " --> pdb=" O GLU M 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL M 193 " --> pdb=" O PRO M 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA M 195 " --> pdb=" O GLU M 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU M 183 " --> pdb=" O ALA M 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET M 197 " --> pdb=" O ILE M 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE M 181 " --> pdb=" O MET M 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA M 199 " --> pdb=" O GLY M 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR M 152 " --> pdb=" O LEU M 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE M 178 " --> pdb=" O THR M 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR M 154 " --> pdb=" O ILE M 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG M 180 " --> pdb=" O THR M 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY M 100 " --> pdb=" O ILE M 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN M 155 " --> pdb=" O GLY M 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA M 102 " --> pdb=" O ASN M 155 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'M' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU M 191 " --> pdb=" O VAL M 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL M 187 " --> pdb=" O GLU M 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL M 193 " --> pdb=" O PRO M 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA M 195 " --> pdb=" O GLU M 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU M 183 " --> pdb=" O ALA M 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET M 197 " --> pdb=" O ILE M 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE M 181 " --> pdb=" O MET M 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA M 199 " --> pdb=" O GLY M 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR M 152 " --> pdb=" O LEU M 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE M 178 " --> pdb=" O THR M 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR M 154 " --> pdb=" O ILE M 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG M 180 " --> pdb=" O THR M 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY M 100 " --> pdb=" O ILE M 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN M 155 " --> pdb=" O GLY M 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA M 102 " --> pdb=" O ASN M 155 " (cutoff:3.500A) Processing sheet with id= 39, first strand: chain 'M' and resid 82 through 84 Processing sheet with id= 40, first strand: chain 'N' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU N 191 " --> pdb=" O VAL N 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL N 187 " --> pdb=" O GLU N 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL N 193 " --> pdb=" O PRO N 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA N 195 " --> pdb=" O GLU N 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU N 183 " --> pdb=" O ALA N 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET N 197 " --> pdb=" O ILE N 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE N 181 " --> pdb=" O MET N 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA N 199 " --> pdb=" O GLY N 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR N 152 " --> pdb=" O LEU N 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE N 178 " --> pdb=" O THR N 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR N 154 " --> pdb=" O ILE N 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG N 180 " --> pdb=" O THR N 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY N 100 " --> pdb=" O ILE N 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN N 155 " --> pdb=" O GLY N 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA N 102 " --> pdb=" O ASN N 155 " (cutoff:3.500A) Processing sheet with id= 41, first strand: chain 'N' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU N 191 " --> pdb=" O VAL N 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL N 187 " --> pdb=" O GLU N 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL N 193 " --> pdb=" O PRO N 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA N 195 " --> pdb=" O GLU N 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU N 183 " --> pdb=" O ALA N 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET N 197 " --> pdb=" O ILE N 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE N 181 " --> pdb=" O MET N 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA N 199 " --> pdb=" O GLY N 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR N 152 " --> pdb=" O LEU N 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE N 178 " --> pdb=" O THR N 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR N 154 " --> pdb=" O ILE N 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG N 180 " --> pdb=" O THR N 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY N 100 " --> pdb=" O ILE N 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN N 155 " --> pdb=" O GLY N 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA N 102 " --> pdb=" O ASN N 155 " (cutoff:3.500A) Processing sheet with id= 42, first strand: chain 'N' and resid 82 through 84 Processing sheet with id= 43, first strand: chain 'O' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU O 191 " --> pdb=" O VAL O 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL O 187 " --> pdb=" O GLU O 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL O 193 " --> pdb=" O PRO O 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA O 195 " --> pdb=" O GLU O 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU O 183 " --> pdb=" O ALA O 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET O 197 " --> pdb=" O ILE O 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE O 181 " --> pdb=" O MET O 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA O 199 " --> pdb=" O GLY O 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR O 152 " --> pdb=" O LEU O 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE O 178 " --> pdb=" O THR O 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR O 154 " --> pdb=" O ILE O 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG O 180 " --> pdb=" O THR O 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY O 100 " --> pdb=" O ILE O 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN O 155 " --> pdb=" O GLY O 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA O 102 " --> pdb=" O ASN O 155 " (cutoff:3.500A) Processing sheet with id= 44, first strand: chain 'O' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU O 191 " --> pdb=" O VAL O 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL O 187 " --> pdb=" O GLU O 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL O 193 " --> pdb=" O PRO O 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA O 195 " --> pdb=" O GLU O 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU O 183 " --> pdb=" O ALA O 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET O 197 " --> pdb=" O ILE O 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE O 181 " --> pdb=" O MET O 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA O 199 " --> pdb=" O GLY O 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR O 152 " --> pdb=" O LEU O 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE O 178 " --> pdb=" O THR O 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR O 154 " --> pdb=" O ILE O 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG O 180 " --> pdb=" O THR O 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY O 100 " --> pdb=" O ILE O 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN O 155 " --> pdb=" O GLY O 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA O 102 " --> pdb=" O ASN O 155 " (cutoff:3.500A) Processing sheet with id= 45, first strand: chain 'O' and resid 82 through 84 Processing sheet with id= 46, first strand: chain 'P' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU P 191 " --> pdb=" O VAL P 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL P 187 " --> pdb=" O GLU P 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL P 193 " --> pdb=" O PRO P 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA P 195 " --> pdb=" O GLU P 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU P 183 " --> pdb=" O ALA P 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET P 197 " --> pdb=" O ILE P 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE P 181 " --> pdb=" O MET P 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA P 199 " --> pdb=" O GLY P 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR P 152 " --> pdb=" O LEU P 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE P 178 " --> pdb=" O THR P 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR P 154 " --> pdb=" O ILE P 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG P 180 " --> pdb=" O THR P 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY P 100 " --> pdb=" O ILE P 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN P 155 " --> pdb=" O GLY P 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA P 102 " --> pdb=" O ASN P 155 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'P' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU P 191 " --> pdb=" O VAL P 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL P 187 " --> pdb=" O GLU P 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL P 193 " --> pdb=" O PRO P 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA P 195 " --> pdb=" O GLU P 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU P 183 " --> pdb=" O ALA P 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET P 197 " --> pdb=" O ILE P 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE P 181 " --> pdb=" O MET P 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA P 199 " --> pdb=" O GLY P 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR P 152 " --> pdb=" O LEU P 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE P 178 " --> pdb=" O THR P 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR P 154 " --> pdb=" O ILE P 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG P 180 " --> pdb=" O THR P 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY P 100 " --> pdb=" O ILE P 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN P 155 " --> pdb=" O GLY P 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA P 102 " --> pdb=" O ASN P 155 " (cutoff:3.500A) Processing sheet with id= 48, first strand: chain 'P' and resid 82 through 84 Processing sheet with id= 49, first strand: chain 'Q' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU Q 191 " --> pdb=" O VAL Q 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL Q 187 " --> pdb=" O GLU Q 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL Q 193 " --> pdb=" O PRO Q 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA Q 195 " --> pdb=" O GLU Q 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU Q 183 " --> pdb=" O ALA Q 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET Q 197 " --> pdb=" O ILE Q 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE Q 181 " --> pdb=" O MET Q 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA Q 199 " --> pdb=" O GLY Q 179 " (cutoff:3.500A) removed outlier: 6.793A pdb=" N THR Q 152 " --> pdb=" O LEU Q 176 " (cutoff:3.500A) removed outlier: 7.846A pdb=" N ILE Q 178 " --> pdb=" O THR Q 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR Q 154 " --> pdb=" O ILE Q 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG Q 180 " --> pdb=" O THR Q 154 " (cutoff:3.500A) removed outlier: 6.400A pdb=" N GLY Q 100 " --> pdb=" O ILE Q 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN Q 155 " --> pdb=" O GLY Q 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA Q 102 " --> pdb=" O ASN Q 155 " (cutoff:3.500A) Processing sheet with id= 50, first strand: chain 'Q' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU Q 191 " --> pdb=" O VAL Q 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL Q 187 " --> pdb=" O GLU Q 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL Q 193 " --> pdb=" O PRO Q 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA Q 195 " --> pdb=" O GLU Q 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU Q 183 " --> pdb=" O ALA Q 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET Q 197 " --> pdb=" O ILE Q 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE Q 181 " --> pdb=" O MET Q 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA Q 199 " --> pdb=" O GLY Q 179 " (cutoff:3.500A) removed outlier: 6.793A pdb=" N THR Q 152 " --> pdb=" O LEU Q 176 " (cutoff:3.500A) removed outlier: 7.846A pdb=" N ILE Q 178 " --> pdb=" O THR Q 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR Q 154 " --> pdb=" O ILE Q 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG Q 180 " --> pdb=" O THR Q 154 " (cutoff:3.500A) removed outlier: 6.400A pdb=" N GLY Q 100 " --> pdb=" O ILE Q 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN Q 155 " --> pdb=" O GLY Q 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA Q 102 " --> pdb=" O ASN Q 155 " (cutoff:3.500A) Processing sheet with id= 51, first strand: chain 'Q' and resid 82 through 84 Processing sheet with id= 52, first strand: chain 'R' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU R 191 " --> pdb=" O VAL R 187 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VAL R 187 " --> pdb=" O GLU R 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL R 193 " --> pdb=" O PRO R 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA R 195 " --> pdb=" O GLU R 183 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N GLU R 183 " --> pdb=" O ALA R 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET R 197 " --> pdb=" O ILE R 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE R 181 " --> pdb=" O MET R 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA R 199 " --> pdb=" O GLY R 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR R 152 " --> pdb=" O LEU R 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE R 178 " --> pdb=" O THR R 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR R 154 " --> pdb=" O ILE R 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG R 180 " --> pdb=" O THR R 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY R 100 " --> pdb=" O ILE R 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN R 155 " --> pdb=" O GLY R 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA R 102 " --> pdb=" O ASN R 155 " (cutoff:3.500A) Processing sheet with id= 53, first strand: chain 'R' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU R 191 " --> pdb=" O VAL R 187 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VAL R 187 " --> pdb=" O GLU R 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL R 193 " --> pdb=" O PRO R 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA R 195 " --> pdb=" O GLU R 183 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N GLU R 183 " --> pdb=" O ALA R 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET R 197 " --> pdb=" O ILE R 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE R 181 " --> pdb=" O MET R 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA R 199 " --> pdb=" O GLY R 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR R 152 " --> pdb=" O LEU R 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE R 178 " --> pdb=" O THR R 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR R 154 " --> pdb=" O ILE R 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG R 180 " --> pdb=" O THR R 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY R 100 " --> pdb=" O ILE R 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN R 155 " --> pdb=" O GLY R 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA R 102 " --> pdb=" O ASN R 155 " (cutoff:3.500A) Processing sheet with id= 54, first strand: chain 'R' and resid 82 through 84 Processing sheet with id= 55, first strand: chain 'S' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU S 191 " --> pdb=" O VAL S 187 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VAL S 187 " --> pdb=" O GLU S 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL S 193 " --> pdb=" O PRO S 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA S 195 " --> pdb=" O GLU S 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU S 183 " --> pdb=" O ALA S 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET S 197 " --> pdb=" O ILE S 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE S 181 " --> pdb=" O MET S 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA S 199 " --> pdb=" O GLY S 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR S 152 " --> pdb=" O LEU S 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE S 178 " --> pdb=" O THR S 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR S 154 " --> pdb=" O ILE S 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG S 180 " --> pdb=" O THR S 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY S 100 " --> pdb=" O ILE S 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN S 155 " --> pdb=" O GLY S 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA S 102 " --> pdb=" O ASN S 155 " (cutoff:3.500A) Processing sheet with id= 56, first strand: chain 'S' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU S 191 " --> pdb=" O VAL S 187 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VAL S 187 " --> pdb=" O GLU S 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL S 193 " --> pdb=" O PRO S 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA S 195 " --> pdb=" O GLU S 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU S 183 " --> pdb=" O ALA S 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET S 197 " --> pdb=" O ILE S 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE S 181 " --> pdb=" O MET S 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA S 199 " --> pdb=" O GLY S 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR S 152 " --> pdb=" O LEU S 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE S 178 " --> pdb=" O THR S 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR S 154 " --> pdb=" O ILE S 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG S 180 " --> pdb=" O THR S 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY S 100 " --> pdb=" O ILE S 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN S 155 " --> pdb=" O GLY S 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA S 102 " --> pdb=" O ASN S 155 " (cutoff:3.500A) Processing sheet with id= 57, first strand: chain 'S' and resid 82 through 84 Processing sheet with id= 58, first strand: chain 'T' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU T 191 " --> pdb=" O VAL T 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL T 187 " --> pdb=" O GLU T 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL T 193 " --> pdb=" O PRO T 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA T 195 " --> pdb=" O GLU T 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU T 183 " --> pdb=" O ALA T 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET T 197 " --> pdb=" O ILE T 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE T 181 " --> pdb=" O MET T 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA T 199 " --> pdb=" O GLY T 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR T 152 " --> pdb=" O LEU T 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE T 178 " --> pdb=" O THR T 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR T 154 " --> pdb=" O ILE T 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG T 180 " --> pdb=" O THR T 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY T 100 " --> pdb=" O ILE T 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN T 155 " --> pdb=" O GLY T 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA T 102 " --> pdb=" O ASN T 155 " (cutoff:3.500A) Processing sheet with id= 59, first strand: chain 'T' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU T 191 " --> pdb=" O VAL T 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL T 187 " --> pdb=" O GLU T 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL T 193 " --> pdb=" O PRO T 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA T 195 " --> pdb=" O GLU T 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU T 183 " --> pdb=" O ALA T 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET T 197 " --> pdb=" O ILE T 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE T 181 " --> pdb=" O MET T 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA T 199 " --> pdb=" O GLY T 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR T 152 " --> pdb=" O LEU T 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE T 178 " --> pdb=" O THR T 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR T 154 " --> pdb=" O ILE T 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG T 180 " --> pdb=" O THR T 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY T 100 " --> pdb=" O ILE T 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN T 155 " --> pdb=" O GLY T 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA T 102 " --> pdb=" O ASN T 155 " (cutoff:3.500A) Processing sheet with id= 60, first strand: chain 'T' and resid 82 through 84 Processing sheet with id= 61, first strand: chain 'U' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU U 191 " --> pdb=" O VAL U 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL U 187 " --> pdb=" O GLU U 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL U 193 " --> pdb=" O PRO U 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA U 195 " --> pdb=" O GLU U 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU U 183 " --> pdb=" O ALA U 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET U 197 " --> pdb=" O ILE U 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE U 181 " --> pdb=" O MET U 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA U 199 " --> pdb=" O GLY U 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR U 152 " --> pdb=" O LEU U 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE U 178 " --> pdb=" O THR U 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR U 154 " --> pdb=" O ILE U 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG U 180 " --> pdb=" O THR U 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY U 100 " --> pdb=" O ILE U 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN U 155 " --> pdb=" O GLY U 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA U 102 " --> pdb=" O ASN U 155 " (cutoff:3.500A) Processing sheet with id= 62, first strand: chain 'U' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU U 191 " --> pdb=" O VAL U 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL U 187 " --> pdb=" O GLU U 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL U 193 " --> pdb=" O PRO U 