Starting phenix.real_space_refine on Fri Jan 19 06:08:48 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/2xea_1730/01_2024/2xea_1730.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/2xea_1730/01_2024/2xea_1730.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=4.6 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/2xea_1730/01_2024/2xea_1730.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/2xea_1730/01_2024/2xea_1730.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/2xea_1730/01_2024/2xea_1730.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/2xea_1730/01_2024/2xea_1730.pdb" } resolution = 4.6 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 ------------------------------------------------------------------------------- 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= 0.551 sd= 5.736 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: 5 Type Number sf(0) Gaussians P 147 5.49 5 S 49 5.16 5 C 38808 2.51 5 N 11074 2.21 5 O 12593 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "B TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ARG 61": "NH1" <-> "NH2" Residue "B ASP 66": "OD1" <-> "OD2" Residue "B ARG 71": "NH1" <-> "NH2" Residue "B PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 106": "OE1" <-> "OE2" Residue "B ASP 115": "OD1" <-> "OD2" Residue "B TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ARG 61": "NH1" <-> "NH2" Residue "D ASP 66": "OD1" <-> "OD2" Residue "D ARG 71": "NH1" <-> "NH2" Residue "D PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 106": "OE1" <-> "OE2" Residue "D ASP 115": "OD1" <-> "OD2" Residue "D TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ARG 61": "NH1" <-> "NH2" Residue "F ASP 66": "OD1" <-> "OD2" Residue "F ARG 71": "NH1" <-> "NH2" Residue "F PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F GLU 106": "OE1" <-> "OE2" Residue "F ASP 115": "OD1" <-> "OD2" Residue "F TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H ARG 61": "NH1" <-> "NH2" Residue "H ASP 66": "OD1" <-> "OD2" Residue "H ARG 71": "NH1" <-> "NH2" Residue "H PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H GLU 106": "OE1" <-> "OE2" Residue "H ASP 115": "OD1" <-> "OD2" Residue "H TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ARG 61": "NH1" <-> "NH2" Residue "J ASP 66": "OD1" <-> "OD2" Residue "J ARG 71": "NH1" <-> "NH2" Residue "J PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J GLU 106": "OE1" <-> "OE2" Residue "J ASP 115": "OD1" <-> "OD2" Residue "J TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ARG 61": "NH1" <-> "NH2" Residue "L ASP 66": "OD1" <-> "OD2" Residue "L ARG 71": "NH1" <-> "NH2" Residue "L PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L GLU 106": "OE1" <-> "OE2" Residue "L ASP 115": "OD1" <-> "OD2" Residue "L TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ARG 61": "NH1" <-> "NH2" Residue "N ASP 66": "OD1" <-> "OD2" Residue "N ARG 71": "NH1" <-> "NH2" Residue "N PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N GLU 106": "OE1" <-> "OE2" Residue "N ASP 115": "OD1" <-> "OD2" Residue "N TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ARG 61": "NH1" <-> "NH2" Residue "P ASP 66": "OD1" <-> "OD2" Residue "P ARG 71": "NH1" <-> "NH2" Residue "P PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P GLU 106": "OE1" <-> "OE2" Residue "P ASP 115": "OD1" <-> "OD2" Residue "P TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S ARG 61": "NH1" <-> "NH2" Residue "S ASP 66": "OD1" <-> "OD2" Residue "S ARG 71": "NH1" <-> "NH2" Residue "S PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S GLU 106": "OE1" <-> "OE2" Residue "S ASP 115": "OD1" <-> "OD2" Residue "S TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U ARG 61": "NH1" <-> "NH2" Residue "U ASP 66": "OD1" <-> "OD2" Residue "U ARG 71": "NH1" <-> "NH2" Residue "U PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U GLU 106": "OE1" <-> "OE2" Residue "U ASP 115": "OD1" <-> "OD2" Residue "U TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W ARG 61": "NH1" <-> "NH2" Residue "W ASP 66": "OD1" <-> "OD2" Residue "W ARG 71": "NH1" <-> "NH2" Residue "W PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W GLU 106": "OE1" <-> "OE2" Residue "W ASP 115": "OD1" <-> "OD2" Residue "W TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y ARG 61": "NH1" <-> "NH2" Residue "Y ASP 66": "OD1" <-> "OD2" Residue "Y ARG 71": "NH1" <-> "NH2" Residue "Y PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y GLU 106": "OE1" <-> "OE2" Residue "Y ASP 115": "OD1" <-> "OD2" Residue "Y TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 ARG 61": "NH1" <-> "NH2" Residue "0 ASP 66": "OD1" <-> "OD2" Residue "0 ARG 71": "NH1" <-> "NH2" Residue "0 PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 GLU 106": "OE1" <-> "OE2" Residue "0 ASP 115": "OD1" <-> "OD2" Residue "0 TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 ARG 61": "NH1" <-> "NH2" Residue "2 ASP 66": "OD1" <-> "OD2" Residue "2 ARG 71": "NH1" <-> "NH2" Residue "2 PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 GLU 106": "OE1" <-> "OE2" Residue "2 ASP 115": "OD1" <-> "OD2" Residue "2 TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 ARG 61": "NH1" <-> "NH2" Residue "4 ASP 66": "OD1" <-> "OD2" Residue "4 ARG 71": "NH1" <-> "NH2" Residue "4 PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 GLU 106": "OE1" <-> "OE2" Residue "4 ASP 115": "OD1" <-> "OD2" Residue "4 TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 ARG 61": "NH1" <-> "NH2" Residue "6 ASP 66": "OD1" <-> "OD2" Residue "6 ARG 71": "NH1" <-> "NH2" Residue "6 PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 GLU 106": "OE1" <-> "OE2" Residue "6 ASP 115": "OD1" <-> "OD2" Residue "6 TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 ARG 61": "NH1" <-> "NH2" Residue "8 ASP 66": "OD1" <-> "OD2" Residue "8 ARG 71": "NH1" <-> "NH2" Residue "8 PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 GLU 106": "OE1" <-> "OE2" Residue "8 ASP 115": "OD1" <-> "OD2" Residue "8 TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a ARG 61": "NH1" <-> "NH2" Residue "a ASP 66": "OD1" <-> "OD2" Residue "a ARG 71": "NH1" <-> "NH2" Residue "a PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a GLU 106": "OE1" <-> "OE2" Residue "a ASP 115": "OD1" <-> "OD2" Residue "a TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c ARG 61": "NH1" <-> "NH2" Residue "c ASP 66": "OD1" <-> "OD2" Residue "c ARG 71": "NH1" <-> "NH2" Residue "c PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c GLU 106": "OE1" <-> "OE2" Residue "c ASP 115": "OD1" <-> "OD2" Residue "c TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e ARG 61": "NH1" <-> "NH2" Residue "e ASP 66": "OD1" <-> "OD2" Residue "e ARG 71": "NH1" <-> "NH2" Residue "e PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e GLU 106": "OE1" <-> "OE2" Residue "e ASP 115": "OD1" <-> "OD2" Residue "e TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g ARG 61": "NH1" <-> "NH2" Residue "g ASP 66": "OD1" <-> "OD2" Residue "g ARG 71": "NH1" <-> "NH2" Residue "g PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g GLU 106": "OE1" <-> "OE2" Residue "g ASP 115": "OD1" <-> "OD2" Residue "g TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i ARG 61": "NH1" <-> "NH2" Residue "i ASP 66": "OD1" <-> "OD2" Residue "i ARG 71": "NH1" <-> "NH2" Residue "i PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i GLU 106": "OE1" <-> "OE2" Residue "i ASP 115": "OD1" <-> "OD2" Residue "i TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k ARG 61": "NH1" <-> "NH2" Residue "k ASP 66": "OD1" <-> "OD2" Residue "k ARG 71": "NH1" <-> "NH2" Residue "k PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k GLU 106": "OE1" <-> "OE2" Residue "k ASP 115": "OD1" <-> "OD2" Residue "k TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m ARG 61": "NH1" <-> "NH2" Residue "m ASP 66": "OD1" <-> "OD2" Residue "m ARG 71": "NH1" <-> "NH2" Residue "m PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m GLU 106": "OE1" <-> "OE2" Residue "m ASP 115": "OD1" <-> "OD2" Residue "m TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 61": "NH1" <-> "NH2" Residue "A ASP 66": "OD1" <-> "OD2" Residue "A ARG 71": "NH1" <-> "NH2" Residue "A PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 106": "OE1" <-> "OE2" Residue "A ASP 115": "OD1" <-> "OD2" Residue "A TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o ARG 61": "NH1" <-> "NH2" Residue "o ASP 66": "OD1" <-> "OD2" Residue "o ARG 71": "NH1" <-> "NH2" Residue "o PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o GLU 106": "OE1" <-> "OE2" Residue "o ASP 115": "OD1" <-> "OD2" Residue "o TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q ARG 61": "NH1" <-> "NH2" Residue "q ASP 66": "OD1" <-> "OD2" Residue "q ARG 71": "NH1" <-> "NH2" Residue "q PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q GLU 106": "OE1" <-> "OE2" Residue "q ASP 115": "OD1" <-> "OD2" Residue "q TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s ARG 61": "NH1" <-> "NH2" Residue "s ASP 66": "OD1" <-> "OD2" Residue "s ARG 71": "NH1" <-> "NH2" Residue "s PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s GLU 106": "OE1" <-> "OE2" Residue "s ASP 115": "OD1" <-> "OD2" Residue "s TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u ARG 61": "NH1" <-> "NH2" Residue "u ASP 66": "OD1" <-> "OD2" Residue "u ARG 71": "NH1" <-> "NH2" Residue "u PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u GLU 106": "OE1" <-> "OE2" Residue "u ASP 115": "OD1" <-> "OD2" Residue "u TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w ARG 61": "NH1" <-> "NH2" Residue "w ASP 66": "OD1" <-> "OD2" Residue "w ARG 71": "NH1" <-> "NH2" Residue "w PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w GLU 106": "OE1" <-> "OE2" Residue "w ASP 115": "OD1" <-> "OD2" Residue "w TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y ARG 61": "NH1" <-> "NH2" Residue "y ASP 66": "OD1" <-> "OD2" Residue "y ARG 71": "NH1" <-> "NH2" Residue "y PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y GLU 106": "OE1" <-> "OE2" Residue "y ASP 115": "OD1" <-> "OD2" Residue "y TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AA TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AA PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AA ARG 61": "NH1" <-> "NH2" Residue "AA ASP 66": "OD1" <-> "OD2" Residue "AA ARG 71": "NH1" <-> "NH2" Residue "AA PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AA GLU 106": "OE1" <-> "OE2" Residue "AA ASP 115": "OD1" <-> "OD2" Residue "AA TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AC TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AC PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AC ARG 61": "NH1" <-> "NH2" Residue "AC ASP 66": "OD1" <-> "OD2" Residue "AC ARG 71": "NH1" <-> "NH2" Residue "AC PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AC GLU 106": "OE1" <-> "OE2" Residue "AC ASP 115": "OD1" <-> "OD2" Residue "AC TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AE TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AE PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AE ARG 61": "NH1" <-> "NH2" Residue "AE ASP 66": "OD1" <-> "OD2" Residue "AE ARG 71": "NH1" <-> "NH2" Residue "AE PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AE GLU 106": "OE1" <-> "OE2" Residue "AE ASP 115": "OD1" <-> "OD2" Residue "AE TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AG TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AG PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AG ARG 61": "NH1" <-> "NH2" Residue "AG ASP 66": "OD1" <-> "OD2" Residue "AG ARG 71": "NH1" <-> "NH2" Residue "AG PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AG GLU 106": "OE1" <-> "OE2" Residue "AG ASP 115": "OD1" <-> "OD2" Residue "AG TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AI TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AI PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AI ARG 61": "NH1" <-> "NH2" Residue "AI ASP 66": "OD1" <-> "OD2" Residue "AI ARG 71": "NH1" <-> "NH2" Residue "AI PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AI GLU 106": "OE1" <-> "OE2" Residue "AI ASP 115": "OD1" <-> "OD2" Residue "AI TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AK TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AK PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AK ARG 61": "NH1" <-> "NH2" Residue "AK ASP 66": "OD1" <-> "OD2" Residue "AK ARG 71": "NH1" <-> "NH2" Residue "AK PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AK GLU 106": "OE1" <-> "OE2" Residue "AK ASP 115": "OD1" <-> "OD2" Residue "AK TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AM TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AM PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AM ARG 61": "NH1" <-> "NH2" Residue "AM ASP 66": "OD1" <-> "OD2" Residue "AM ARG 71": "NH1" <-> "NH2" Residue "AM PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AM GLU 