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA U 195 " --> pdb=" O GLU U 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU U 183 " --> pdb=" O ALA U 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET U 197 " --> pdb=" O ILE U 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE U 181 " --> pdb=" O MET U 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA U 199 " --> pdb=" O GLY U 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR U 152 " --> pdb=" O LEU U 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE U 178 " --> pdb=" O THR U 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR U 154 " --> pdb=" O ILE U 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG U 180 " --> pdb=" O THR U 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY U 100 " --> pdb=" O ILE U 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN U 155 " --> pdb=" O GLY U 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA U 102 " --> pdb=" O ASN U 155 " (cutoff:3.500A) Processing sheet with id= 63, first strand: chain 'U' and resid 82 through 84 Processing sheet with id= 64, first strand: chain 'V' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU V 191 " --> pdb=" O VAL V 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL V 187 " --> pdb=" O GLU V 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL V 193 " --> pdb=" O PRO V 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA V 195 " --> pdb=" O GLU V 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU V 183 " --> pdb=" O ALA V 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET V 197 " --> pdb=" O ILE V 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE V 181 " --> pdb=" O MET V 197 " (cutoff:3.500A) removed outlier: 5.077A pdb=" N ALA V 199 " --> pdb=" O GLY V 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR V 152 " --> pdb=" O LEU V 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE V 178 " --> pdb=" O THR V 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR V 154 " --> pdb=" O ILE V 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG V 180 " --> pdb=" O THR V 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY V 100 " --> pdb=" O ILE V 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN V 155 " --> pdb=" O GLY V 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA V 102 " --> pdb=" O ASN V 155 " (cutoff:3.500A) Processing sheet with id= 65, first strand: chain 'V' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU V 191 " --> pdb=" O VAL V 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL V 187 " --> pdb=" O GLU V 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL V 193 " --> pdb=" O PRO V 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA V 195 " --> pdb=" O GLU V 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU V 183 " --> pdb=" O ALA V 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET V 197 " --> pdb=" O ILE V 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE V 181 " --> pdb=" O MET V 197 " (cutoff:3.500A) removed outlier: 5.077A pdb=" N ALA V 199 " --> pdb=" O GLY V 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR V 152 " --> pdb=" O LEU V 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE V 178 " --> pdb=" O THR V 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR V 154 " --> pdb=" O ILE V 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG V 180 " --> pdb=" O THR V 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY V 100 " --> pdb=" O ILE V 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN V 155 " --> pdb=" O GLY V 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA V 102 " --> pdb=" O ASN V 155 " (cutoff:3.500A) Processing sheet with id= 66, first strand: chain 'V' and resid 82 through 84 Processing sheet with id= 67, first strand: chain 'W' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU W 191 " --> pdb=" O VAL W 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL W 187 " --> pdb=" O GLU W 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL W 193 " --> pdb=" O PRO W 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA W 195 " --> pdb=" O GLU W 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU W 183 " --> pdb=" O ALA W 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET W 197 " --> pdb=" O ILE W 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE W 181 " --> pdb=" O MET W 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA W 199 " --> pdb=" O GLY W 179 " (cutoff:3.500A) removed outlier: 6.793A pdb=" N THR W 152 " --> pdb=" O LEU W 176 " (cutoff:3.500A) removed outlier: 7.846A pdb=" N ILE W 178 " --> pdb=" O THR W 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR W 154 " --> pdb=" O ILE W 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG W 180 " --> pdb=" O THR W 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY W 100 " --> pdb=" O ILE W 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN W 155 " --> pdb=" O GLY W 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA W 102 " --> pdb=" O ASN W 155 " (cutoff:3.500A) Processing sheet with id= 68, first strand: chain 'W' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU W 191 " --> pdb=" O VAL W 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL W 187 " --> pdb=" O GLU W 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL W 193 " --> pdb=" O PRO W 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA W 195 " --> pdb=" O GLU W 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU W 183 " --> pdb=" O ALA W 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET W 197 " --> pdb=" O ILE W 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE W 181 " --> pdb=" O MET W 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA W 199 " --> pdb=" O GLY W 179 " (cutoff:3.500A) removed outlier: 6.793A pdb=" N THR W 152 " --> pdb=" O LEU W 176 " (cutoff:3.500A) removed outlier: 7.846A pdb=" N ILE W 178 " --> pdb=" O THR W 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR W 154 " --> pdb=" O ILE W 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG W 180 " --> pdb=" O THR W 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY W 100 " --> pdb=" O ILE W 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN W 155 " --> pdb=" O GLY W 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA W 102 " --> pdb=" O ASN W 155 " (cutoff:3.500A) Processing sheet with id= 69, first strand: chain 'W' and resid 82 through 84 Processing sheet with id= 70, first strand: chain 'X' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU X 191 " --> pdb=" O VAL X 187 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VAL X 187 " --> pdb=" O GLU X 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL X 193 " --> pdb=" O PRO X 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA X 195 " --> pdb=" O GLU X 183 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N GLU X 183 " --> pdb=" O ALA X 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET X 197 " --> pdb=" O ILE X 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE X 181 " --> pdb=" O MET X 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA X 199 " --> pdb=" O GLY X 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR X 152 " --> pdb=" O LEU X 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE X 178 " --> pdb=" O THR X 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR X 154 " --> pdb=" O ILE X 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG X 180 " --> pdb=" O THR X 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY X 100 " --> pdb=" O ILE X 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN X 155 " --> pdb=" O GLY X 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA X 102 " --> pdb=" O ASN X 155 " (cutoff:3.500A) Processing sheet with id= 71, first strand: chain 'X' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU X 191 " --> pdb=" O VAL X 187 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VAL X 187 " --> pdb=" O GLU X 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL X 193 " --> pdb=" O PRO X 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA X 195 " --> pdb=" O GLU X 183 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N GLU X 183 " --> pdb=" O ALA X 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET X 197 " --> pdb=" O ILE X 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE X 181 " --> pdb=" O MET X 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA X 199 " --> pdb=" O GLY X 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR X 152 " --> pdb=" O LEU X 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE X 178 " --> pdb=" O THR X 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR X 154 " --> pdb=" O ILE X 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG X 180 " --> pdb=" O THR X 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY X 100 " --> pdb=" O ILE X 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN X 155 " --> pdb=" O GLY X 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA X 102 " --> pdb=" O ASN X 155 " (cutoff:3.500A) Processing sheet with id= 72, first strand: chain 'X' and resid 82 through 84 Processing sheet with id= 73, first strand: chain 'Y' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU Y 191 " --> pdb=" O VAL Y 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL Y 187 " --> pdb=" O GLU Y 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL Y 193 " --> pdb=" O PRO Y 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA Y 195 " --> pdb=" O GLU Y 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU Y 183 " --> pdb=" O ALA Y 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET Y 197 " --> pdb=" O ILE Y 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE Y 181 " --> pdb=" O MET Y 197 " (cutoff:3.500A) removed outlier: 5.077A pdb=" N ALA Y 199 " --> pdb=" O GLY Y 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR Y 152 " --> pdb=" O LEU Y 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE Y 178 " --> pdb=" O THR Y 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR Y 154 " --> pdb=" O ILE Y 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG Y 180 " --> pdb=" O THR Y 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY Y 100 " --> pdb=" O ILE Y 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN Y 155 " --> pdb=" O GLY Y 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA Y 102 " --> pdb=" O ASN Y 155 " (cutoff:3.500A) Processing sheet with id= 74, first strand: chain 'Y' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU Y 191 " --> pdb=" O VAL Y 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL Y 187 " --> pdb=" O GLU Y 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL Y 193 " --> pdb=" O PRO Y 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA Y 195 " --> pdb=" O GLU Y 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU Y 183 " --> pdb=" O ALA Y 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET Y 197 " --> pdb=" O ILE Y 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE Y 181 " --> pdb=" O MET Y 197 " (cutoff:3.500A) removed outlier: 5.077A pdb=" N ALA Y 199 " --> pdb=" O GLY Y 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR Y 152 " --> pdb=" O LEU Y 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE Y 178 " --> pdb=" O THR Y 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR Y 154 " --> pdb=" O ILE Y 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG Y 180 " --> pdb=" O THR Y 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY Y 100 " --> pdb=" O ILE Y 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN Y 155 " --> pdb=" O GLY Y 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA Y 102 " --> pdb=" O ASN Y 155 " (cutoff:3.500A) Processing sheet with id= 75, first strand: chain 'Y' and resid 82 through 84 Processing sheet with id= 76, first strand: chain 'Z' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU Z 191 " --> pdb=" O VAL Z 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL Z 187 " --> pdb=" O GLU Z 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL Z 193 " --> pdb=" O PRO Z 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA Z 195 " --> pdb=" O GLU Z 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU Z 183 " --> pdb=" O ALA Z 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET Z 197 " --> pdb=" O ILE Z 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE Z 181 " --> pdb=" O MET Z 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA Z 199 " --> pdb=" O GLY Z 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR Z 152 " --> pdb=" O LEU Z 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE Z 178 " --> pdb=" O THR Z 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR Z 154 " --> pdb=" O ILE Z 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG Z 180 " --> pdb=" O THR Z 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY Z 100 " --> pdb=" O ILE Z 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN Z 155 " --> pdb=" O GLY Z 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA Z 102 " --> pdb=" O ASN Z 155 " (cutoff:3.500A) Processing sheet with id= 77, first strand: chain 'Z' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU Z 191 " --> pdb=" O VAL Z 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL Z 187 " --> pdb=" O GLU Z 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL Z 193 " --> pdb=" O PRO Z 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA Z 195 " --> pdb=" O GLU Z 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU Z 183 " --> pdb=" O ALA Z 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET Z 197 " --> pdb=" O ILE Z 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE Z 181 " --> pdb=" O MET Z 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA Z 199 " --> pdb=" O GLY Z 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR Z 152 " --> pdb=" O LEU Z 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE Z 178 " --> pdb=" O THR Z 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR Z 154 " --> pdb=" O ILE Z 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG Z 180 " --> pdb=" O THR Z 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY Z 100 " --> pdb=" O ILE Z 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN Z 155 " --> pdb=" O GLY Z 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA Z 102 " --> pdb=" O ASN Z 155 " (cutoff:3.500A) Processing sheet with id= 78, first strand: chain 'Z' and resid 82 through 84 Processing sheet with id= 79, first strand: chain '0' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU 0 191 " --> pdb=" O VAL 0 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL 0 187 " --> pdb=" O GLU 0 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL 0 193 " --> pdb=" O PRO 0 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA 0 195 " --> pdb=" O GLU 0 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU 0 183 " --> pdb=" O ALA 0 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET 0 197 " --> pdb=" O ILE 0 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE 0 181 " --> pdb=" O MET 0 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA 0 199 " --> pdb=" O GLY 0 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR 0 152 " --> pdb=" O LEU 0 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE 0 178 " --> pdb=" O THR 0 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR 0 154 " --> pdb=" O ILE 0 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG 0 180 " --> pdb=" O THR 0 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY 0 100 " --> pdb=" O ILE 0 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN 0 155 " --> pdb=" O GLY 0 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA 0 102 " --> pdb=" O ASN 0 155 " (cutoff:3.500A) Processing sheet with id= 80, first strand: chain '0' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU 0 191 " --> pdb=" O VAL 0 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL 0 187 " --> pdb=" O GLU 0 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL 0 193 " --> pdb=" O PRO 0 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA 0 195 " --> pdb=" O GLU 0 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU 0 183 " --> pdb=" O ALA 0 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET 0 197 " --> pdb=" O ILE 0 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE 0 181 " --> pdb=" O MET 0 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA 0 199 " --> pdb=" O GLY 0 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR 0 152 " --> pdb=" O LEU 0 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE 0 178 " --> pdb=" O THR 0 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR 0 154 " --> pdb=" O ILE 0 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG 0 180 " --> pdb=" O THR 0 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY 0 100 " --> pdb=" O ILE 0 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN 0 155 " --> pdb=" O GLY 0 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA 0 102 " --> pdb=" O ASN 0 155 " (cutoff:3.500A) Processing sheet with id= 81, first strand: chain '0' and resid 82 through 84 Processing sheet with id= 82, first strand: chain '1' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU 1 191 " --> pdb=" O VAL 1 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL 1 187 " --> pdb=" O GLU 1 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL 1 193 " --> pdb=" O PRO 1 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA 1 195 " --> pdb=" O GLU 1 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU 1 183 " --> pdb=" O ALA 1 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET 1 197 " --> pdb=" O ILE 1 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE 1 181 " --> pdb=" O MET 1 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA 1 199 " --> pdb=" O GLY 1 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR 1 152 " --> pdb=" O LEU 1 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE 1 178 " --> pdb=" O THR 1 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR 1 154 " --> pdb=" O ILE 1 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG 1 180 " --> pdb=" O THR 1 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY 1 100 " --> pdb=" O ILE 1 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN 1 155 " --> pdb=" O GLY 1 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA 1 102 " --> pdb=" O ASN 1 155 " (cutoff:3.500A) Processing sheet with id= 83, first strand: chain '1' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU 1 191 " --> pdb=" O VAL 1 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL 1 187 " --> pdb=" O GLU 1 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL 1 193 " --> pdb=" O PRO 1 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA 1 195 " --> pdb=" O GLU 1 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU 1 183 " --> pdb=" O ALA 1 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET 1 197 " --> pdb=" O ILE 1 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE 1 181 " --> pdb=" O MET 1 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA 1 199 " --> pdb=" O GLY 1 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR 1 152 " --> pdb=" O LEU 1 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE 1 178 " --> pdb=" O THR 1 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR 1 154 " --> pdb=" O ILE 1 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG 1 180 " --> pdb=" O THR 1 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY 1 100 " --> pdb=" O ILE 1 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN 1 155 " --> pdb=" O GLY 1 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA 1 102 " --> pdb=" O ASN 1 155 " (cutoff:3.500A) Processing sheet with id= 84, first strand: chain '1' and resid 82 through 84 Processing sheet with id= 85, first strand: chain '2' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU 2 191 " --> pdb=" O VAL 2 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL 2 187 " --> pdb=" O GLU 2 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL 2 193 " --> pdb=" O PRO 2 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA 2 195 " --> pdb=" O GLU 2 183 " (cutoff:3.500A) removed outlier: 4.367A pdb=" N GLU 2 183 " --> pdb=" O ALA 2 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET 2 197 " --> pdb=" O ILE 2 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE 2 181 " --> pdb=" O MET 2 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA 2 199 " --> pdb=" O GLY 2 179 " (cutoff:3.500A) removed outlier: 6.793A pdb=" N THR 2 152 " --> pdb=" O LEU 2 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE 2 178 " --> pdb=" O THR 2 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR 2 154 " --> pdb=" O ILE 2 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG 2 180 " --> pdb=" O THR 2 154 " (cutoff:3.500A) removed outlier: 6.400A pdb=" N GLY 2 100 " --> pdb=" O ILE 2 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN 2 155 " --> pdb=" O GLY 2 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA 2 102 " --> pdb=" O ASN 2 155 " (cutoff:3.500A) Processing sheet with id= 86, first strand: chain '2' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU 2 191 " --> pdb=" O VAL 2 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL 2 187 " --> pdb=" O GLU 2 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL 2 193 " --> pdb=" O PRO 2 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA 2 195 " --> pdb=" O GLU 2 183 " (cutoff:3.500A) removed outlier: 4.367A pdb=" N GLU 2 183 " --> pdb=" O ALA 2 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET 2 197 " --> pdb=" O ILE 2 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE 2 181 " --> pdb=" O MET 2 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA 2 199 " --> pdb=" O GLY 2 179 " (cutoff:3.500A) removed outlier: 6.793A pdb=" N THR 2 152 " --> pdb=" O LEU 2 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE 2 178 " --> pdb=" O THR 2 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR 2 154 " --> pdb=" O ILE 2 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG 2 180 " --> pdb=" O THR 2 154 " (cutoff:3.500A) removed outlier: 6.400A pdb=" N GLY 2 100 " --> pdb=" O ILE 2 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN 2 155 " --> pdb=" O GLY 2 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA 2 102 " --> pdb=" O ASN 2 155 " (cutoff:3.500A) Processing sheet with id= 87, first strand: chain '2' and resid 82 through 84 Processing sheet with id= 88, first strand: chain '3' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU 3 191 " --> pdb=" O VAL 3 187 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VAL 3 187 " --> pdb=" O GLU 3 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL 3 193 " --> pdb=" O PRO 3 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA 3 195 " --> pdb=" O GLU 3 183 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N GLU 3 183 " --> pdb=" O ALA 3 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET 3 197 " --> pdb=" O ILE 3 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE 3 181 " --> pdb=" O MET 3 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA 3 199 " --> pdb=" O GLY 3 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR 3 152 " --> pdb=" O LEU 3 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE 3 178 " --> pdb=" O THR 3 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR 3 154 " --> pdb=" O ILE 3 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG 3 180 " --> pdb=" O THR 3 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY 3 100 " --> pdb=" O ILE 3 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN 3 155 " --> pdb=" O GLY 3 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA 3 102 " --> pdb=" O ASN 3 155 " (cutoff:3.500A) Processing sheet with id= 89, first strand: chain '3' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU 3 191 " --> pdb=" O VAL 3 187 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VAL 3 187 " --> pdb=" O GLU 3 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL 3 193 " --> pdb=" O PRO 3 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA 3 195 " --> pdb=" O GLU 3 183 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N GLU 3 183 " --> pdb=" O ALA 3 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET 3 197 " --> pdb=" O ILE 3 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE 3 181 " --> pdb=" O MET 3 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA 3 199 " --> pdb=" O GLY 3 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR 3 152 " --> pdb=" O LEU 3 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE 3 178 " --> pdb=" O THR 3 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR 3 154 " --> pdb=" O ILE 3 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG 3 180 " --> pdb=" O THR 3 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY 3 100 " --> pdb=" O ILE 3 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN 3 155 " --> pdb=" O GLY 3 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA 3 102 " --> pdb=" O ASN 3 155 " (cutoff:3.500A) Processing sheet with id= 90, first strand: chain '3' and resid 82 through 84 Processing sheet with id= 91, first strand: chain '4' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU 4 191 " --> pdb=" O VAL 4 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL 4 187 " --> pdb=" O GLU 4 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL 4 193 " --> pdb=" O PRO 4 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA 4 195 " --> pdb=" O GLU 4 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU 4 183 " --> pdb=" O ALA 4 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET 4 197 " --> pdb=" O ILE 4 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE 4 181 " --> pdb=" O MET 4 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA 4 199 " --> pdb=" O GLY 4 179 " (cutoff:3.500A) removed outlier: 6.793A pdb=" N THR 4 152 " --> pdb=" O LEU 4 176 " (cutoff:3.500A) removed outlier: 7.846A pdb=" N ILE 4 178 " --> pdb=" O THR 4 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR 4 154 " --> pdb=" O ILE 4 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG 4 180 " --> pdb=" O THR 4 154 " (cutoff:3.500A) removed outlier: 6.400A pdb=" N GLY 4 100 " --> pdb=" O ILE 4 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN 4 155 " --> pdb=" O GLY 4 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA 4 102 " --> pdb=" O ASN 4 155 " (cutoff:3.500A) Processing sheet with id= 92, first strand: chain '4' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU 4 191 " --> pdb=" O VAL 4 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL 4 187 " --> pdb=" O GLU 4 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL 4 193 " --> pdb=" O PRO 4 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA 4 195 " --> pdb=" O GLU 4 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU 4 183 " --> pdb=" O ALA 4 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET 4 197 " --> pdb=" O ILE 4 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE 4 181 " --> pdb=" O MET 4 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA 4 199 " --> pdb=" O GLY 4 179 " (cutoff:3.500A) removed outlier: 6.793A pdb=" N THR 4 152 " --> pdb=" O LEU 4 176 " (cutoff:3.500A) removed outlier: 7.846A pdb=" N ILE 4 178 " --> pdb=" O THR 4 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR 4 154 " --> pdb=" O ILE 4 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG 4 180 " --> pdb=" O THR 4 154 " (cutoff:3.500A) removed outlier: 6.400A pdb=" N GLY 4 100 " --> pdb=" O ILE 4 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN 4 155 " --> pdb=" O GLY 4 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA 4 102 " --> pdb=" O ASN 4 155 " (cutoff:3.500A) Processing sheet with id= 93, first strand: chain '4' and resid 82 through 84 Processing sheet with id= 94, first strand: chain '5' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU 5 191 " --> pdb=" O VAL 5 187 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VAL 5 187 " --> pdb=" O GLU 5 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL 5 193 " --> pdb=" O PRO 5 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA 5 195 " --> pdb=" O GLU 5 183 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N GLU 5 183 " --> pdb=" O ALA 5 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET 5 197 " --> pdb=" O ILE 5 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE 5 181 " --> pdb=" O MET 5 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA 5 199 " --> pdb=" O GLY 5 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR 5 152 " --> pdb=" O LEU 5 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE 5 178 " --> pdb=" O THR 5 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR 5 154 " --> pdb=" O ILE 5 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG 5 180 " --> pdb=" O THR 5 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY 5 100 " --> pdb=" O ILE 5 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN 5 155 " --> pdb=" O GLY 5 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA 5 102 " --> pdb=" O ASN 5 155 " (cutoff:3.500A) Processing sheet with id= 95, first strand: chain '5' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU 5 191 " --> pdb=" O VAL 5 187 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VAL 5 187 " --> pdb=" O GLU 5 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL 5 193 " --> pdb=" O PRO 5 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA 5 195 " --> pdb=" O GLU 5 183 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N GLU 5 183 " --> pdb=" O ALA 5 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET 5 197 " --> pdb=" O ILE 5 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE 5 181 " --> pdb=" O MET 5 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA 5 199 " --> pdb=" O GLY 5 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR 5 152 " --> pdb=" O LEU 5 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE 5 178 " --> pdb=" O THR 5 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR 5 154 " --> pdb=" O ILE 5 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG 5 180 " --> pdb=" O THR 5 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY 5 100 " --> pdb=" O ILE 5 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN 5 155 " --> pdb=" O GLY 5 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA 5 102 " --> pdb=" O ASN 5 155 " (cutoff:3.500A) Processing sheet with id= 96, first strand: chain '5' and resid 82 through 84 Processing sheet with id= 97, first strand: chain '6' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU 6 191 " --> pdb=" O VAL 6 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL 6 187 " --> pdb=" O GLU 6 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL 6 193 " --> pdb=" O PRO 6 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA 6 195 " --> pdb=" O GLU 6 183 " (cutoff:3.500A) removed outlier: 4.367A pdb=" N GLU 6 183 " --> pdb=" O ALA 6 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET 6 197 " --> pdb=" O ILE 6 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE 6 181 " --> pdb=" O MET 6 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA 6 199 " --> pdb=" O GLY 6 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR 6 152 " --> pdb=" O LEU 6 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE 6 178 " --> pdb=" O THR 6 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR 6 154 " --> pdb=" O ILE 6 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG 6 180 " --> pdb=" O THR 6 154 " (cutoff:3.500A) removed outlier: 6.400A pdb=" N GLY 6 100 " --> pdb=" O ILE 6 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN 6 155 " --> pdb=" O GLY 6 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA 6 102 " --> pdb=" O ASN 6 155 " (cutoff:3.500A) Processing sheet with id= 98, first strand: chain '6' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU 6 191 " --> pdb=" O VAL 6 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL 6 187 " --> pdb=" O GLU 6 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL 6 193 " --> pdb=" O PRO 6 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA 6 195 " --> pdb=" O GLU 6 183 " (cutoff:3.500A) removed outlier: 4.367A pdb=" N GLU 6 183 " --> pdb=" O ALA 6 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET 6 197 " --> pdb=" O ILE 6 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE 6 181 " --> pdb=" O MET 6 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA 6 199 " --> pdb=" O GLY 6 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR 6 152 " --> pdb=" O LEU 6 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE 6 178 " --> pdb=" O THR 6 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR 6 154 " --> pdb=" O ILE 6 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG 6 180 " --> pdb=" O THR 6 154 " (cutoff:3.500A) removed outlier: 6.400A pdb=" N GLY 6 100 " --> pdb=" O ILE 6 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN 6 155 " --> pdb=" O GLY 6 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA 6 102 " --> pdb=" O ASN 6 155 " (cutoff:3.500A) Processing sheet with id= 99, first strand: chain '6' and resid 82 through 84 Processing sheet with id=100, first strand: chain '7' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU 7 191 " --> pdb=" O VAL 7 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL 7 187 " --> pdb=" O GLU 7 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL 7 193 " --> pdb=" O PRO 7 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA 7 195 " --> pdb=" O GLU 7 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU 7 183 " --> pdb=" O ALA 7 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET 7 197 " --> pdb=" O ILE 7 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE 7 181 " --> pdb=" O MET 7 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA 7 199 " --> pdb=" O GLY 7 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR 7 152 " --> pdb=" O LEU 7 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE 7 178 " --> pdb=" O THR 7 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR 7 154 " --> pdb=" O ILE 7 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG 7 180 " --> pdb=" O THR 7 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY 7 100 " --> pdb=" O ILE 7 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN 7 155 " --> pdb=" O GLY 7 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA 7 102 " --> pdb=" O ASN 7 155 " (cutoff:3.500A) Processing sheet with id=101, first strand: chain '7' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU 7 191 " --> pdb=" O VAL 7 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL 7 187 " --> pdb=" O GLU 7 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL 7 193 " --> pdb=" O PRO 7 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA 7 195 " --> pdb=" O GLU 7 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU 7 183 " --> pdb=" O ALA 7 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET 7 197 " --> pdb=" O ILE 7 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE 7 181 " --> pdb=" O MET 7 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA 7 199 " --> pdb=" O GLY 7 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR 7 152 " --> pdb=" O LEU 7 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE 7 178 " --> pdb=" O THR 7 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR 7 154 " --> pdb=" O ILE 7 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG 7 180 " --> pdb=" O THR 7 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY 7 100 " --> pdb=" O ILE 7 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN 7 155 " --> pdb=" O GLY 7 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA 7 102 " --> pdb=" O ASN 7 155 " (cutoff:3.500A) Processing sheet with id=102, first strand: chain '7' and resid 82 through 84 Processing sheet with id=103, first strand: chain '8' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU 8 191 " --> pdb=" O VAL 8 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL 8 187 " --> pdb=" O GLU 8 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL 8 193 " --> pdb=" O PRO 8 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA 8 195 " --> pdb=" O GLU 8 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU 8 183 " --> pdb=" O ALA 8 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET 8 197 " --> pdb=" O ILE 8 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE 8 181 " --> pdb=" O MET 8 197 " (cutoff:3.500A) removed outlier: 5.077A pdb=" N ALA 8 199 " --> pdb=" O GLY 8 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR 8 152 " --> pdb=" O LEU 8 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE 8 178 " --> pdb=" O THR 8 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR 8 154 " --> pdb=" O ILE 8 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG 8 180 " --> pdb=" O THR 8 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY 8 100 " --> pdb=" O ILE 8 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN 8 155 " --> pdb=" O GLY 8 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA 8 102 " --> pdb=" O ASN 8 155 " (cutoff:3.500A) Processing sheet with id=104, first strand: chain '8' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU 8 191 " --> pdb=" O VAL 8 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL 8 187 " --> pdb=" O GLU 8 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL 8 193 " --> pdb=" O PRO 8 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA 8 195 " --> pdb=" O GLU 8 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU 8 183 " --> pdb=" O ALA 8 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET 8 197 " --> pdb=" O ILE 8 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE 8 181 " --> pdb=" O MET 8 197 " (cutoff:3.500A) removed outlier: 5.077A pdb=" N ALA 8 199 " --> pdb=" O GLY 8 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR 8 152 " --> pdb=" O LEU 8 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE 8 178 " --> pdb=" O THR 8 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR 8 154 " --> pdb=" O ILE 8 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG 8 180 " --> pdb=" O THR 8 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY 8 100 " --> pdb=" O ILE 8 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN 8 155 " --> pdb=" O GLY 8 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA 8 102 " --> pdb=" O ASN 8 155 " (cutoff:3.500A) Processing sheet with id=105, first strand: chain '8' and resid 82 through 84 Processing sheet with id=106, first strand: chain '9' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU 9 191 " --> pdb=" O VAL 9 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL 9 187 " --> pdb=" O GLU 9 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL 9 193 " --> pdb=" O PRO 9 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA 9 195 " --> pdb=" O GLU 9 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU 9 183 " --> pdb=" O ALA 9 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET 9 197 " --> pdb=" O ILE 9 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE 9 181 " --> pdb=" O MET 9 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA 9 199 " --> pdb=" O GLY 9 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR 9 152 " --> pdb=" O LEU 9 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE 9 178 " --> pdb=" O THR 9 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR 9 154 " --> pdb=" O ILE 9 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG 9 180 " --> pdb=" O THR 9 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY 9 100 " --> pdb=" O ILE 9 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN 9 155 " --> pdb=" O GLY 9 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA 9 102 " --> pdb=" O ASN 9 155 " (cutoff:3.500A) Processing sheet with id=107, first strand: chain '9' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU 9 191 " --> pdb=" O VAL 9 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL 9 187 " --> pdb=" O GLU 9 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL 9 193 " --> pdb=" O PRO 9 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA 9 195 " --> pdb=" O GLU 9 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU 9 183 " --> pdb=" O ALA 9 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET 9 197 " --> pdb=" O ILE 9 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE 9 181 " --> pdb=" O MET 9 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA 9 199 " --> pdb=" O GLY 9 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR 9 152 " --> pdb=" O LEU 9 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE 9 178 " --> pdb=" O THR 9 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR 9 154 " --> pdb=" O ILE 9 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG 9 180 " --> pdb=" O THR 9 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY 9 100 " --> pdb=" O ILE 9 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN 9 155 " --> pdb=" O GLY 9 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA 9 102 " --> pdb=" O ASN 9 155 " (cutoff:3.500A) Processing sheet with id=108, first strand: chain '9' and resid 82 through 84 Processing sheet with id=109, first strand: chain 'a' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU a 191 " --> pdb=" O VAL a 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL a 187 " --> pdb=" O GLU a 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL a 193 " --> pdb=" O PRO a 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA a 195 " --> pdb=" O GLU a 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU a 183 " --> pdb=" O ALA a 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET a 197 " --> pdb=" O ILE a 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE a 181 " --> pdb=" O MET a 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA a 199 " --> pdb=" O GLY a 179 " (cutoff:3.500A) removed outlier: 6.793A pdb=" N THR a 152 " --> pdb=" O LEU a 176 " (cutoff:3.500A) removed outlier: 7.846A pdb=" N ILE a 178 " --> pdb=" O THR a 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR a 154 " --> pdb=" O ILE a 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG a 180 " --> pdb=" O THR a 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY a 100 " --> pdb=" O ILE a 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN a 155 " --> pdb=" O GLY a 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA a 102 " --> pdb=" O ASN a 155 " (cutoff:3.500A) Processing sheet with id=110, first strand: chain 'a' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU a 191 " --> pdb=" O VAL a 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL a 187 " --> pdb=" O GLU a 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL a 193 " --> pdb=" O PRO a 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA a 195 " --> pdb=" O GLU a 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU a 183 " --> pdb=" O ALA a 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET a 197 " --> pdb=" O ILE a 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE a 181 " --> pdb=" O MET a 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA a 199 " --> pdb=" O GLY a 179 " (cutoff:3.500A) removed outlier: 6.793A pdb=" N THR a 152 " --> pdb=" O LEU a 176 " (cutoff:3.500A) removed outlier: 7.846A pdb=" N ILE a 178 " --> pdb=" O THR a 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR a 154 " --> pdb=" O ILE a 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG a 180 " --> pdb=" O THR a 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY a 100 " --> pdb=" O ILE a 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN a 155 " --> pdb=" O GLY a 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA a 102 " --> pdb=" O ASN a 155 " (cutoff:3.500A) Processing sheet with id=111, first strand: chain 'a' and resid 82 through 84 Processing sheet with id=112, first strand: chain 'b' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU b 191 " --> pdb=" O VAL b 187 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VAL b 187 " --> pdb=" O GLU b 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL b 193 " --> pdb=" O PRO b 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA b 195 " --> pdb=" O GLU b 183 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N GLU b 183 " --> pdb=" O ALA b 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET b 197 " --> pdb=" O ILE b 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE b 181 " --> pdb=" O MET b 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA b 199 " --> pdb=" O GLY b 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR b 152 " --> pdb=" O LEU b 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE b 178 " --> pdb=" O THR b 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR b 154 " --> pdb=" O ILE b 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG b 180 " --> pdb=" O THR b 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY b 100 " --> pdb=" O ILE b 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN b 155 " --> pdb=" O GLY b 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA b 102 " --> pdb=" O ASN b 155 " (cutoff:3.500A) Processing sheet with id=113, first strand: chain 'b' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU b 191 " --> pdb=" O VAL b 187 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VAL b 187 " --> pdb=" O GLU b 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL b 193 " --> pdb=" O