106": "OE1" <-> "OE2" Residue "AM ASP 115": "OD1" <-> "OD2" Residue "AM TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AO TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AO PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AO ARG 61": "NH1" <-> "NH2" Residue "AO ASP 66": "OD1" <-> "OD2" Residue "AO ARG 71": "NH1" <-> "NH2" Residue "AO PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AO GLU 106": "OE1" <-> "OE2" Residue "AO ASP 115": "OD1" <-> "OD2" Residue "AO TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AQ TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AQ PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AQ ARG 61": "NH1" <-> "NH2" Residue "AQ ASP 66": "OD1" <-> "OD2" Residue "AQ ARG 71": "NH1" <-> "NH2" Residue "AQ PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AQ GLU 106": "OE1" <-> "OE2" Residue "AQ ASP 115": "OD1" <-> "OD2" Residue "AQ TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AS TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AS PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AS ARG 61": "NH1" <-> "NH2" Residue "AS ASP 66": "OD1" <-> "OD2" Residue "AS ARG 71": "NH1" <-> "NH2" Residue "AS PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AS GLU 106": "OE1" <-> "OE2" Residue "AS ASP 115": "OD1" <-> "OD2" Residue "AS TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AU TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AU PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AU ARG 61": "NH1" <-> "NH2" Residue "AU ASP 66": "OD1" <-> "OD2" Residue "AU ARG 71": "NH1" <-> "NH2" Residue "AU PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AU GLU 106": "OE1" <-> "OE2" Residue "AU ASP 115": "OD1" <-> "OD2" Residue "AU TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AW TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AW PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AW ARG 61": "NH1" <-> "NH2" Residue "AW ASP 66": "OD1" <-> "OD2" Residue "AW ARG 71": "NH1" <-> "NH2" Residue "AW PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AW GLU 106": "OE1" <-> "OE2" Residue "AW ASP 115": "OD1" <-> "OD2" Residue "AW TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AY TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AY PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AY ARG 61": "NH1" <-> "NH2" Residue "AY ASP 66": "OD1" <-> "OD2" Residue "AY ARG 71": "NH1" <-> "NH2" Residue "AY PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AY GLU 106": "OE1" <-> "OE2" Residue "AY ASP 115": "OD1" <-> "OD2" Residue "AY TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A0 TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A0 PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A0 ARG 61": "NH1" <-> "NH2" Residue "A0 ASP 66": "OD1" <-> "OD2" Residue "A0 ARG 71": "NH1" <-> "NH2" Residue "A0 PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A0 GLU 106": "OE1" <-> "OE2" Residue "A0 ASP 115": "OD1" <-> "OD2" Residue "A0 TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A2 TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A2 PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A2 ARG 61": "NH1" <-> "NH2" Residue "A2 ASP 66": "OD1" <-> "OD2" Residue "A2 ARG 71": "NH1" <-> "NH2" Residue "A2 PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A2 GLU 106": "OE1" <-> "OE2" Residue "A2 ASP 115": "OD1" <-> "OD2" Residue "A2 TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A4 TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A4 PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A4 ARG 61": "NH1" <-> "NH2" Residue "A4 ASP 66": "OD1" <-> "OD2" Residue "A4 ARG 71": "NH1" <-> "NH2" Residue "A4 PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A4 GLU 106": "OE1" <-> "OE2" Residue "A4 ASP 115": "OD1" <-> "OD2" Residue "A4 TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A6 TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A6 PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A6 ARG 61": "NH1" <-> "NH2" Residue "A6 ASP 66": "OD1" <-> "OD2" Residue "A6 ARG 71": "NH1" <-> "NH2" Residue "A6 PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A6 GLU 106": "OE1" <-> "OE2" Residue "A6 ASP 115": "OD1" <-> "OD2" Residue "A6 TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A8 TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A8 PHE 10": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A8 ARG 61": "NH1" <-> "NH2" Residue "A8 ASP 66": "OD1" <-> "OD2" Residue "A8 ARG 71": "NH1" <-> "NH2" Residue "A8 PHE 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A8 GLU 106": "OE1" <-> "OE2" Residue "A8 ASP 115": "OD1" <-> "OD2" Residue "A8 TYR 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Time to flip residues: 0.16s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-1.21-5211/modules/chem_data/mon_lib" Total number of atoms: 62671 Number of models: 1 Model: "" Number of chains: 98 Chain: "B" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "C" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "D" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "E" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "F" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "G" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "H" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "I" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "J" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "K" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "L" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "M" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "N" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "O" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "P" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "Q" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "S" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "T" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "U" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "V" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "W" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "X" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "Y" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "Z" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "0" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "1" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "2" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "3" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "4" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "5" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "6" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "7" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "8" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "9" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "a" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "b" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "c" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "d" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "e" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "f" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "g" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "h" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "i" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "j" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "k" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "l" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "m" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "n" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "A" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "R" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "o" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "p" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "q" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "r" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "s" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "t" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "u" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "v" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "w" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "x" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "y" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "z" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "AA" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "AB" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "AC" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "AD" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "AE" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "AF" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "AG" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "AH" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "AI" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "AJ" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "AK" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "AL" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "AM" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "AN" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "AO" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "AP" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "AQ" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "AR" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "AS" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "AT" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "AU" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "AV" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "AW" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "AX" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "AY" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "AZ" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "A0" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "A1" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "A2" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "A3" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "A4" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "A5" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "A6" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "A7" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Chain: "A8" Number of atoms: 1212 Number of conformers: 1 Conformer: "A" Number of residues, atoms: 154, 1212 Classifications: {'peptide': 154} Link IDs: {'CIS': 2, 'PCIS': 1, 'PTRANS': 6, 'TRANS': 144} Chain: "A9" Number of atoms: 67 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 67 Classifications: {'RNA': 3} Modifications used: {'rna3p_pur': 3} Link IDs: {'rna3p': 2} Residues with excluded nonbonded symmetry interactions: 7644 residue: pdb=" N SER B 1 " occ=0.20 ... (4 atoms not shown) pdb=" OG SER B 1 " occ=0.20 residue: pdb=" N TYR B 2 " occ=0.20 ... (10 atoms not shown) pdb=" OH TYR B 2 " occ=0.20 residue: pdb=" N SER B 3 " occ=0.20 ... (4 atoms not shown) pdb=" OG SER B 3 " occ=0.20 residue: pdb=" N ILE B 4 " occ=0.20 ... (6 atoms not shown) pdb=" CD1 ILE B 4 " occ=0.20 residue: pdb=" N THR B 5 " occ=0.20 ... (5 atoms not shown) pdb=" CG2 THR B 5 " occ=0.20 residue: pdb=" N THR B 6 " occ=0.20 ... (5 atoms not shown) pdb=" CG2 THR B 6 " occ=0.20 residue: pdb=" N PRO B 7 " occ=0.20 ... (5 atoms not shown) pdb=" CD PRO B 7 " occ=0.20 residue: pdb=" N SER B 8 " occ=0.20 ... (4 atoms not shown) pdb=" OG SER B 8 " occ=0.20 residue: pdb=" N GLN B 9 " occ=0.20 ... (7 atoms not shown) pdb=" NE2 GLN B 9 " occ=0.20 residue: pdb=" N PHE B 10 " occ=0.20 ... (9 atoms not shown) pdb=" CZ PHE B 10 " occ=0.20 residue: pdb=" N VAL B 11 " occ=0.20 ... (5 atoms not shown) pdb=" CG2 VAL B 11 " occ=0.20 residue: pdb=" N PHE B 12 " occ=0.20 ... (9 atoms not shown) pdb=" CZ PHE B 12 " occ=0.20 ... (remaining 7632 not shown) Time building chain proxies: 26.43, per 1000 atoms: 0.42 Number of scatterers: 62671 At special positions: 0 Unit cell: (197.16, 197.16, 117.8, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 5 Type Number sf(0) S 49 16.00 P 147 15.00 O 12593 8.00 N 11074 7.00 C 38808 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 Atom "ATOM 14029 O5' A X 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 11471 O5' A T 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 22982 O5' A b 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 29377 O5' A l 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 26819 O5' A h 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 40888 O5' AAB 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 1239 O5' A C 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 5076 O5' A I 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 16587 O5' A 1 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 25540 O5' A f 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 38330 O5' A x 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 8913 