PRO b 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA b 195 " --> pdb=" O GLU b 183 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N GLU b 183 " --> pdb=" O ALA b 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET b 197 " --> pdb=" O ILE b 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE b 181 " --> pdb=" O MET b 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA b 199 " --> pdb=" O GLY b 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR b 152 " --> pdb=" O LEU b 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE b 178 " --> pdb=" O THR b 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR b 154 " --> pdb=" O ILE b 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG b 180 " --> pdb=" O THR b 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY b 100 " --> pdb=" O ILE b 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN b 155 " --> pdb=" O GLY b 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA b 102 " --> pdb=" O ASN b 155 " (cutoff:3.500A) Processing sheet with id=114, first strand: chain 'b' and resid 82 through 84 Processing sheet with id=115, first strand: chain 'c' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU c 191 " --> pdb=" O VAL c 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL c 187 " --> pdb=" O GLU c 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL c 193 " --> pdb=" O PRO c 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA c 195 " --> pdb=" O GLU c 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU c 183 " --> pdb=" O ALA c 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET c 197 " --> pdb=" O ILE c 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE c 181 " --> pdb=" O MET c 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA c 199 " --> pdb=" O GLY c 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR c 152 " --> pdb=" O LEU c 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE c 178 " --> pdb=" O THR c 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR c 154 " --> pdb=" O ILE c 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG c 180 " --> pdb=" O THR c 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY c 100 " --> pdb=" O ILE c 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN c 155 " --> pdb=" O GLY c 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA c 102 " --> pdb=" O ASN c 155 " (cutoff:3.500A) Processing sheet with id=116, first strand: chain 'c' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU c 191 " --> pdb=" O VAL c 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL c 187 " --> pdb=" O GLU c 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL c 193 " --> pdb=" O PRO c 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA c 195 " --> pdb=" O GLU c 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU c 183 " --> pdb=" O ALA c 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET c 197 " --> pdb=" O ILE c 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE c 181 " --> pdb=" O MET c 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA c 199 " --> pdb=" O GLY c 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR c 152 " --> pdb=" O LEU c 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE c 178 " --> pdb=" O THR c 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR c 154 " --> pdb=" O ILE c 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG c 180 " --> pdb=" O THR c 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY c 100 " --> pdb=" O ILE c 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN c 155 " --> pdb=" O GLY c 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA c 102 " --> pdb=" O ASN c 155 " (cutoff:3.500A) Processing sheet with id=117, first strand: chain 'c' and resid 82 through 84 Processing sheet with id=118, first strand: chain 'd' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU d 191 " --> pdb=" O VAL d 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL d 187 " --> pdb=" O GLU d 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL d 193 " --> pdb=" O PRO d 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA d 195 " --> pdb=" O GLU d 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU d 183 " --> pdb=" O ALA d 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET d 197 " --> pdb=" O ILE d 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE d 181 " --> pdb=" O MET d 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA d 199 " --> pdb=" O GLY d 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR d 152 " --> pdb=" O LEU d 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE d 178 " --> pdb=" O THR d 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR d 154 " --> pdb=" O ILE d 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG d 180 " --> pdb=" O THR d 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY d 100 " --> pdb=" O ILE d 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN d 155 " --> pdb=" O GLY d 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA d 102 " --> pdb=" O ASN d 155 " (cutoff:3.500A) Processing sheet with id=119, first strand: chain 'd' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU d 191 " --> pdb=" O VAL d 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL d 187 " --> pdb=" O GLU d 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL d 193 " --> pdb=" O PRO d 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA d 195 " --> pdb=" O GLU d 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU d 183 " --> pdb=" O ALA d 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET d 197 " --> pdb=" O ILE d 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE d 181 " --> pdb=" O MET d 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA d 199 " --> pdb=" O GLY d 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR d 152 " --> pdb=" O LEU d 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE d 178 " --> pdb=" O THR d 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR d 154 " --> pdb=" O ILE d 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG d 180 " --> pdb=" O THR d 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY d 100 " --> pdb=" O ILE d 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN d 155 " --> pdb=" O GLY d 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA d 102 " --> pdb=" O ASN d 155 " (cutoff:3.500A) Processing sheet with id=120, first strand: chain 'd' and resid 82 through 84 Processing sheet with id=121, first strand: chain 'e' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU e 191 " --> pdb=" O VAL e 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL e 187 " --> pdb=" O GLU e 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL e 193 " --> pdb=" O PRO e 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA e 195 " --> pdb=" O GLU e 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU e 183 " --> pdb=" O ALA e 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET e 197 " --> pdb=" O ILE e 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE e 181 " --> pdb=" O MET e 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA e 199 " --> pdb=" O GLY e 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR e 152 " --> pdb=" O LEU e 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE e 178 " --> pdb=" O THR e 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR e 154 " --> pdb=" O ILE e 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG e 180 " --> pdb=" O THR e 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY e 100 " --> pdb=" O ILE e 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN e 155 " --> pdb=" O GLY e 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA e 102 " --> pdb=" O ASN e 155 " (cutoff:3.500A) Processing sheet with id=122, first strand: chain 'e' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU e 191 " --> pdb=" O VAL e 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL e 187 " --> pdb=" O GLU e 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL e 193 " --> pdb=" O PRO e 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA e 195 " --> pdb=" O GLU e 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU e 183 " --> pdb=" O ALA e 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET e 197 " --> pdb=" O ILE e 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE e 181 " --> pdb=" O MET e 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA e 199 " --> pdb=" O GLY e 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR e 152 " --> pdb=" O LEU e 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE e 178 " --> pdb=" O THR e 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR e 154 " --> pdb=" O ILE e 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG e 180 " --> pdb=" O THR e 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY e 100 " --> pdb=" O ILE e 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN e 155 " --> pdb=" O GLY e 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA e 102 " --> pdb=" O ASN e 155 " (cutoff:3.500A) Processing sheet with id=123, first strand: chain 'e' and resid 82 through 84 Processing sheet with id=124, first strand: chain 'f' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU f 191 " --> pdb=" O VAL f 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL f 187 " --> pdb=" O GLU f 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL f 193 " --> pdb=" O PRO f 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA f 195 " --> pdb=" O GLU f 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU f 183 " --> pdb=" O ALA f 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET f 197 " --> pdb=" O ILE f 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE f 181 " --> pdb=" O MET f 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA f 199 " --> pdb=" O GLY f 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR f 152 " --> pdb=" O LEU f 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE f 178 " --> pdb=" O THR f 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR f 154 " --> pdb=" O ILE f 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG f 180 " --> pdb=" O THR f 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY f 100 " --> pdb=" O ILE f 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN f 155 " --> pdb=" O GLY f 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA f 102 " --> pdb=" O ASN f 155 " (cutoff:3.500A) Processing sheet with id=125, first strand: chain 'f' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU f 191 " --> pdb=" O VAL f 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL f 187 " --> pdb=" O GLU f 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL f 193 " --> pdb=" O PRO f 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA f 195 " --> pdb=" O GLU f 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU f 183 " --> pdb=" O ALA f 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET f 197 " --> pdb=" O ILE f 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE f 181 " --> pdb=" O MET f 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA f 199 " --> pdb=" O GLY f 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR f 152 " --> pdb=" O LEU f 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE f 178 " --> pdb=" O THR f 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR f 154 " --> pdb=" O ILE f 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG f 180 " --> pdb=" O THR f 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY f 100 " --> pdb=" O ILE f 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN f 155 " --> pdb=" O GLY f 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA f 102 " --> pdb=" O ASN f 155 " (cutoff:3.500A) Processing sheet with id=126, first strand: chain 'f' and resid 82 through 84 Processing sheet with id=127, first strand: chain 'g' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU g 191 " --> pdb=" O VAL g 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL g 187 " --> pdb=" O GLU g 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL g 193 " --> pdb=" O PRO g 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA g 195 " --> pdb=" O GLU g 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU g 183 " --> pdb=" O ALA g 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET g 197 " --> pdb=" O ILE g 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE g 181 " --> pdb=" O MET g 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA g 199 " --> pdb=" O GLY g 179 " (cutoff:3.500A) removed outlier: 6.793A pdb=" N THR g 152 " --> pdb=" O LEU g 176 " (cutoff:3.500A) removed outlier: 7.846A pdb=" N ILE g 178 " --> pdb=" O THR g 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR g 154 " --> pdb=" O ILE g 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG g 180 " --> pdb=" O THR g 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY g 100 " --> pdb=" O ILE g 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN g 155 " --> pdb=" O GLY g 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA g 102 " --> pdb=" O ASN g 155 " (cutoff:3.500A) Processing sheet with id=128, first strand: chain 'g' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU g 191 " --> pdb=" O VAL g 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL g 187 " --> pdb=" O GLU g 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL g 193 " --> pdb=" O PRO g 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA g 195 " --> pdb=" O GLU g 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU g 183 " --> pdb=" O ALA g 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET g 197 " --> pdb=" O ILE g 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE g 181 " --> pdb=" O MET g 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA g 199 " --> pdb=" O GLY g 179 " (cutoff:3.500A) removed outlier: 6.793A pdb=" N THR g 152 " --> pdb=" O LEU g 176 " (cutoff:3.500A) removed outlier: 7.846A pdb=" N ILE g 178 " --> pdb=" O THR g 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR g 154 " --> pdb=" O ILE g 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG g 180 " --> pdb=" O THR g 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY g 100 " --> pdb=" O ILE g 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN g 155 " --> pdb=" O GLY g 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA g 102 " --> pdb=" O ASN g 155 " (cutoff:3.500A) Processing sheet with id=129, first strand: chain 'g' and resid 82 through 84 Processing sheet with id=130, first strand: chain 'h' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU h 191 " --> pdb=" O VAL h 187 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VAL h 187 " --> pdb=" O GLU h 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL h 193 " --> pdb=" O PRO h 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA h 195 " --> pdb=" O GLU h 183 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N GLU h 183 " --> pdb=" O ALA h 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET h 197 " --> pdb=" O ILE h 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE h 181 " --> pdb=" O MET h 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA h 199 " --> pdb=" O GLY h 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR h 152 " --> pdb=" O LEU h 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE h 178 " --> pdb=" O THR h 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR h 154 " --> pdb=" O ILE h 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG h 180 " --> pdb=" O THR h 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY h 100 " --> pdb=" O ILE h 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN h 155 " --> pdb=" O GLY h 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA h 102 " --> pdb=" O ASN h 155 " (cutoff:3.500A) Processing sheet with id=131, first strand: chain 'h' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU h 191 " --> pdb=" O VAL h 187 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VAL h 187 " --> pdb=" O GLU h 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL h 193 " --> pdb=" O PRO h 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA h 195 " --> pdb=" O GLU h 183 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N GLU h 183 " --> pdb=" O ALA h 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET h 197 " --> pdb=" O ILE h 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE h 181 " --> pdb=" O MET h 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA h 199 " --> pdb=" O GLY h 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR h 152 " --> pdb=" O LEU h 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE h 178 " --> pdb=" O THR h 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR h 154 " --> pdb=" O ILE h 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG h 180 " --> pdb=" O THR h 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY h 100 " --> pdb=" O ILE h 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN h 155 " --> pdb=" O GLY h 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA h 102 " --> pdb=" O ASN h 155 " (cutoff:3.500A) Processing sheet with id=132, first strand: chain 'h' and resid 82 through 84 Processing sheet with id=133, first strand: chain 'i' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU i 191 " --> pdb=" O VAL i 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL i 187 " --> pdb=" O GLU i 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL i 193 " --> pdb=" O PRO i 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA i 195 " --> pdb=" O GLU i 183 " (cutoff:3.500A) removed outlier: 4.367A pdb=" N GLU i 183 " --> pdb=" O ALA i 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET i 197 " --> pdb=" O ILE i 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE i 181 " --> pdb=" O MET i 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA i 199 " --> pdb=" O GLY i 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR i 152 " --> pdb=" O LEU i 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE i 178 " --> pdb=" O THR i 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR i 154 " --> pdb=" O ILE i 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG i 180 " --> pdb=" O THR i 154 " (cutoff:3.500A) removed outlier: 6.400A pdb=" N GLY i 100 " --> pdb=" O ILE i 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN i 155 " --> pdb=" O GLY i 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA i 102 " --> pdb=" O ASN i 155 " (cutoff:3.500A) Processing sheet with id=134, first strand: chain 'i' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU i 191 " --> pdb=" O VAL i 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL i 187 " --> pdb=" O GLU i 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL i 193 " --> pdb=" O PRO i 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA i 195 " --> pdb=" O GLU i 183 " (cutoff:3.500A) removed outlier: 4.367A pdb=" N GLU i 183 " --> pdb=" O ALA i 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET i 197 " --> pdb=" O ILE i 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE i 181 " --> pdb=" O MET i 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA i 199 " --> pdb=" O GLY i 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR i 152 " --> pdb=" O LEU i 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE i 178 " --> pdb=" O THR i 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR i 154 " --> pdb=" O ILE i 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG i 180 " --> pdb=" O THR i 154 " (cutoff:3.500A) removed outlier: 6.400A pdb=" N GLY i 100 " --> pdb=" O ILE i 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN i 155 " --> pdb=" O GLY i 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA i 102 " --> pdb=" O ASN i 155 " (cutoff:3.500A) Processing sheet with id=135, first strand: chain 'i' and resid 82 through 84 Processing sheet with id=136, first strand: chain 'j' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU j 191 " --> pdb=" O VAL j 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL j 187 " --> pdb=" O GLU j 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL j 193 " --> pdb=" O PRO j 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA j 195 " --> pdb=" O GLU j 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU j 183 " --> pdb=" O ALA j 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET j 197 " --> pdb=" O ILE j 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE j 181 " --> pdb=" O MET j 197 " (cutoff:3.500A) removed outlier: 5.077A pdb=" N ALA j 199 " --> pdb=" O GLY j 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR j 152 " --> pdb=" O LEU j 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE j 178 " --> pdb=" O THR j 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR j 154 " --> pdb=" O ILE j 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG j 180 " --> pdb=" O THR j 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY j 100 " --> pdb=" O ILE j 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN j 155 " --> pdb=" O GLY j 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA j 102 " --> pdb=" O ASN j 155 " (cutoff:3.500A) Processing sheet with id=137, first strand: chain 'j' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU j 191 " --> pdb=" O VAL j 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL j 187 " --> pdb=" O GLU j 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL j 193 " --> pdb=" O PRO j 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA j 195 " --> pdb=" O GLU j 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU j 183 " --> pdb=" O ALA j 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET j 197 " --> pdb=" O ILE j 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE j 181 " --> pdb=" O MET j 197 " (cutoff:3.500A) removed outlier: 5.077A pdb=" N ALA j 199 " --> pdb=" O GLY j 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR j 152 " --> pdb=" O LEU j 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE j 178 " --> pdb=" O THR j 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR j 154 " --> pdb=" O ILE j 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG j 180 " --> pdb=" O THR j 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY j 100 " --> pdb=" O ILE j 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN j 155 " --> pdb=" O GLY j 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA j 102 " --> pdb=" O ASN j 155 " (cutoff:3.500A) Processing sheet with id=138, first strand: chain 'j' and resid 82 through 84 Processing sheet with id=139, first strand: chain 'k' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU k 191 " --> pdb=" O VAL k 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL k 187 " --> pdb=" O GLU k 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL k 193 " --> pdb=" O PRO k 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA k 195 " --> pdb=" O GLU k 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU k 183 " --> pdb=" O ALA k 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET k 197 " --> pdb=" O ILE k 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE k 181 " --> pdb=" O MET k 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA k 199 " --> pdb=" O GLY k 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR k 152 " --> pdb=" O LEU k 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE k 178 " --> pdb=" O THR k 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR k 154 " --> pdb=" O ILE k 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG k 180 " --> pdb=" O THR k 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY k 100 " --> pdb=" O ILE k 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN k 155 " --> pdb=" O GLY k 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA k 102 " --> pdb=" O ASN k 155 " (cutoff:3.500A) Processing sheet with id=140, first strand: chain 'k' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU k 191 " --> pdb=" O VAL k 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL k 187 " --> pdb=" O GLU k 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL k 193 " --> pdb=" O PRO k 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA k 195 " --> pdb=" O GLU k 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU k 183 " --> pdb=" O ALA k 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET k 197 " --> pdb=" O ILE k 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE k 181 " --> pdb=" O MET k 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA k 199 " --> pdb=" O GLY k 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR k 152 " --> pdb=" O LEU k 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE k 178 " --> pdb=" O THR k 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR k 154 " --> pdb=" O ILE k 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG k 180 " --> pdb=" O THR k 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY k 100 " --> pdb=" O ILE k 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN k 155 " --> pdb=" O GLY k 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA k 102 " --> pdb=" O ASN k 155 " (cutoff:3.500A) Processing sheet with id=141, first strand: chain 'k' and resid 82 through 84 Processing sheet with id=142, first strand: chain 'l' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU l 191 " --> pdb=" O VAL l 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL l 187 " --> pdb=" O GLU l 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL l 193 " --> pdb=" O PRO l 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA l 195 " --> pdb=" O GLU l 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU l 183 " --> pdb=" O ALA l 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET l 197 " --> pdb=" O ILE l 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE l 181 " --> pdb=" O MET l 197 " (cutoff:3.500A) removed outlier: 5.077A pdb=" N ALA l 199 " --> pdb=" O GLY l 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR l 152 " --> pdb=" O LEU l 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE l 178 " --> pdb=" O THR l 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR l 154 " --> pdb=" O ILE l 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG l 180 " --> pdb=" O THR l 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY l 100 " --> pdb=" O ILE l 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN l 155 " --> pdb=" O GLY l 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA l 102 " --> pdb=" O ASN l 155 " (cutoff:3.500A) Processing sheet with id=143, first strand: chain 'l' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU l 191 " --> pdb=" O VAL l 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL l 187 " --> pdb=" O GLU l 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL l 193 " --> pdb=" O PRO l 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA l 195 " --> pdb=" O GLU l 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU l 183 " --> pdb=" O ALA l 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET l 197 " --> pdb=" O ILE l 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE l 181 " --> pdb=" O MET l 197 " (cutoff:3.500A) removed outlier: 5.077A pdb=" N ALA l 199 " --> pdb=" O GLY l 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR l 152 " --> pdb=" O LEU l 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE l 178 " --> pdb=" O THR l 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR l 154 " --> pdb=" O ILE l 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG l 180 " --> pdb=" O THR l 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY l 100 " --> pdb=" O ILE l 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN l 155 " --> pdb=" O GLY l 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA l 102 " --> pdb=" O ASN l 155 " (cutoff:3.500A) Processing sheet with id=144, first strand: chain 'l' and resid 82 through 84 Processing sheet with id=145, first strand: chain 'm' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU m 191 " --> pdb=" O VAL m 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL m 187 " --> pdb=" O GLU m 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL m 193 " --> pdb=" O PRO m 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA m 195 " --> pdb=" O GLU m 183 " (cutoff:3.500A) removed outlier: 4.367A pdb=" N GLU m 183 " --> pdb=" O ALA m 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET m 197 " --> pdb=" O ILE m 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE m 181 " --> pdb=" O MET m 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA m 199 " --> pdb=" O GLY m 179 " (cutoff:3.500A) removed outlier: 6.793A pdb=" N THR m 152 " --> pdb=" O LEU m 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE m 178 " --> pdb=" O THR m 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR m 154 " --> pdb=" O ILE m 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG m 180 " --> pdb=" O THR m 154 " (cutoff:3.500A) removed outlier: 6.400A pdb=" N GLY m 100 " --> pdb=" O ILE m 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN m 155 " --> pdb=" O GLY m 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA m 102 " --> pdb=" O ASN m 155 " (cutoff:3.500A) Processing sheet with id=146, first strand: chain 'm' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU m 191 " --> pdb=" O VAL m 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL m 187 " --> pdb=" O GLU m 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL m 193 " --> pdb=" O PRO m 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA m 195 " --> pdb=" O GLU m 183 " (cutoff:3.500A) removed outlier: 4.367A pdb=" N GLU m 183 " --> pdb=" O ALA m 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET m 197 " --> pdb=" O ILE m 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE m 181 " --> pdb=" O MET m 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA m 199 " --> pdb=" O GLY m 179 " (cutoff:3.500A) removed outlier: 6.793A pdb=" N THR m 152 " --> pdb=" O LEU m 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE m 178 " --> pdb=" O THR m 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR m 154 " --> pdb=" O ILE m 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG m 180 " --> pdb=" O THR m 154 " (cutoff:3.500A) removed outlier: 6.400A pdb=" N GLY m 100 " --> pdb=" O ILE m 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN m 155 " --> pdb=" O GLY m 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA m 102 " --> pdb=" O ASN m 155 " (cutoff:3.500A) Processing sheet with id=147, first strand: chain 'm' and resid 82 through 84 Processing sheet with id=148, first strand: chain 'n' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU n 191 " --> pdb=" O VAL n 187 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VAL n 187 " --> pdb=" O GLU n 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL n 193 " --> pdb=" O PRO n 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA n 195 " --> pdb=" O GLU n 183 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N GLU n 183 " --> pdb=" O ALA n 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET n 197 " --> pdb=" O ILE n 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE n 181 " --> pdb=" O MET n 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA n 199 " --> pdb=" O GLY n 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR n 152 " --> pdb=" O LEU n 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE n 178 " --> pdb=" O THR n 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR n 154 " --> pdb=" O ILE n 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG n 180 " --> pdb=" O THR n 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY n 100 " --> pdb=" O ILE n 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN n 155 " --> pdb=" O GLY n 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA n 102 " --> pdb=" O ASN n 155 " (cutoff:3.500A) Processing sheet with id=149, first strand: chain 'n' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU n 191 " --> pdb=" O VAL n 187 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VAL n 187 " --> pdb=" O GLU n 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL n 193 " --> pdb=" O PRO n 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA n 195 " --> pdb=" O GLU n 183 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N GLU n 183 " --> pdb=" O ALA n 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET n 197 " --> pdb=" O ILE n 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE n 181 " --> pdb=" O MET n 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA n 199 " --> pdb=" O GLY n 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR n 152 " --> pdb=" O LEU n 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE n 178 " --> pdb=" O THR n 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR n 154 " --> pdb=" O ILE n 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG n 180 " --> pdb=" O THR n 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY n 100 " --> pdb=" O ILE n 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN n 155 " --> pdb=" O GLY n 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA n 102 " --> pdb=" O ASN n 155 " (cutoff:3.500A) Processing sheet with id=150, first strand: chain 'n' and resid 82 through 84 Processing sheet with id=151, first strand: chain 'o' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU o 191 " --> pdb=" O VAL o 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL o 187 " --> pdb=" O GLU o 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL o 193 " --> pdb=" O PRO o 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA o 195 " --> pdb=" O GLU o 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU o 183 " --> pdb=" O ALA o 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET o 197 " --> pdb=" O ILE o 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE o 181 " --> pdb=" O MET o 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA o 199 " --> pdb=" O GLY o 179 " (cutoff:3.500A) removed outlier: 6.793A pdb=" N THR o 152 " --> pdb=" O LEU o 176 " (cutoff:3.500A) removed outlier: 7.846A pdb=" N ILE o 178 " --> pdb=" O THR o 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR o 154 " --> pdb=" O ILE o 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG o 180 " --> pdb=" O THR o 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY o 100 " --> pdb=" O ILE o 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN o 155 " --> pdb=" O GLY o 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA o 102 " --> pdb=" O ASN o 155 " (cutoff:3.500A) Processing sheet with id=152, first strand: chain 'o' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU o 191 " --> pdb=" O VAL o 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL o 187 " --> pdb=" O GLU o 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL o 193 " --> pdb=" O PRO o 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA o 195 " --> pdb=" O GLU o 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU o 183 " --> pdb=" O ALA o 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET o 197 " --> pdb=" O ILE o 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE o 181 " --> pdb=" O MET o 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA o 199 " --> pdb=" O GLY o 179 " (cutoff:3.500A) removed outlier: 6.793A pdb=" N THR o 152 " --> pdb=" O LEU o 176 " (cutoff:3.500A) removed outlier: 7.846A pdb=" N ILE o 178 " --> pdb=" O THR o 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR o 154 " --> pdb=" O ILE o 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG o 180 " --> pdb=" O THR o 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY o 100 " --> pdb=" O ILE o 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN o 155 " --> pdb=" O GLY o 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA o 102 " --> pdb=" O ASN o 155 " (cutoff:3.500A) Processing sheet with id=153, first strand: chain 'o' and resid 82 through 84 Processing sheet with id=154, first strand: chain 'p' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU p 191 " --> pdb=" O VAL p 187 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VAL p 187 " --> pdb=" O GLU p 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL p 193 " --> pdb=" O PRO p 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA p 195 " --> pdb=" O GLU p 183 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N GLU p 183 " --> pdb=" O ALA p 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET p 197 " --> pdb=" O ILE p 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE p 181 " --> pdb=" O MET p 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA p 199 " --> pdb=" O GLY p 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR p 152 " --> pdb=" O LEU p 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE p 178 " --> pdb=" O THR p 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR p 154 " --> pdb=" O ILE p 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG p 180 " --> pdb=" O THR p 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY p 100 " --> pdb=" O ILE p 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN p 155 " --> pdb=" O GLY p 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA p 102 " --> pdb=" O ASN p 155 " (cutoff:3.500A) Processing sheet with id=155, first strand: chain 'p' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU p 191 " --> pdb=" O VAL p 187 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VAL p 187 " --> pdb=" O GLU p 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL p 193 " --> pdb=" O PRO p 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA p 195 " --> pdb=" O GLU p 183 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N GLU p 183 " --> pdb=" O ALA p 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET p 197 " --> pdb=" O ILE p 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE p 181 " --> pdb=" O MET p 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA p 199 " --> pdb=" O GLY p 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR p 152 " --> pdb=" O LEU p 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE p 178 " --> pdb=" O THR p 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR p 154 " --> pdb=" O ILE p 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG p 180 " --> pdb=" O THR p 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY p 100 " --> pdb=" O ILE p 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN p 155 " --> pdb=" O GLY p 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA p 102 " --> pdb=" O ASN p 155 " (cutoff:3.500A) Processing sheet with id=156, first strand: chain 'p' and resid 82 through 84 Processing sheet with id=157, first strand: chain 'q' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU q 191 " --> pdb=" O VAL q 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL q 187 " --> pdb=" O GLU q 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL q 193 " --> pdb=" O PRO q 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA q 195 " --> pdb=" O GLU q 183 " (cutoff:3.500A) removed outlier: 4.367A pdb=" N GLU q 183 " --> pdb=" O ALA q 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET q 197 " --> pdb=" O ILE q 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE q 181 " --> pdb=" O MET q 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA q 199 " --> pdb=" O GLY q 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR q 152 " --> pdb=" O LEU q 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE q 178 " --> pdb=" O THR q 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR q 154 " --> pdb=" O ILE q 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG q 180 " --> pdb=" O THR q 154 " (cutoff:3.500A) removed outlier: 6.400A pdb=" N GLY q 100 " --> pdb=" O ILE q 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN q 155 " --> pdb=" O GLY q 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA q 102 " --> pdb=" O ASN q 155 " (cutoff:3.500A) Processing sheet with id=158, first strand: chain 'q' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU q 191 " --> pdb=" O VAL q 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL q 187 " --> pdb=" O GLU q 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL q 193 " --> pdb=" O PRO q 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA q 195 " --> pdb=" O GLU q 183 " (cutoff:3.500A) removed outlier: 4.367A pdb=" N GLU q 183 " --> pdb=" O ALA q 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET q 197 " --> pdb=" O ILE q 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE q 181 " --> pdb=" O MET q 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA q 199 " --> pdb=" O GLY q 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR q 152 " --> pdb=" O LEU q 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE q 178 " --> pdb=" O THR q 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR q 154 " --> pdb=" O ILE q 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG q 180 " --> pdb=" O THR q 154 " (cutoff:3.500A) removed outlier: 6.400A pdb=" N GLY q 100 " --> pdb=" O ILE q 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN q 155 " --> pdb=" O GLY q 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA q 102 " --> pdb=" O ASN q 155 " (cutoff:3.500A) Processing sheet with id=159, first strand: chain 'q' and resid 82 through 84 Processing sheet with id=160, first strand: chain 'r' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU r 191 " --> pdb=" O VAL r 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL r 187 " --> pdb=" O GLU r 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL r 193 " --> pdb=" O PRO r 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA r 195 " --> pdb=" O GLU r 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU r 183 " --> pdb=" O ALA r 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET r 197 " --> pdb=" O ILE r 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE r 181 " --> pdb=" O MET r 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA r 199 " --> pdb=" O GLY r 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR r 152 " --> pdb=" O LEU r 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE r 178 " --> pdb=" O THR r 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR r 154 " --> pdb=" O ILE r 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG r 180 " --> pdb=" O THR r 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY r 100 " --> pdb=" O ILE r 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN r 155 " --> pdb=" O GLY r 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA r 102 " --> pdb=" O ASN r 155 " (cutoff:3.500A) Processing sheet with id=161, first strand: chain 'r' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU r 191 " --> pdb=" O VAL r 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL r 187 " --> pdb=" O GLU r 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL r 193 " --> pdb=" O PRO r 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA r 195 " --> pdb=" O GLU r 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU r 183 " --> pdb=" O ALA r 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET r 197 " --> pdb=" O ILE r 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE r 181 " --> pdb=" O MET r 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA r 199 " --> pdb=" O GLY r 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR r 152 " --> pdb=" O LEU r 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE r 178 " --> pdb=" O THR r 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR r 154 " --> pdb=" O ILE r 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG r 180 " --> pdb=" O THR r 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY r 100 " --> pdb=" O ILE r 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN r 155 " --> pdb=" O GLY r 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA r 102 " --> pdb=" O ASN r 155 " (cutoff:3.500A) Processing sheet with id=162, first strand: chain 'r' and resid 82 through 84 Processing sheet with id=163, first strand: chain 's' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU s 191 " --> pdb=" O VAL s 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL s 187 " --> pdb=" O GLU s 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL s 193 " --> pdb=" O PRO s 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA s 195 " --> pdb=" O GLU s 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU s 183 " --> pdb=" O ALA s 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET s 197 " --> pdb=" O ILE s 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE s 181 " --> pdb=" O MET s 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA s 199 " --> pdb=" O GLY s 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR s 152 " --> pdb=" O LEU s 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE s 178 " --> pdb=" O THR s 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR s 154 " --> pdb=" O ILE s 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG s 180 " --> pdb=" O THR s 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY s 100 " --> pdb=" O ILE s 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN s 155 " --> pdb=" O GLY s 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA s 102 " --> pdb=" O ASN s 155 " (cutoff:3.500A) Processing sheet with id=164, first strand: chain 's' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU s 191 " --> pdb=" O VAL s 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL s 187 " --> pdb=" O GLU s 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL s 193 " --> pdb=" O PRO s 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA s 195 " --> pdb=" O GLU s 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU s 183 " --> pdb=" O ALA s 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET s 197 " --> pdb=" O ILE s 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE s 181 " --> pdb=" O MET s 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA s 199 " --> pdb=" O GLY s 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR s 152 " --> pdb=" O LEU s 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE s 178 " --> pdb=" O THR s 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR s 154 " --> pdb=" O ILE s 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG s 180 " --> pdb=" O THR s 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY s 100 " --> pdb=" O ILE s 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN s 155 " --> pdb=" O GLY s 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA s 102 " --> pdb=" O ASN s 155 " (cutoff:3.500A) Processing sheet with id=165, first strand: chain 's' and resid 82 through 84 Processing sheet with id=166, first strand: chain 't' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU t 191 " --> pdb=" O VAL t 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL t 187 " --> pdb=" O GLU t 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL t 193 " --> pdb=" O PRO t 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA t 195 " --> pdb=" O GLU t 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU t 183 " --> pdb=" O ALA t 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET t 197 " --> pdb=" O ILE t 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE t 181 " --> pdb=" O MET t 197 " (cutoff:3.500A) removed outlier: 5.077A pdb=" N ALA t 199 " --> pdb=" O GLY t 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR t 152 " --> pdb=" O LEU t 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE t 178 " --> pdb=" O THR t 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR t 154 " --> pdb=" O ILE t 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG t 180 " --> pdb=" O THR t 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY t 100 " --> pdb=" O ILE t 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN t 155 " --> pdb=" O GLY t 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA t 102 " --> pdb=" O ASN t 155 " (cutoff:3.500A) Processing sheet with id=167, first strand: chain 't' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU t 191 " --> pdb=" O VAL t 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL t 187 " --> pdb=" O GLU t 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL t 193 " --> pdb=" O PRO t 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA t 195 " --> pdb=" O GLU t 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU t 183 " --> pdb=" O ALA t 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET t 197 " --> pdb=" O ILE t 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE t 181 " --> pdb=" O MET t 197 " (cutoff:3.500A) removed outlier: 5.077A pdb=" N ALA t 199 " --> pdb=" O GLY t 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR t 152 " --> pdb=" O LEU t 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE t 178 " --> pdb=" O THR t 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR t 154 " --> pdb=" O ILE t 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG t 180 " --> pdb=" O THR t 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY t 100 " --> pdb=" O ILE t 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN t 155 " --> pdb=" O GLY t 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA t 102 " --> pdb=" O ASN t 155 " (cutoff:3.500A) Processing sheet with id=168, first strand: chain 't' and resid 82 through 84 Processing sheet with id=169, first strand: chain 'u' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU u 191 " --> pdb=" O VAL u 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL u 187 " --> pdb=" O GLU u 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL u 193 " --> pdb=" O PRO u 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA u 195 " --> pdb=" O GLU u 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU u 183 " --> pdb=" O ALA u 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET u 197 " --> pdb=" O ILE u 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE u 181 " --> pdb=" O MET u 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA u 199 " --> pdb=" O GLY u 179 " (cutoff:3.500A) removed outlier: 6.793A pdb=" N THR u 152 " --> pdb=" O LEU u 176 " (cutoff:3.500A) removed outlier: 7.846A pdb=" N ILE u 178 " --> pdb=" O THR u 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR u 154 " --> pdb=" O ILE u 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG u 180 " --> pdb=" O THR u 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY u 100 " --> pdb=" O ILE u 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN u 155 " --> pdb=" O GLY u 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA u 102 " --> pdb=" O ASN u 155 " (cutoff:3.500A) Processing sheet with id=170, first strand: chain 'u' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU u 191 " --> pdb=" O VAL u 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL u 187 " --> pdb=" O GLU u 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL u 193 " --> pdb=" O PRO u 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA u 195 " --> pdb=" O GLU u 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU u 183 " --> pdb=" O ALA u 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET u 197 " --> pdb=" O ILE u 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE u 181 " --> pdb=" O MET u 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA u 199 " --> pdb=" O GLY u 179 " (cutoff:3.500A) removed outlier: 6.793A pdb=" N THR u 152 " --> pdb=" O LEU u 176 " (cutoff:3.500A) removed outlier: 7.846A pdb=" N ILE u 178 " --> pdb=" O THR u 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR u 154 " --> pdb=" O ILE u 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG u 180 " --> pdb=" O THR u 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY u 100 " --> pdb=" O ILE u 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN u 155 " --> pdb=" O GLY u 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA u 102 " --> pdb=" O ASN u 155 " (cutoff:3.500A) Processing sheet with id=171, first strand: chain 'u' and resid 82 through 84 Processing sheet with id=172, first strand: chain 'v' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU v 191 " --> pdb=" O VAL v 187 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VAL v 187 " --> pdb=" O GLU v 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL v 193 " --> pdb=" O PRO v 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA v 195 " --> pdb=" O GLU v 183 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N GLU v 183 " --> pdb=" O ALA v 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET v 197 " --> pdb=" O ILE v 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE v 181 " --> pdb=" O MET v 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA v 199 " --> pdb=" O GLY v 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR v 152 " --> pdb=" O LEU v 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE v 178 " --> pdb=" O THR v 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR v 154 " --> pdb=" O ILE v 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG v 180 " --> pdb=" O THR v 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY v 100 " --> pdb=" O ILE v 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN v 155 " --> pdb=" O GLY v 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA v 102 " --> pdb=" O ASN v 155 " (cutoff:3.500A) Processing sheet with id=173, first strand: chain 'v' and resid 30 through 38 removed outlier: 6.509A pdb=" N GLU v 191 " --> pdb=" O VAL v 187 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VAL v 187 " --> pdb=" O GLU v 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL v 193 " --> pdb=" O PRO v 185 " (cutoff:3.500A) removed outlier: 5.991A pdb=" N ALA v 195 " --> pdb=" O GLU v 183 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N GLU v 183 " --> pdb=" O ALA v 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET v 197 " --> pdb=" O ILE v 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE v 181 " --> pdb=" O MET v 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA v 199 " --> pdb=" O GLY v 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR v 152 " --> pdb=" O LEU v 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE v 178 " --> pdb=" O THR v 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR v 154 " --> pdb=" O ILE v 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG v 180 " --> pdb=" O THR v 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY v 100 " --> pdb=" O ILE v 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN v 155 " --> pdb=" O GLY v 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA v 102 " --> pdb=" O ASN v 155 " (cutoff:3.500A) Processing sheet with id=174, first strand: chain 'v' and resid 82 through 84 Processing sheet with id=175, first strand: chain 'w' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU w 191 " --> pdb=" O VAL w 187 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VAL w 187 " --> pdb=" O GLU w 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL w 193 " --> pdb=" O PRO w 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA w 195 " --> pdb=" O GLU w 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU w 183 " --> pdb=" O ALA w 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET w 197 " --> pdb=" O ILE w 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE w 181 " --> pdb=" O MET w 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA w 199 " --> pdb=" O GLY w 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR w 152 " --> pdb=" O LEU w 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE w 178 " --> pdb=" O THR w 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR w 154 " --> pdb=" O ILE w 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG w 180 " --> pdb=" O THR w 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY w 100 " --> pdb=" O ILE w 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN w 155 " --> pdb=" O GLY w 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA w 102 " --> pdb=" O ASN w 155 " (cutoff:3.500A) Processing sheet with id=176, first strand: chain 'w' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU w 191 " --> pdb=" O VAL w 187 " (cutoff:3.500A) removed outlier: 4.525A pdb=" N VAL w 187 " --> pdb=" O GLU w 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL w 193 " --> pdb=" O PRO w 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA w 195 " --> pdb=" O GLU w 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU w 183 " --> pdb=" O ALA w 195 " (cutoff:3.500A) removed outlier: 6.068A pdb=" N MET w 197 " --> pdb=" O ILE w 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE w 181 " --> pdb=" O MET w 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA w 199 " --> pdb=" O GLY w 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR w 152 " --> pdb=" O LEU w 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE w 178 " --> pdb=" O THR w 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR w 154 " --> pdb=" O ILE w 178 " (cutoff:3.500A) removed outlier: 8.468A pdb=" N ARG w 180 " --> pdb=" O THR w 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY w 100 " --> pdb=" O ILE w 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN w 155 " --> pdb=" O GLY w 100 " (cutoff:3.500A) removed outlier: 7.146A pdb=" N ALA w 102 " --> pdb=" O ASN w 155 " (cutoff:3.500A) Processing sheet with id=177, first strand: chain 'w' and resid 82 through 84 Processing sheet with id=178, first strand: chain 'x' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU x 191 " --> pdb=" O VAL x 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL x 187 " --> pdb=" O GLU x 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL x 193 " --> pdb=" O PRO x 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA x 195 " --> pdb=" O GLU x 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU x 183 " --> pdb=" O ALA x 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET x 197 " --> pdb=" O ILE x 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE x 181 " --> pdb=" O MET x 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA x 199 " --> pdb=" O GLY x 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR x 152 " --> pdb=" O LEU x 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE x 178 " --> pdb=" O THR x 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR x 154 " --> pdb=" O ILE x 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG x 180 " --> pdb=" O THR x 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY x 100 " --> pdb=" O ILE x 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN x 155 " --> pdb=" O GLY x 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA x 102 " --> pdb=" O ASN x 155 " (cutoff:3.500A) Processing sheet with id=179, first strand: chain 'x' and resid 30 through 38 removed outlier: 6.508A pdb=" N GLU x 191 " --> pdb=" O VAL x 187 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N VAL x 187 " --> pdb=" O GLU x 191 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N VAL x 193 " --> pdb=" O PRO x 185 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ALA x 195 " --> pdb=" O GLU x 183 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU x 183 " --> pdb=" O ALA x 195 " (cutoff:3.500A) removed outlier: 6.069A pdb=" N MET x 197 " --> pdb=" O ILE x 181 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N ILE x 181 " --> pdb=" O MET x 197 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ALA x 199 " --> pdb=" O GLY x 179 " (cutoff:3.500A) removed outlier: 6.792A pdb=" N THR x 152 " --> pdb=" O LEU x 176 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N ILE x 178 " --> pdb=" O THR x 152 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR x 154 " --> pdb=" O ILE x 178 " (cutoff:3.500A) removed outlier: 8.469A pdb=" N ARG x 180 " --> pdb=" O THR x 154 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N GLY x 100 " --> pdb=" O ILE x 153 " (cutoff:3.500A) removed outlier: 7.664A pdb=" N ASN x 155 " --> pdb=" O GLY x 100 " (cutoff:3.500A) removed outlier: 7.145A pdb=" N ALA x 102 " --> pdb=" O ASN x 155 " (cutoff:3.500A) Processing sheet with id=180, first strand: chain 'x' and resid 82 through 84 6060 hydrogen bonds defined for protein. 16920 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: 70.23 Time building geometry restraints manager: 32.84 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.19 - 1.31: 20284 1.31 - 1.43: 23763 1.43 - 1.55: 64157 1.55 - 1.67: 516 1.67 - 1.80: 900 Bond restraints: 109620 Sorted by residual: bond pdb=" CB HIS w 220 " pdb=" CG HIS w 220 " ideal model delta sigma weight residual 1.497 1.422 0.075 1.40e-02 5.10e+03 2.88e+01 bond pdb=" CB HIS Z 220 " pdb=" CG HIS Z 220 " ideal model delta sigma weight residual 1.497 1.422 0.075 1.40e-02 5.10e+03 2.88e+01 bond pdb=" CB HIS Y 220 " pdb=" CG HIS Y 220 " ideal model delta sigma weight residual 1.497 1.422 0.075 1.40e-02 5.10e+03 2.88e+01 bond pdb=" CB HIS M 220 " pdb=" CG HIS M 220 " ideal model delta sigma weight residual 1.497 1.422 0.075 1.40e-02 5.10e+03 2.88e+01 bond pdb=" CB HIS S 220 " pdb=" CG HIS S 220 " ideal model delta sigma weight residual 1.497 1.422 0.075 1.40e-02 5.10e+03 2.88e+01 ... (remaining 109615 not shown) Histogram of bond angle deviations from ideal: 97.47 - 104.66: 2478 104.66 - 111.85: 50460 111.85 - 119.04: 42143 119.04 - 126.23: 52099 126.23 - 133.42: 960 Bond angle restraints: 148140 Sorted by residual: angle pdb=" N ILE u 156 " pdb=" CA ILE u 156 " pdb=" C ILE u 156 " ideal model delta sigma weight residual 113.53 102.86 10.67 9.80e-01 1.04e+00 1.18e+02 angle pdb=" N ILE W 156 " pdb=" CA ILE W 156 " pdb=" C ILE W 156 " ideal model delta sigma weight residual 113.53 102.86 10.67 9.80e-01 1.04e+00 1.18e+02 angle pdb=" N ILE 2 156 " pdb=" CA ILE 2 156 " pdb=" C ILE 2 156 " ideal model delta sigma weight residual 113.53 102.86 10.67 9.80e-01 1.04e+00 1.18e+02 angle pdb=" N ILE Q 156 " pdb=" CA ILE Q 156 " pdb=" C ILE Q 156 " ideal model delta sigma weight residual 113.53 102.86 10.67 9.80e-01 1.04e+00 1.18e+02 angle pdb=" N ILE m 156 " pdb=" CA ILE m 156 " pdb=" C ILE m 156 " ideal model delta sigma weight residual 113.53 102.86 10.67 9.80e-01 1.04e+00 1.18e+02 ... (remaining 148135 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 15.38: 65340 15.38 - 30.75: 1740 30.75 - 46.13: 180 46.13 - 61.51: 240 61.51 - 76.88: 240 Dihedral angle restraints: 67740 sinusoidal: 27420 harmonic: 40320 Sorted by residual: dihedral pdb=" N HIS J 170 " pdb=" C HIS J 170 " pdb=" CA HIS J 170 " pdb=" CB HIS J 170 " ideal model delta harmonic sigma weight residual 122.80 130.39 -7.59 0 2.50e+00 1.60e-01 9.21e+00 dihedral pdb=" N HIS b 170 " pdb=" C HIS b 170 " pdb=" CA HIS b 170 " pdb=" CB HIS b 170 " ideal model delta harmonic sigma weight residual 122.80 130.39 -7.59 0 2.50e+00 1.60e-01 9.21e+00 dihedral pdb=" N HIS p 170 " pdb=" C HIS p 170 " pdb=" CA HIS p 170 " pdb=" CB HIS p 170 " ideal model delta harmonic sigma weight residual 122.80 130.39 -7.59 0 2.50e+00 1.60e-01 9.21e+00 ... (remaining 67737 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.080: 11780 0.080 - 0.161: 4720 0.161 - 0.241: 708 0.241 - 0.322: 72 0.322 - 0.402: 60 Chirality restraints: 17340 Sorted by residual: chirality pdb=" CA HIS 4 170 " pdb=" N HIS 4 170 " pdb=" C HIS 4 170 " pdb=" CB HIS 4 170 " both_signs ideal model delta sigma weight residual False 2.51 2.11 0.40 2.00e-01 2.50e+01 4.04e+00 chirality pdb=" CA HIS W 170 " pdb=" N HIS W 170 " pdb=" C HIS W 170 " pdb=" CB HIS W 170 " both_signs ideal model delta sigma weight residual False 2.51 2.11 0.40 2.00e-01 2.50e+01 4.04e+00 chirality pdb=" CA HIS u 170 " pdb=" N HIS u 170 " pdb=" C HIS u 170 " pdb=" CB HIS u 170 " both_signs ideal model delta sigma weight residual False 2.51 2.11 0.40 2.00e-01 2.50e+01 4.04e+00 ... (remaining 17337 not shown) Planarity restraints: 18900 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CB TYR s 65 " -0.055 2.00e-02 2.50e+03 2.94e-02 1.73e+01 pdb=" CG TYR s 65 " 0.023 2.00e-02 2.50e+03 pdb=" CD1 TYR s 65 " 0.020 2.00e-02 2.50e+03 pdb=" CD2 TYR s 65 " 0.023 2.00e-02 2.50e+03 pdb=" CE1 TYR s 65 " 0.016 2.00e-02 2.50e+03 pdb=" CE2 TYR s 65 " 0.012 2.00e-02 2.50e+03 pdb=" CZ TYR s 65 " 0.006 2.00e-02 2.50e+03 pdb=" OH TYR s 65 " -0.045 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CB TYR f 65 " -0.055 2.00e-02 2.50e+03 2.94e-02 1.73e+01 pdb=" CG TYR f 65 " 0.023 2.00e-02 2.50e+03 pdb=" CD1 TYR f 65 " 0.020 2.00e-02 2.50e+03 pdb=" CD2 TYR f 65 " 0.023 2.00e-02 2.50e+03 pdb=" CE1 TYR f 65 " 0.016 2.00e-02 2.50e+03 pdb=" CE2 TYR f 65 " 0.012 2.00e-02 2.50e+03 pdb=" CZ TYR f 65 " 0.006 2.00e-02 2.50e+03 pdb=" OH TYR f 65 " -0.045 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CB TYR B 65 " -0.055 2.00e-02 2.50e+03 2.94e-02 1.73e+01 pdb=" CG TYR B 65 " 0.023 2.00e-02 2.50e+03 pdb=" CD1 TYR B 65 " 0.020 2.00e-02 2.50e+03 pdb=" CD2 TYR B 65 " 0.023 2.00e-02 2.50e+03 pdb=" CE1 TYR B 65 " 0.016 2.00e-02 2.50e+03 pdb=" CE2 TYR B 65 " 0.012 2.00e-02 2.50e+03 pdb=" CZ TYR B 65 " 0.006 2.00e-02 2.50e+03 pdb=" OH TYR B 65 " -0.045 2.00e-02 2.50e+03 ... (remaining 18897 not shown) Histogram of nonbonded interaction distances: 2.39 - 2.89: 42000 2.89 - 3.39: 102492 3.39 - 3.90: 184396 3.90 - 4.40: 206844 4.40 - 4.90: 342535 Nonbonded interactions: 878267 Sorted by model distance: nonbonded pdb=" N ILE I 156 " pdb=" N GLY I 157 " model vdw 2.390 2.560 nonbonded pdb=" N ILE K 156 " pdb=" N GLY K 157 " model vdw 2.390 2.560 nonbonded pdb=" N ILE C 156 " pdb=" N GLY C 157 " model vdw 2.390 2.560 nonbonded pdb=" N ILE 4 156 " pdb=" N GLY 4 157 " model vdw 2.390 2.560 nonbonded pdb=" N ILE 8 156 " pdb=" N GLY 8 157 " model vdw 2.390 2.560 ... (remaining 878262 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model Found NCS groups: ncs_group { reference = chain '0' selection = chain '1' selection = chain '2' selection = chain '3' selection = chain '4' selection = chain '5' selection = chain '6' selection = chain '7' selection = chain '8' selection = chain '9' selection = chain 'A' selection = chain 'B' selection = chain 'C' selection = chain 'D' selection = chain 'E' selection = chain 'F' selection = chain 'G' selection = chain 'H' selection = chain 'I' selection = chain 'J' selection = chain 'K' selection = chain 'L' selection = chain 'M' selection = chain 'N' selection = chain 'O' selection = chain 'P' selection = chain 'Q' selection = chain 'R' selection = chain 'S' selection = chain 'T' selection = chain 'U' selection = chain 'V' selection = chain 'W' selection = chain 'X' selection = chain 'Y' selection = chain 'Z' selection = chain 'a' selection = chain 'b' selection = chain 'c' selection = chain 'd' selection = chain 'e' selection = chain 'f' selection = chain 'g' selection = chain 'h' selection = chain 'i' selection = chain 'j' selection = chain 'k' selection = chain 'l' selection = chain 'm' selection = chain 'n' selection = chain 'o' selection = chain 'p' selection = chain 'q' selection = chain 'r' selection = chain 's' selection = chain 't' selection = chain 'u' selection = chain 'v' selection = chain 'w' selection = chain 'x' } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as group one per residue Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 6.570 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.010 Construct map_model_manager: 0.060 Extract box with map and model: 30.500 Check model and map are aligned: 1.120 Set scattering table: 0.700 Process input model: 242.090 Find NCS groups from input model: 5.830 Set up NCS constraints: 1.420 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.020 Load rotamer database and sin/cos tables:2.420 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 290.740 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8443 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 : 0.019 0.083 109620 Z= 1.286 Angle : 1.626 10.853 148140 Z= 1.125 Chirality : 0.086 0.402 17340 Planarity : 0.008 0.029 18900 Dihedral : 10.325 76.884 41580 Min Nonbonded Distance : 2.390 Molprobity Statistics. All-atom Clashscore : 0.43 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.30 % Favored : 98.70 % Rotamer: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.44 (0.07), residues: 13860 helix: 0.76 (0.06), residues: 5220 sheet: 1.96 (0.08), residues: 3240 loop : 0.70 (0.09), residues: 5400 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.008 0.003 TRP l 163 HIS 0.010 0.002 HIS C 220 PHE 0.018 0.003 PHE h 164 TYR 0.055 0.016 TYR f 65 ARG 0.004 0.001 ARG R 46 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 27720 Ramachandran restraints generated. 