O5' A O 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 33214 O5' A p 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 12750 O5' A V 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 10192 O5' A Q 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 31935 O5' A R 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 6355 O5' A K 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 2518 O5' A E 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 30656 O5' A n 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 24261 O5' A d 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 34493 O5' A r 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 28098 O5' A j 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 21703 O5' A 9 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 7634 O5' A M 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 19145 O5' A 5 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 39609 O5' A z 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 3797 O5' A G 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 15308 O5' A Z 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 37051 O5' A v 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 20424 O5' A 7 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 17866 O5' A 3 5 .*. O " rejected from bonding due to valence issues. Atom "ATOM 35772 O5' A t 5 .*. O " rejected from bonding due to valence issues. Number of custom bonds: simple=0, symmetry=0 Time building additional restraints: 21.69 Conformation dependent library (CDL) restraints added in 8.1 seconds 14896 Ramachandran restraints generated. 7448 Oldfield, 0 Emsley, 7448 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 14602 Finding SS restraints... Secondary structure from input PDB file: 441 helices and 49 sheets defined 61.7% alpha, 2.6% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 15.52 Creating SS restraints... Processing helix chain 'A' and resid 8 through 14 Processing helix chain 'A' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEU A 26 " --> pdb=" O GLU A 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THR A 28 " --> pdb=" O ILE A 24 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASN A 29 " --> pdb=" O ASN A 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLY A 32 " --> pdb=" O THR A 28 " (cutoff:3.500A) Processing helix chain 'A' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARG A 46 " --> pdb=" O THR A 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHE A 48 " --> pdb=" O VAL A 44 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLU A 50 " --> pdb=" O ARG A 46 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VAL A 51 " --> pdb=" O GLN A 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRP A 52 " --> pdb=" O PHE A 48 " (cutoff:3.500A) Processing helix chain 'A' and resid 76 through 82 Processing helix chain 'A' and resid 82 through 87 Processing helix chain 'A' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL A 96 " --> pdb=" O ARG A 92 " (cutoff:3.500A) Processing helix chain 'A' and resid 103 through 109 removed outlier: 4.299A pdb=" N THR A 107 " --> pdb=" O THR A 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASP A 109 " --> pdb=" O ALA A 105 " (cutoff:3.500A) Processing helix chain 'A' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARG A 113 " --> pdb=" O ASP A 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALA A 117 " --> pdb=" O ARG A 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR A 118 " --> pdb=" O VAL A 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VAL A 119 " --> pdb=" O ASP A 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN A 126 " --> pdb=" O ARG A 122 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEU A 128 " --> pdb=" O ALA A 124 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N GLU A 131 " --> pdb=" O ASN A 127 " (cutoff:3.500A) Processing helix chain 'A' and resid 141 through 149 removed outlier: 3.795A pdb=" N GLU A 145 " --> pdb=" O ARG A 141 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N SER A 146 " --> pdb=" O SER A 142 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N SER A 148 " --> pdb=" O PHE A 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLY A 149 " --> pdb=" O GLU A 145 " (cutoff:3.500A) Processing helix chain 'B' and resid 8 through 14 Processing helix chain 'B' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEU B 26 " --> pdb=" O GLU B 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THR B 28 " --> pdb=" O ILE B 24 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASN B 29 " --> pdb=" O ASN B 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLY B 32 " --> pdb=" O THR B 28 " (cutoff:3.500A) Processing helix chain 'B' and resid 37 through 52 removed outlier: 4.116A pdb=" N ARG B 46 " --> pdb=" O THR B 42 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N PHE B 48 " --> pdb=" O VAL B 44 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLU B 50 " --> pdb=" O ARG B 46 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VAL B 51 " --> pdb=" O GLN B 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRP B 52 " --> pdb=" O PHE B 48 " (cutoff:3.500A) Processing helix chain 'B' and resid 76 through 82 Processing helix chain 'B' and resid 82 through 87 Processing helix chain 'B' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL B 96 " --> pdb=" O ARG B 92 " (cutoff:3.500A) Processing helix chain 'B' and resid 103 through 109 removed outlier: 4.299A pdb=" N THR B 107 " --> pdb=" O THR B 103 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ASP B 109 " --> pdb=" O ALA B 105 " (cutoff:3.500A) Processing helix chain 'B' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARG B 113 " --> pdb=" O ASP B 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALA B 117 " --> pdb=" O ARG B 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR B 118 " --> pdb=" O VAL B 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VAL B 119 " --> pdb=" O ASP B 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN B 126 " --> pdb=" O ARG B 122 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEU B 128 " --> pdb=" O ALA B 124 " (cutoff:3.500A) removed outlier: 4.398A pdb=" N GLU B 131 " --> pdb=" O ASN B 127 " (cutoff:3.500A) Processing helix chain 'B' and resid 141 through 149 removed outlier: 3.795A pdb=" N GLU B 145 " --> pdb=" O ARG B 141 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N SER B 146 " --> pdb=" O SER B 142 