13860 Oldfield, 0 Emsley, 13860 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 27720 Ramachandran restraints generated. 13860 Oldfield, 0 Emsley, 13860 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3900 residues out of total 11400 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 3900 time to evaluate : 8.993 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: 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: 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: 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: 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: 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 outliers start: 0 outliers final: 0 residues processed: 3900 average time/residue: 0.9432 time to fit residues: 6194.7960 Evaluate side-chains 1752 residues out of total 11400 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 1752 time to evaluate : 8.281 Switching outliers to nearest non-outliers outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 10.9086 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1380 random chunks: chunk 1165 optimal weight: 1.9990 chunk 1045 optimal weight: 0.7980 chunk 580 optimal weight: 2.9990 chunk 357 optimal weight: 4.9990 chunk 705 optimal weight: 0.8980 chunk 558 optimal weight: 1.9990 chunk 1081 optimal weight: 3.9990 chunk 418 optimal weight: 0.7980 chunk 657 optimal weight: 0.9990 chunk 805 optimal weight: 2.9990 chunk 1253 optimal weight: 0.9990 overall best weight: 0.8984 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 162 GLN C 23 HIS C 45 HIS D 162 GLN D 206 HIS E 26 HIS F 26 HIS G 162 GLN ** I 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** I 45 HIS J 162 GLN J 206 HIS ** K 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** K 45 HIS L 162 GLN L 206 HIS M 26 HIS N 162 GLN P 206 HIS Q 23 HIS Q 45 HIS R 162 GLN R 206 HIS S 26 HIS T 162 GLN U 162 GLN ** W 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** W 45 HIS X 162 GLN Y 26 HIS Z 26 HIS 0 162 GLN 1 206 HIS ** 2 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 2 45 HIS ** 3 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 3 162 GLN 3 206 HIS 4 23 HIS 4 45 HIS ** 5 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 5 162 GLN 5 206 HIS 6 26 HIS 7 162 GLN 9 206 HIS ** a 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** a 45 HIS b 162 GLN c 26 HIS d 162 GLN e 162 GLN f 206 HIS g 23 HIS g 45 HIS h 162 GLN i 26 HIS j 26 HIS j 45 HIS k 162 GLN l 206 HIS m 23 HIS m 45 HIS n 162 GLN o 23 HIS o 45 HIS p 162 GLN q 26 HIS q 45 HIS r 162 GLN s 206 HIS t 206 HIS u 23 HIS u 45 HIS v 162 GLN w 26 HIS x 162 GLN Total number of N/Q/H flips: 70 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8497 moved from start: 0.3366 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.030 109620 Z= 0.227 Angle : 0.670 7.352 148140 Z= 0.352 Chirality : 0.049 0.169 17340 Planarity : 0.005 0.032 18900 Dihedral : 4.952 20.896 14880 Min Nonbonded Distance : 2.218 Molprobity Statistics. All-atom Clashscore : 6.61 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.47 % Favored : 98.53 % Rotamer: Outliers : 2.84 % Allowed : 10.45 % Favored : 86.71 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 2.38 (0.07), residues: 13860 helix: 2.24 (0.07), residues: 5220 sheet: 2.07 (0.09), residues: 3300 loop : 0.67 (0.09), residues: 5340 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.001 TRP q 163 HIS 0.010 0.002 HIS S 26 PHE 0.021 0.003 PHE j 204 TYR 0.011 0.002 TYR 2 65 ARG 0.004 0.000 ARG w 75 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 27720 Ramachandran restraints generated. 13860 Oldfield, 0 Emsley, 13860 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 27720 Ramachandran restraints generated. 13860 Oldfield, 0 Emsley, 13860 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2622 residues out of total 11400 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 324 poor density : 2298 time to evaluate : 8.130 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: 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: 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: 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: 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: 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: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 324 outliers final: 216 residues processed: 2514 average time/residue: 0.9976 time to fit residues: 4249.3732 Evaluate side-chains 1882 residues out of total 11400 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 216 poor density : 1666 time to evaluate : 8.731 Switching outliers to nearest non-outliers outliers start: 216 outliers final: 0 residues processed: 216 average time/residue: 0.7409 time to fit residues: 318.6608 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1380 random chunks: chunk 696 optimal weight: 1.9990 chunk 388 optimal weight: 5.9990 chunk 1043 optimal weight: 4.9990 chunk 853 optimal weight: 9.9990 chunk 345 optimal weight: 10.0000 chunk 1255 optimal weight: 6.9990 chunk 1356 optimal weight: 4.9990 chunk 1118 optimal weight: 3.9990 chunk 1244 optimal weight: 30.0000 chunk 428 optimal weight: 0.4980 chunk 1007 optimal weight: 0.9990 overall best weight: 2.4988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 45 HIS A 98 ASN A 162 GLN A 206 HIS ** B 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 98 ASN ** C 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 206 HIS ** D 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 45 HIS D 98 ASN D 162 GLN D 206 HIS E 45 HIS E 98 ASN F 45 HIS F 98 ASN G 45 HIS G 98 ASN G 162 GLN G 206 HIS ** H 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 98 ASN I 23 HIS ** I 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 206 HIS ** J 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 45 HIS J 98 ASN J 162 GLN J 206 HIS K 23 HIS ** K 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 45 HIS L 98 ASN L 162 GLN L 206 HIS M 45 HIS M 98 ASN N 45 HIS N 98 ASN N 162 GLN N 206 HIS ** O 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** O 98 ASN ** P 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 98 ASN ** Q 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** R 45 HIS R 98 ASN R 162 GLN R 206 HIS S 45 HIS S 98 ASN T 45 HIS T 98 ASN T 162 GLN T 206 HIS U 45 HIS U 98 ASN U 162 GLN U 206 HIS ** V 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** V 98 ASN W 23 HIS ** W 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 206 HIS ** X 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** X 45 HIS X 98 ASN X 162 GLN Y 45 HIS Y 98 ASN Z 45 HIS Z 98 ASN 0 45 HIS 0 98 ASN 0 162 GLN 0 206 HIS ** 1 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 1 98 ASN 2 23 HIS ** 2 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 206 HIS ** 3 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 3 45 HIS 3 98 ASN 3 162 GLN 3 206 HIS ** 4 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 206 HIS ** 5 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 5 45 HIS 5 98 ASN 5 162 GLN 5 206 HIS 6 45 HIS 6 98 ASN 7 45 HIS 7 98 ASN 7 162 GLN 7 206 HIS ** 8 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 8 98 ASN ** 9 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 9 98 ASN a 23 HIS ** a 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** b 45 HIS b 98 ASN b 162 GLN c 45 HIS c 98 ASN d 45 HIS d 98 ASN d 162 GLN d 206 HIS e 45 HIS e 98 ASN e 162 GLN e 206 HIS ** f 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** f 98 ASN ** g 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 206 HIS ** h 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** h 45 HIS h 98 ASN h 162 GLN i 45 HIS i 98 ASN j 98 ASN k 45 HIS k 98 ASN k 162 GLN k 206 HIS ** l 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** l 98 ASN ** m 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 206 HIS ** n 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** n 45 HIS n 98 ASN n 162 GLN ** o 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** p 45 HIS p 98 ASN p 162 GLN q 98 ASN r 45 HIS r 98 ASN r 162 GLN r 206 HIS ** s 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** s 98 ASN ** t 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** t 98 ASN ** u 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 206 HIS ** v 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** v 45 HIS v 98 ASN v 162 GLN w 45 HIS w 98 ASN x 45 HIS x 98 ASN x 162 GLN x 206 HIS Total number of N/Q/H flips: 137 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8593 moved from start: 0.4081 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.061 109620 Z= 0.356 Angle : 0.652 8.117 148140 Z= 0.334 Chirality : 0.048 0.163 17340 Planarity : 0.005 0.035 18900 Dihedral : 4.870 21.537 14880 Min Nonbonded Distance : 2.181 Molprobity Statistics. All-atom Clashscore : 7.24 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.08 % Favored : 97.92 % Rotamer: Outliers : 1.98 % Allowed : 13.72 % Favored : 84.30 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 2.16 (0.07), residues: 13860 helix: 2.27 (0.07), residues: 5220 sheet: 1.93 (0.09), residues: 3300 loop : 0.30 (0.08), residues: 5340 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.004 0.001 TRP 8 163 HIS 0.008 0.001 HIS U 45 PHE 0.018 0.002 PHE j 204 TYR 0.012 0.001 TYR W 65 ARG 0.009 0.000 ARG c 119 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 27720 Ramachandran restraints generated. 13860 Oldfield, 0 Emsley, 13860 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 27720 Ramachandran restraints generated. 13860 Oldfield, 0 Emsley, 13860 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1998 residues out of total 11400 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 226 poor density : 1772 time to evaluate : 8.982 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: 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: 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: 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 outliers start: 226 outliers final: 100 residues processed: 1974 average time/residue: 0.9351 time to fit residues: 3177.2900 Evaluate side-chains 1702 residues out of total 11400 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 100 poor density : 1602 time to evaluate : 9.097 Switching outliers to nearest non-outliers outliers start: 100 outliers final: 0 residues processed: 100 average time/residue: 0.7484 time to fit residues: 154.8097 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1380 random chunks: chunk 1240 optimal weight: 3.9990 chunk 943 optimal weight: 6.9990 chunk 651 optimal weight: 0.9980 chunk 138 optimal weight: 10.0000 chunk 599 optimal weight: 20.0000 chunk 843 optimal weight: 2.9990 chunk 1259 optimal weight: 2.9990 chunk 1333 optimal weight: 0.9980 chunk 658 optimal weight: 0.6980 chunk 1194 optimal weight: 0.6980 chunk 359 optimal weight: 3.9990 overall best weight: 1.2782 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 206 HIS B 45 HIS C 98 ASN C 206 HIS C 215 GLN ** D 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 206 HIS E 26 HIS E 206 HIS E 215 GLN F 26 HIS F 206 HIS F 215 GLN G 206 HIS H 45 HIS ** H 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 98 ASN I 206 HIS ** J 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 206 HIS K 98 ASN K 215 GLN ** L 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 206 HIS M 26 HIS M 206 HIS N 206 HIS O 45 HIS P 45 HIS Q 98 ASN Q 215 GLN ** R 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** R 206 HIS S 26 HIS S 206 HIS T 206 HIS U 206 HIS V 45 HIS ** V 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 98 ASN W 206 HIS W 215 GLN ** X 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Y 26 HIS Y 206 HIS Y 215 GLN Z 26 HIS Z 206 HIS 0 206 HIS 1 45 HIS 2 98 ASN 2 206 HIS 2 215 GLN ** 3 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 3 206 HIS 4 98 ASN 4 206 HIS 4 215 GLN ** 5 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 5 206 HIS 6 26 HIS 6 206 HIS 7 206 HIS 8 45 HIS 9 45 HIS ** 9 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 98 ASN a 215 GLN ** b 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** c 26 HIS c 206 HIS d 206 HIS e 206 HIS f 45 HIS g 98 ASN g 206 HIS g 215 GLN ** h 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** i 26 HIS i 206 HIS j 26 HIS j 206 HIS j 215 GLN k 206 HIS l 45 HIS m 98 ASN m 206 HIS m 215 GLN ** n 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** o 98 ASN o 215 GLN ** p 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** q 26 HIS q 206 HIS r 206 HIS s 45 HIS t 45 HIS u 98 ASN u 206 HIS u 215 GLN ** v 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** w 26 HIS w 206 HIS x 206 HIS Total number of N/Q/H flips: 89 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8560 moved from start: 0.4448 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.033 109620 Z= 0.203 Angle : 0.565 7.975 148140 Z= 0.287 Chirality : 0.045 0.156 17340 Planarity : 0.004 0.076 18900 Dihedral : 4.736 20.062 14880 Min Nonbonded Distance : 2.244 Molprobity Statistics. All-atom Clashscore : 7.07 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.08 % Favored : 97.92 % Rotamer: Outliers : 1.81 % Allowed : 14.82 % Favored : 83.37 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 2.12 (0.07), residues: 13860 helix: 2.35 (0.07), residues: 5220 sheet: 1.96 (0.09), residues: 3300 loop : 0.12 (0.08), residues: 5340 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.001 TRP t 163 HIS 0.009 0.001 HIS w 26 PHE 0.019 0.002 PHE Z 204 TYR 0.006 0.001 TYR W 65 ARG 0.014 0.000 ARG t 107 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 27720 Ramachandran restraints generated. 13860 Oldfield, 0 Emsley, 13860 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 27720 Ramachandran restraints generated. 13860 Oldfield, 0 Emsley, 13860 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2002 residues out of total 11400 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 206 poor density : 1796 time to evaluate : 9.177 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: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 206 outliers final: 84 residues processed: 1906 average time/residue: 0.9657 time to fit residues: 3152.7365 Evaluate side-chains 1669 residues out of total 11400 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 84 poor density : 1585 time to evaluate : 9.122 Switching outliers to nearest non-outliers outliers start: 84 outliers final: 0 residues processed: 84 average time/residue: 0.7574 time to fit residues: 133.0858 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1380 random chunks: chunk 1110 optimal weight: 1.9990 chunk 757 optimal weight: 0.8980 chunk 19 optimal weight: 10.0000 chunk 993 optimal weight: 0.9990 chunk 550 optimal weight: 0.9980 chunk 1138 optimal weight: 6.9990 chunk 922 optimal weight: 0.0030 chunk 1 optimal weight: 9.9990 chunk 681 optimal weight: 6.9990 chunk 1197 optimal weight: 8.9990 chunk 336 optimal weight: 2.9990 overall best weight: 0.9794 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 30 HIS A 162 GLN A 206 HIS C 206 HIS ** D 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 206 HIS E 26 HIS E 206 HIS F 26 HIS F 206 HIS G 162 GLN G 206 HIS G 215 GLN H 215 GLN I 206 HIS ** J 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 206 HIS K 206 HIS ** L 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 206 HIS M 26 HIS M 206 HIS N 162 GLN N 206 HIS Q 206 HIS ** R 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** R 206 HIS S 26 HIS S 206 HIS T 30 HIS T 162 GLN T 206 HIS ** T 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 162 GLN U 206 HIS W 206 HIS ** X 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Y 26 HIS Y 206 HIS Z 26 HIS Z 206 HIS 0 162 GLN 0 206 HIS 1 215 GLN 2 206 HIS ** 3 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 3 206 HIS 4 206 HIS ** 5 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 5 206 HIS 6 26 HIS 6 206 HIS 7 162 GLN 7 206 HIS 7 215 GLN a 206 HIS ** b 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** c 26 HIS c 206 HIS d 162 GLN d 206 HIS ** d 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 162 GLN e 206 HIS g 206 HIS ** h 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** i 26 HIS i 206 HIS j 26 HIS j 206 HIS k 162 GLN k 206 HIS k 215 GLN l 215 GLN m 206 HIS ** n 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** o 206 HIS ** p 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** q 26 HIS q 206 HIS r 162 GLN r 206 HIS r 215 GLN u 206 HIS ** v 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** w 26 HIS w 206 HIS x 162 GLN x 206 HIS x 215 GLN Total number of N/Q/H flips: 76 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8553 moved from start: 0.4657 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.032 109620 Z= 0.185 Angle : 0.553 7.362 148140 Z= 0.281 Chirality : 0.045 0.150 17340 Planarity : 0.004 0.031 18900 Dihedral : 4.687 21.447 14880 Min Nonbonded Distance : 2.237 Molprobity Statistics. All-atom Clashscore : 7.51 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.37 % Favored : 97.63 % Rotamer: Outliers : 0.95 % Allowed : 15.29 % Favored : 83.76 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 2.24 (0.07), residues: 13860 helix: 2.68 (0.07), residues: 5040 sheet: 1.81 (0.09), residues: 3300 loop : 0.16 (0.08), residues: 5520 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.016 0.001 TRP P 163 HIS 0.009 0.001 HIS w 26 PHE 0.019 0.002 PHE i 204 TYR 0.006 0.001 TYR K 65 ARG 0.003 0.000 ARG q 107 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 27720 Ramachandran restraints generated. 13860 Oldfield, 0 Emsley, 13860 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 27720 Ramachandran restraints generated. 13860 Oldfield, 0 Emsley, 13860 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1796 residues out of total 11400 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 108 poor density : 1688 time to evaluate : 9.063 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: 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: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 108 outliers final: 38 residues processed: 1742 average time/residue: 0.9581 time to fit residues: 2869.0202 Evaluate side-chains 1603 residues out of total 11400 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 38 poor density : 1565 time to evaluate : 9.133 Switching outliers to nearest non-outliers outliers start: 38 outliers final: 0 residues processed: 38 average time/residue: 0.8250 time to fit residues: 69.1205 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1380 random chunks: chunk 448 optimal weight: 2.9990 chunk 1201 optimal weight: 5.9990 chunk 263 optimal weight: 10.0000 chunk 783 optimal weight: 6.9990 chunk 329 optimal weight: 0.9980 chunk 1335 optimal weight: 5.9990 chunk 1108 optimal weight: 2.9990 chunk 618 optimal weight: 7.9990 chunk 111 optimal weight: 2.9990 chunk 441 optimal weight: 4.9990 chunk 700 optimal weight: 6.9990 overall best weight: 2.9988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 206 HIS ** B 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 206 HIS ** D 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 206 HIS E 26 HIS F 26 HIS G 206 HIS G 215 GLN ** H 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** I 206 HIS ** J 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 206 HIS K 206 HIS ** L 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 206 HIS M 26 HIS N 206 HIS ** O 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Q 206 HIS ** R 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** R 206 HIS S 26 HIS T 206 HIS U 206 HIS ** V 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** W 206 HIS ** X 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** X 30 HIS Y 26 HIS Z 26 HIS 0 206 HIS ** 1 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 2 206 HIS ** 3 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 3 206 HIS 4 206 HIS ** 5 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 5 206 HIS 6 26 HIS 7 206 HIS 7 215 GLN ** 8 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 9 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** a 206 HIS ** b 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** c 26 HIS d 206 HIS e 206 HIS ** f 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** g 206 HIS ** h 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** i 26 HIS j 26 HIS k 206 HIS ** k 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** m 206 HIS ** n 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** o 206 HIS ** p 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** q 26 HIS r 206 HIS ** r 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** u 206 HIS ** v 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** w 26 HIS x 206 HIS ** x 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 45 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8630 moved from start: 0.4784 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.006 0.047 109620 Z= 0.381 Angle : 0.625 7.926 148140 Z= 0.315 Chirality : 0.047 0.153 17340 Planarity : 0.004 0.034 18900 Dihedral : 4.801 22.022 14880 Min Nonbonded Distance : 2.198 Molprobity Statistics. All-atom Clashscore : 8.66 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.66 % Favored : 97.34 % Rotamer: Outliers : 1.32 % Allowed : 15.00 % Favored : 83.68 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.88 (0.07), residues: 13860 helix: 2.38 (0.07), residues: 5160 sheet: 1.66 (0.09), residues: 3300 loop : -0.14 (0.08), residues: 5400 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.012 0.001 TRP V 163 HIS 0.009 0.001 HIS w 26 PHE 0.016 0.002 PHE Z 204 TYR 0.008 0.002 TYR 4 65 ARG 0.008 0.001 ARG 6 7 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 27720 Ramachandran restraints generated. 13860 Oldfield, 0 Emsley, 13860 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 27720 Ramachandran restraints generated. 