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N SER B 148 " --> pdb=" O PHE B 144 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N GLY B 149 " --> pdb=" O GLU B 145 " (cutoff:3.500A) Processing helix chain 'D' and resid 8 through 14 Processing helix chain 'D' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEU D 26 " --> pdb=" O GLU D 22 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N THR D 28 " --> pdb=" O ILE D 24 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASN D 29 " --> pdb=" O ASN D 25 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N GLY D 32 " --> pdb=" O THR D 28 " (cutoff:3.500A) Processing helix chain 'D' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARG D 46 " --> pdb=" O THR D 42 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N PHE D 48 " --> pdb=" O VAL D 44 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLU D 50 " --> pdb=" O ARG D 46 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N VAL D 51 " --> pdb=" O GLN D 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRP D 52 " --> pdb=" O PHE D 48 " (cutoff:3.500A) Processing helix chain 'D' and resid 76 through 82 Processing helix chain 'D' and resid 82 through 87 Processing helix chain 'D' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL D 96 " --> pdb=" O ARG D 92 " (cutoff:3.500A) Processing helix chain 'D' and resid 103 through 109 removed outlier: 4.298A pdb=" N THR D 107 " --> pdb=" O THR D 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASP D 109 " --> pdb=" O ALA D 105 " (cutoff:3.500A) Processing helix chain 'D' and resid 109 through 131 removed outlier: 3.674A pdb=" N ARG D 113 " --> pdb=" O ASP D 109 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N ALA D 117 " --> pdb=" O ARG D 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR D 118 " --> pdb=" O VAL D 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VAL D 119 " --> pdb=" O ASP D 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN D 126 " --> pdb=" O ARG D 122 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEU D 128 " --> pdb=" O ALA D 124 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N GLU D 131 " --> pdb=" O ASN D 127 " (cutoff:3.500A) Processing helix chain 'D' and resid 141 through 149 removed outlier: 3.795A pdb=" N GLU D 145 " --> pdb=" O ARG D 141 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N SER D 146 " --> pdb=" O SER D 142 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N SER D 148 " --> pdb=" O PHE D 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLY D 149 " --> pdb=" O GLU D 145 " (cutoff:3.500A) Processing helix chain 'F' and resid 8 through 14 Processing helix chain 'F' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEU F 26 " --> pdb=" O GLU F 22 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N THR F 28 " --> pdb=" O ILE F 24 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ASN F 29 " --> pdb=" O ASN F 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLY F 32 " --> pdb=" O THR F 28 " (cutoff:3.500A) Processing helix chain 'F' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARG F 46 " --> pdb=" O THR F 42 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N PHE F 48 " --> pdb=" O VAL F 44 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLU F 50 " --> pdb=" O ARG F 46 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N VAL F 51 " --> pdb=" O GLN F 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRP F 52 " --> pdb=" O PHE F 48 " (cutoff:3.500A) Processing helix chain 'F' and resid 76 through 82 Processing helix chain 'F' and resid 82 through 87 Processing helix chain 'F' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL F 96 " --> pdb=" O ARG F 92 " (cutoff:3.500A) Processing helix chain 'F' and resid 103 through 109 removed outlier: 4.299A pdb=" N THR F 107 " --> pdb=" O THR F 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASP F 109 " --> pdb=" O ALA F 105 " (cutoff:3.500A) Processing helix chain 'F' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARG F 113 " --> pdb=" O ASP F 109 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N ALA F 117 " --> pdb=" O ARG F 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR F 118 " --> pdb=" O VAL F 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VAL F 119 " --> pdb=" O ASP F 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN F 126 " --> pdb=" O ARG F 122 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEU F 128 " --> pdb=" O ALA F 124 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N GLU F 131 " --> pdb=" O ASN F 127 " (cutoff:3.500A) Processing helix chain 'F' and resid 141 through 149 removed outlier: 3.796A pdb=" N GLU F 145 " --> pdb=" O ARG F 141 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N SER F 146 " --> pdb=" O SER F 142 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N SER F 148 " --> pdb=" O PHE F 144 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N GLY F 149 " --> pdb=" O GLU F 145 " (cutoff:3.500A) Processing helix chain 'H' and resid 8 through 14 Processing helix chain 'H' and resid 19 through 32 removed outlier: 4.155A pdb=" N LEU H 26 " --> pdb=" O GLU H 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THR H 28 " --> pdb=" O ILE H 24 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ASN H 29 " --> pdb=" O ASN H 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLY H 32 " --> pdb=" O THR H 28 " (cutoff:3.500A) Processing helix chain 'H' and resid 37 through 52 removed outlier: 4.116A pdb=" N ARG H 46 " --> pdb=" O THR H 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHE H 48 " --> pdb=" O VAL H 44 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLU H 50 " --> pdb=" O ARG H 46 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N VAL H 51 " --> pdb=" O GLN H 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRP H 52 " --> pdb=" O PHE H 48 " (cutoff:3.500A) Processing helix chain 'H' and resid 76 through 82 Processing helix chain 'H' and resid 82 through 87 Processing helix chain 'H' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL H 96 " --> pdb=" O ARG H 92 " (cutoff:3.500A) Processing helix chain 'H' and resid 103 through 109 removed outlier: 4.299A pdb=" N THR H 107 " --> pdb=" O THR H 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASP H 109 " --> pdb=" O ALA H 105 " (cutoff:3.500A) Processing helix chain 'H' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARG H 113 " --> pdb=" O ASP H 109 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N