13860 Oldfield, 0 Emsley, 13860 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1685 residues out of total 11400 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 150 poor density : 1535 time to evaluate : 9.122 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 150 outliers final: 91 residues processed: 1619 average time/residue: 0.9615 time to fit residues: 2700.6219 Evaluate side-chains 1478 residues out of total 11400 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 91 poor density : 1387 time to evaluate : 9.016 Switching outliers to nearest non-outliers outliers start: 91 outliers final: 0 residues processed: 91 average time/residue: 0.7786 time to fit residues: 146.9558 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1380 random chunks: chunk 1287 optimal weight: 0.9990 chunk 150 optimal weight: 0.7980 chunk 760 optimal weight: 1.9990 chunk 975 optimal weight: 2.9990 chunk 755 optimal weight: 7.9990 chunk 1123 optimal weight: 5.9990 chunk 745 optimal weight: 4.9990 chunk 1330 optimal weight: 7.9990 chunk 832 optimal weight: 3.9990 chunk 810 optimal weight: 4.9990 chunk 614 optimal weight: 1.9990 overall best weight: 1.7588 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 206 HIS A 215 GLN ** B 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 206 HIS C 206 HIS ** D 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 206 HIS E 206 HIS F 206 HIS G 206 HIS G 215 GLN ** H 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 206 HIS I 206 HIS ** J 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 206 HIS K 206 HIS ** L 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 206 HIS M 206 HIS N 206 HIS N 215 GLN ** O 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** O 206 HIS ** P 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 206 HIS Q 206 HIS ** R 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** R 206 HIS S 206 HIS T 206 HIS T 215 GLN U 206 HIS U 215 GLN ** V 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** V 206 HIS W 206 HIS ** X 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Y 206 HIS Z 206 HIS 0 206 HIS 0 215 GLN ** 1 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 1 206 HIS 2 206 HIS ** 3 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 3 206 HIS 4 206 HIS ** 5 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 5 206 HIS 6 206 HIS 7 206 HIS 7 215 GLN ** 8 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 8 206 HIS ** 9 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 9 206 HIS a 206 HIS ** b 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** c 206 HIS d 206 HIS d 215 GLN e 206 HIS e 215 GLN ** f 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** f 206 HIS g 206 HIS ** h 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** i 206 HIS j 206 HIS k 206 HIS ** l 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** l 206 HIS m 206 HIS ** n 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** o 206 HIS ** p 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** q 206 HIS r 206 HIS ** s 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** s 206 HIS ** t 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** t 206 HIS u 206 HIS ** v 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** w 206 HIS x 206 HIS ** x 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 63 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8605 moved from start: 0.4918 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.050 109620 Z= 0.246 Angle : 0.572 7.951 148140 Z= 0.289 Chirality : 0.046 0.151 17340 Planarity : 0.004 0.033 18900 Dihedral : 4.717 26.579 14880 Min Nonbonded Distance : 2.231 Molprobity Statistics. All-atom Clashscore : 8.92 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.60 % Favored : 97.40 % Rotamer: Outliers : 0.81 % Allowed : 15.82 % Favored : 83.38 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.87 (0.07), residues: 13860 helix: 2.47 (0.07), residues: 5160 sheet: 1.56 (0.09), residues: 3300 loop : -0.18 (0.08), residues: 5400 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.009 0.001 TRP B 163 HIS 0.006 0.001 HIS b 170 PHE 0.015 0.002 PHE i 204 TYR 0.007 0.001 TYR W 65 ARG 0.004 0.000 ARG e 119 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 27720 Ramachandran restraints generated. 13860 Oldfield, 0 Emsley, 13860 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 27720 Ramachandran restraints generated. 13860 Oldfield, 0 Emsley, 13860 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1660 residues out of total 11400 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 92 poor density : 1568 time to evaluate : 8.151 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: 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: 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: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 92 outliers final: 27 residues processed: 1629 average time/residue: 0.9219 time to fit residues: 2607.5294 Evaluate side-chains 1489 residues out of total 11400 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 27 poor density : 1462 time to evaluate : 9.104 Switching outliers to nearest non-outliers outliers start: 27 outliers final: 0 residues processed: 27 average time/residue: 0.8316 time to fit residues: 53.0165 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1380 random chunks: chunk 822 optimal weight: 0.9990 chunk 531 optimal weight: 3.9990 chunk 794 optimal weight: 3.9990 chunk 400 optimal weight: 9.9990 chunk 261 optimal weight: 5.9990 chunk 257 optimal weight: 4.9990 chunk 845 optimal weight: 0.9990 chunk 906 optimal weight: 5.9990 chunk 657 optimal weight: 3.9990 chunk 123 optimal weight: 2.9990 chunk 1045 optimal weight: 4.9990 overall best weight: 2.5990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A 206 HIS ** A 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 206 HIS C 206 HIS ** D 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** E 206 HIS ** F 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** F 206 HIS ** G 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 206 HIS ** H 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 206 HIS I 206 HIS ** J 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** K 206 HIS ** L 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** M 206 HIS ** N 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** N 206 HIS ** N 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** O 206 HIS ** P 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 206 HIS Q 206 HIS ** R 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** S 206 HIS ** T 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** T 206 HIS ** T 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** U 206 HIS ** U 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** V 206 HIS W 206 HIS ** X 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Y 206 HIS ** Z 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Z 206 HIS ** 0 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 0 206 HIS ** 0 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 1 206 HIS 2 206 HIS ** 3 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 4 206 HIS ** 5 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 6 206 HIS ** 7 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 7 206 HIS ** 7 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 8 206 HIS ** 9 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 9 206 HIS a 206 HIS ** b 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** c 206 HIS ** d 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** d 206 HIS ** d 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** e 206 HIS ** e 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** f 206 HIS g 206 HIS ** h 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** i 206 HIS ** j 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** j 206 HIS ** k 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** k 206 HIS ** l 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** l 206 HIS m 206 HIS ** n 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** o 206 HIS ** p 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** q 206 HIS ** r 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** r 206 HIS ** s 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** s 206 HIS ** t 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** t 206 HIS u 206 HIS ** v 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** w 206 HIS ** x 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** x 206 HIS ** x 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 48 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8629 moved from start: 0.5016 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.041 109620 Z= 0.337 Angle : 0.610 8.125 148140 Z= 0.307 Chirality : 0.047 0.158 17340 Planarity : 0.004 0.033 18900 Dihedral : 4.769 26.794 14880 Min Nonbonded Distance : 2.223 Molprobity Statistics. All-atom Clashscore : 9.37 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.98 % Favored : 97.02 % Rotamer: Outliers : 1.50 % Allowed : 15.92 % Favored : 82.58 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.65 (0.07), residues: 13860 helix: 2.33 (0.07), residues: 5160 sheet: 1.42 (0.08), residues: 3300 loop : -0.33 (0.08), residues: 5400 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.009 0.001 TRP B 163 HIS 0.006 0.001 HIS n 170 PHE 0.013 0.002 PHE F 204 TYR 0.008 0.001 TYR u 65 ARG 0.005 0.001 ARG e 119 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 27720 Ramachandran restraints generated. 13860 Oldfield, 0 Emsley, 13860 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 27720 Ramachandran restraints generated. 13860 Oldfield, 0 Emsley, 13860 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1611 residues out of total 11400 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 171 poor density : 1440 time to evaluate : 8.349 Fit side-chains outliers start: 171 outliers final: 138 residues processed: 1500 average time/residue: 0.9367 time to fit residues: 2439.0233 Evaluate side-chains 1481 residues out of total 11400 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 138 poor density : 1343 time to evaluate : 9.062 Switching outliers to nearest non-outliers outliers start: 138 outliers final: 0 residues processed: 138 average time/residue: 0.7596 time to fit residues: 209.5850 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1380 random chunks: chunk 1209 optimal weight: 2.9990 chunk 1274 optimal weight: 3.9990 chunk 1162 optimal weight: 0.9980 chunk 1239 optimal weight: 1.9990 chunk 1273 optimal weight: 0.9990 chunk 746 optimal weight: 7.9990 chunk 539 optimal weight: 7.9990 chunk 973 optimal weight: 1.9990 chunk 380 optimal weight: 0.8980 chunk 1120 optimal weight: 0.9980 chunk 1172 optimal weight: 0.7980 overall best weight: 0.9382 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 206 HIS ** B 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 206 HIS C 206 HIS ** D 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** E 206 HIS ** F 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** F 206 HIS G 206 HIS ** H 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 206 HIS I 206 HIS ** J 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** K 206 HIS ** L 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** M 206 HIS N 206 HIS ** O 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** O 206 HIS ** P 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 206 HIS Q 206 HIS ** R 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** S 206 HIS T 206 HIS U 206 HIS ** V 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** V 206 HIS W 206 HIS ** X 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Y 206 HIS ** Z 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Z 206 HIS 0 206 HIS ** 1 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 1 206 HIS 2 206 HIS ** 3 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 4 206 HIS ** 5 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 6 206 HIS 7 206 HIS ** 8 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 8 206 HIS ** 9 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 9 206 HIS a 206 HIS ** b 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** c 206 HIS d 206 HIS e 206 HIS ** f 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** f 206 HIS g 206 HIS ** h 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** i 206 HIS ** j 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** j 206 HIS k 206 HIS ** l 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** l 206 HIS m 206 HIS ** n 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** o 206 HIS ** p 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** q 206 HIS r 206 HIS ** s 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** s 206 HIS ** t 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** t 206 HIS u 206 HIS ** v 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** w 206 HIS x 206 HIS Total number of N/Q/H flips: 48 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8584 moved from start: 0.5137 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.031 109620 Z= 0.178 Angle : 0.563 12.333 148140 Z= 0.284 Chirality : 0.045 0.150 17340 Planarity : 0.004 0.032 18900 Dihedral : 4.643 26.701 14880 Min Nonbonded Distance : 2.229 Molprobity Statistics. All-atom Clashscore : 8.90 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.46 % Favored : 97.54 % Rotamer: Outliers : 0.25 % Allowed : 16.56 % Favored : 83.19 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.77 (0.07), residues: 13860 helix: 2.47 (0.07), residues: 5160 sheet: 1.46 (0.09), residues: 3300 loop : -0.30 (0.08), residues: 5400 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.005 0.001 TRP B 163 HIS 0.007 0.001 HIS p 170 PHE 0.013 0.001 PHE Z 204 TYR 0.006 0.001 TYR W 65 ARG 0.003 0.000 ARG e 119 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 27720 Ramachandran restraints generated. 13860 Oldfield, 0 Emsley, 13860 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 27720 Ramachandran restraints generated. 13860 Oldfield, 0 Emsley, 13860 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1554 residues out of total 11400 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 28 poor density : 1526 time to evaluate : 9.094 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: 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: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 28 outliers final: 27 residues processed: 1542 average time/residue: 0.9443 time to fit residues: 2515.4142 Evaluate side-chains 1452 residues out of total 11400 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 27 poor density : 1425 time to evaluate : 9.093 Switching outliers to nearest non-outliers outliers start: 27 outliers final: 0 residues processed: 27 average time/residue: 0.7631 time to fit residues: 51.3653 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1380 random chunks: chunk 1235 optimal weight: 3.9990 chunk 813 optimal weight: 0.6980 chunk 1310 optimal weight: 2.9990 chunk 799 optimal weight: 0.9980 chunk 621 optimal weight: 9.9990 chunk 911 optimal weight: 6.9990 chunk 1374 optimal weight: 1.9990 chunk 1265 optimal weight: 7.9990 chunk 1094 optimal weight: 2.9990 chunk 113 optimal weight: 3.9990 chunk 845 optimal weight: 2.9990 overall best weight: 1.9386 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 206 HIS ** B 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 206 HIS ** D 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** E 206 HIS ** F 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 206 HIS ** H 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 206 HIS ** J 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** N 206 HIS ** O 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** O 206 HIS ** P 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 206 HIS ** R 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** T 206 HIS U 206 HIS ** V 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** V 206 HIS ** X 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Y 206 HIS ** Z 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 0 206 HIS ** 1 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 1 206 HIS ** 3 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 7 206 HIS ** 8 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 8 206 HIS ** 9 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 9 206 HIS ** b 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** d 206 HIS ** e 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** e 206 HIS ** f 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** f 206 HIS ** h 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** k 206 HIS ** l 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** l 206 HIS ** n 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** r 206 HIS ** s 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** s 206 HIS ** t 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** t 206 HIS ** v 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** x 206 HIS Total number of N/Q/H flips: 26 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8610 moved from start: 0.5202 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.037 109620 Z= 0.271 Angle : 0.588 7.699 148140 Z= 0.296 Chirality : 0.046 0.145 17340 Planarity : 0.004 0.032 18900 Dihedral : 4.632 27.674 14880 Min Nonbonded Distance : 2.232 Molprobity Statistics. All-atom Clashscore : 9.50 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.05 % Favored : 96.95 % Rotamer: Outliers : 0.59 % Allowed : 16.99 % Favored : 82.42 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.65 (0.07), residues: 13860 helix: 2.40 (0.07), residues: 5160 sheet: 1.38 (0.09), residues: 3300 loop : -0.39 (0.08), residues: 5400 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.008 0.001 TRP 8 163 HIS 0.006 0.001 HIS k 170 PHE 0.014 0.001 PHE Z 204 TYR 0.022 0.001 TYR T 65 ARG 0.003 0.000 ARG p 119 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 27720 Ramachandran restraints generated. 13860 Oldfield, 0 Emsley, 13860 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 27720 Ramachandran restraints generated. 13860 Oldfield, 0 Emsley, 13860 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1545 residues out of total 11400 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 67 poor density : 1478 time to evaluate : 9.267 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: 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: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 67 outliers final: 66 residues processed: 1484 average time/residue: 0.9618 time to fit residues: 2475.7119 Evaluate side-chains 1463 residues out of total 11400 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 66 poor density : 1397 time to evaluate : 9.086 Switching outliers to nearest non-outliers outliers start: 66 outliers final: 0 residues processed: 66 average time/residue: 0.7591 time to fit residues: 108.9292 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1380 random chunks: chunk 671 optimal weight: 3.9990 chunk 869 optimal weight: 4.9990 chunk 1166 optimal weight: 4.9990 chunk 335 optimal weight: 3.9990 chunk 1009 optimal weight: 6.9990 chunk 161 optimal weight: 10.0000 chunk 304 optimal weight: 6.9990 chunk 1096 optimal weight: 0.9990 chunk 458 optimal weight: 3.9990 chunk 1125 optimal weight: 2.9990 chunk 138 optimal weight: 10.0000 overall best weight: 3.1990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A 206 HIS ** B 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 206 HIS ** D 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** E 206 HIS ** F 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 206 HIS ** H 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 206 HIS ** J 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** N 206 HIS ** O 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** O 206 HIS ** P 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 206 HIS ** R 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** T 206 HIS ** U 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** U 206 HIS ** V 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** V 206 HIS ** X 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Y 206 HIS ** Z 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 0 206 HIS ** 1 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 1 206 HIS ** 3 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 7 206 HIS ** 8 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 8 206 HIS ** 9 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 9 206 HIS ** b 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** d 206 HIS ** e 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** e 206 HIS ** f 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** f 162 GLN f 206 HIS ** h 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** k 206 HIS ** l 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** l 206 HIS ** n 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** r 206 HIS ** s 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** s 206 HIS ** t 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** t 206 HIS ** v 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** x 206 HIS Total number of N/Q/H flips: 27 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3474 r_free = 0.3474 target = 0.107146 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 48)----------------| | r_work = 0.3021 r_free = 0.3021 target = 0.080418 restraints weight = 220301.217| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 43)----------------| | r_work = 0.3055 r_free = 0.3055 target = 0.082304 restraints weight = 149165.484| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 30)----------------| | r_work = 0.3075 r_free = 0.3075 target = 0.083430 restraints weight = 119731.269| |-----------------------------------------------------------------------------| r_work (final): 0.2970 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8576 moved from start: 0.5247 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.006 0.050 109620 Z= 0.402 Angle : 0.651 9.014 148140 Z= 0.327 Chirality : 0.048 0.148 17340 Planarity : 0.004 0.033 18900 Dihedral : 4.769 28.622 14880 Min Nonbonded Distance : 2.171 Molprobity Statistics. All-atom Clashscore : 9.64 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.32 % Favored : 96.68 % Rotamer: Outliers : 0.21 % Allowed : 17.39 % Favored : 82.39 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.47 (0.07), residues: 13860 helix: 2.27 (0.07), residues: 5160 sheet: 1.27 (0.08), residues: 3300 loop : -0.51 (0.08), residues: 5400 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.011 0.002 TRP B 163 HIS 0.006 0.001 HIS m 45 PHE 0.015 0.002 PHE i 204 TYR 0.025 0.002 TYR T 65 ARG 0.004 0.001 ARG D 119 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 41470.94 seconds wall clock time: 716 minutes 14.24 seconds (42974.24 seconds total)