ALA H 117 " --> pdb=" O ARG H 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR H 118 " --> pdb=" O VAL H 114 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N VAL H 119 " --> pdb=" O ASP H 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN H 126 " --> pdb=" O ARG H 122 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEU H 128 " --> pdb=" O ALA H 124 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N GLU H 131 " --> pdb=" O ASN H 127 " (cutoff:3.500A) Processing helix chain 'H' and resid 141 through 149 removed outlier: 3.796A pdb=" N GLU H 145 " --> pdb=" O ARG H 141 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N SER H 146 " --> pdb=" O SER H 142 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N SER H 148 " --> pdb=" O PHE H 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLY H 149 " --> pdb=" O GLU H 145 " (cutoff:3.500A) Processing helix chain 'J' and resid 8 through 14 Processing helix chain 'J' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEU J 26 " --> pdb=" O GLU J 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THR J 28 " --> pdb=" O ILE J 24 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ASN J 29 " --> pdb=" O ASN J 25 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N GLY J 32 " --> pdb=" O THR J 28 " (cutoff:3.500A) Processing helix chain 'J' and resid 37 through 52 removed outlier: 4.116A pdb=" N ARG J 46 " --> pdb=" O THR J 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHE J 48 " --> pdb=" O VAL J 44 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLU J 50 " --> pdb=" O ARG J 46 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VAL J 51 " --> pdb=" O GLN J 47 " (cutoff:3.500A) removed outlier: 4.808A pdb=" N TRP J 52 " --> pdb=" O PHE J 48 " (cutoff:3.500A) Processing helix chain 'J' and resid 76 through 82 Processing helix chain 'J' and resid 82 through 87 Processing helix chain 'J' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL J 96 " --> pdb=" O ARG J 92 " (cutoff:3.500A) Processing helix chain 'J' and resid 103 through 109 removed outlier: 4.299A pdb=" N THR J 107 " --> pdb=" O THR J 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASP J 109 " --> pdb=" O ALA J 105 " (cutoff:3.500A) Processing helix chain 'J' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARG J 113 " --> pdb=" O ASP J 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALA J 117 " --> pdb=" O ARG J 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR J 118 " --> pdb=" O VAL J 114 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N VAL J 119 " --> pdb=" O ASP J 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN J 126 " --> pdb=" O ARG J 122 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEU J 128 " --> pdb=" O ALA J 124 " (cutoff:3.500A) removed outlier: 4.398A pdb=" N GLU J 131 " --> pdb=" O ASN J 127 " (cutoff:3.500A) Processing helix chain 'J' and resid 141 through 149 removed outlier: 3.795A pdb=" N GLU J 145 " --> pdb=" O ARG J 141 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N SER J 146 " --> pdb=" O SER J 142 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N SER J 148 " --> pdb=" O PHE J 144 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N GLY J 149 " --> pdb=" O GLU J 145 " (cutoff:3.500A) Processing helix chain 'L' and resid 8 through 14 Processing helix chain 'L' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEU L 26 " --> pdb=" O GLU L 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THR L 28 " --> pdb=" O ILE L 24 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASN L 29 " --> pdb=" O ASN L 25 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N GLY L 32 " --> pdb=" O THR L 28 " (cutoff:3.500A) Processing helix chain 'L' and resid 37 through 52 removed outlier: 4.116A pdb=" N ARG L 46 " --> pdb=" O THR L 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHE L 48 " --> pdb=" O VAL L 44 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLU L 50 " --> pdb=" O ARG L 46 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VAL L 51 " --> pdb=" O GLN L 47 " (cutoff:3.500A) removed outlier: 4.806A pdb=" N TRP L 52 " --> pdb=" O PHE L 48 " (cutoff:3.500A) Processing helix chain 'L' and resid 76 through 82 Processing helix chain 'L' and resid 82 through 87 Processing helix chain 'L' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL L 96 " --> pdb=" O ARG L 92 " (cutoff:3.500A) Processing helix chain 'L' and resid 103 through 109 removed outlier: 4.298A pdb=" N THR L 107 " --> pdb=" O THR L 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASP L 109 " --> pdb=" O ALA L 105 " (cutoff:3.500A) Processing helix chain 'L' and resid 109 through 131 removed outlier: 3.674A pdb=" N ARG L 113 " --> pdb=" O ASP L 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALA L 117 " --> pdb=" O ARG L 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR L 118 " --> pdb=" O VAL L 114 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N VAL L 119 " --> pdb=" O ASP L 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN L 126 " --> pdb=" O ARG L 122 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEU L 128 " --> pdb=" O ALA L 124 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N GLU L 131 " --> pdb=" O ASN L 127 " (cutoff:3.500A) Processing helix chain 'L' and resid 141 through 149 removed outlier: 3.795A pdb=" N GLU L 145 " --> pdb=" O ARG L 141 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N SER L 146 " --> pdb=" O SER L 142 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N SER L 148 " --> pdb=" O PHE L 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLY L 149 " --> pdb=" O GLU L 145 " (cutoff:3.500A) Processing helix chain 'N' and resid 8 through 14 Processing helix chain 'N' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEU N 26 " --> pdb=" O GLU N 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THR N 28 " --> pdb=" O ILE N 24 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASN N 29 " --> pdb=" O ASN N 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLY N 32 " --> pdb=" O THR N 28 " (cutoff:3.500A) Processing helix chain 'N' and resid 37 through 52 removed outlier: 4.116A pdb=" N ARG N 46 " --> pdb=" O THR N 42 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N PHE N 48 " --> pdb=" O VAL N 44 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLU N 50 " --> pdb=" O ARG N 46 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N VAL N 51 " --> pdb=" O GLN N 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRP N 52 " --> pdb=" O PHE N 48 " (cutoff:3.500A) Processing helix chain 'N' and resid 76 through 82 Processing helix chain 'N' and resid 82 through 87 Processing helix chain 'N' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL N 96 " --> pdb=" O ARG N 92 " (cutoff:3.500A) Processing helix chain 'N' and resid 103 through 109 removed outlier: 4.299A pdb=" N THR N 107 " --> pdb=" O THR N 103 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ASP N 109 " --> pdb=" O ALA N 105 " (cutoff:3.500A) Processing helix chain 'N' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARG N 113 " --> pdb=" O ASP N 109 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N ALA N 117 " --> pdb=" O ARG N 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR N 118 " --> pdb=" O VAL N 114 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N VAL N 119 " --> pdb=" O ASP N 115 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N ASN N 126 " --> pdb=" O ARG N 122 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEU N 128 " --> pdb=" O ALA N 124 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N GLU N 131 " --> pdb=" O ASN N 127 " (cutoff:3.500A) Processing helix chain 'N' and resid 141 through 149 removed outlier: 3.795A pdb=" N GLU N 145 " --> pdb=" O ARG N 141 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N SER N 146 " --> pdb=" O SER N 142 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N SER N 148 " --> pdb=" O PHE N 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLY N 149 " --> pdb=" O GLU N 145 " (cutoff:3.500A) Processing helix chain 'P' and resid 8 through 14 Processing helix chain 'P' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEU P 26 " --> pdb=" O GLU P 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THR P 28 " --> pdb=" O ILE P 24 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASN P 29 " --> pdb=" O ASN P 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLY P 32 " --> pdb=" O THR P 28 " (cutoff:3.500A) Processing helix chain 'P' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARG P 46 " --> pdb=" O THR P 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHE P 48 " --> pdb=" O VAL P 44 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLU P 50 " --> pdb=" O ARG P 46 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VAL P 51 " --> pdb=" O GLN P 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRP P 52 " --> pdb=" O PHE P 48 " (cutoff:3.500A) Processing helix chain 'P' and resid 76 through 82 Processing helix chain 'P' and resid 82 through 87 Processing helix chain 'P' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL P 96 " --> pdb=" O ARG P 92 " (cutoff:3.500A) Processing helix chain 'P' and resid 103 through 109 removed outlier: 4.299A pdb=" N THR P 107 " --> pdb=" O THR P 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASP P 109 " --> pdb=" O ALA P 105 " (cutoff:3.500A) Processing helix chain 'P' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARG P 113 " --> pdb=" O ASP P 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALA P 117 " --> pdb=" O ARG P 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR P 118 " --> pdb=" O VAL P 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VAL P 119 " --> pdb=" O ASP P 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN P 126 " --> pdb=" O ARG P 122 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEU P 128 " --> pdb=" O ALA P 124 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N GLU P 131 " --> pdb=" O ASN P 127 " (cutoff:3.500A) Processing helix chain 'P' and resid 141 through 149 removed outlier: 3.795A pdb=" N GLU P 145 " --> pdb=" O ARG P 141 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N SER P 146 " --> pdb=" O SER P 142 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N SER P 148 " --> pdb=" O PHE P 144 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N GLY P 149 " --> pdb=" O GLU P 145 " (cutoff:3.500A) Processing helix chain 'S' and resid 8 through 14 Processing helix chain 'S' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEU S 26 " --> pdb=" O GLU S 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THR S 28 " --> pdb=" O ILE S 24 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASN S 29 " --> pdb=" O ASN S 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLY S 32 " --> pdb=" O THR S 28 " (cutoff:3.500A) Processing helix chain 'S' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARG S 46 " --> pdb=" O THR S 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHE S 48 " --> pdb=" O VAL S 44 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLU S 50 " --> pdb=" O ARG S 46 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N VAL S 51 " --> pdb=" O GLN S 47 " (cutoff:3.500A) removed outlier: 4.808A pdb=" N TRP S 52 " --> pdb=" O PHE S 48 " (cutoff:3.500A) Processing helix chain 'S' and resid 76 through 82 Processing helix chain 'S' and resid 82 through 87 Processing helix chain 'S' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL S 96 " --> pdb=" O ARG S 92 " (cutoff:3.500A) Processing helix chain 'S' and resid 103 through 109 removed outlier: 4.298A pdb=" N THR S 107 " --> pdb=" O THR S 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASP S 109 " --> pdb=" O ALA S 105 " (cutoff:3.500A) Processing helix chain 'S' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARG S 113 " --> pdb=" O ASP S 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALA S 117 " --> pdb=" O ARG S 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR S 118 " --> pdb=" O VAL S 114 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N VAL S 119 " --> pdb=" O ASP S 115 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ASN S 126 " --> pdb=" O ARG S 122 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEU S 128 " --> pdb=" O ALA S 124 " (cutoff:3.500A) removed outlier: 4.398A pdb=" N GLU S 131 " --> pdb=" O ASN S 127 " (cutoff:3.500A) Processing helix chain 'S' and resid 141 through 149 removed outlier: 3.796A pdb=" N GLU S 145 " --> pdb=" O ARG S 141 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N SER S 146 " --> pdb=" O SER S 142 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N SER S 148 " --> pdb=" O PHE S 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLY S 149 " --> pdb=" O GLU S 145 " (cutoff:3.500A) Processing helix chain 'U' and resid 8 through 14 Processing helix chain 'U' and resid 19 through 32 removed outlier: 4.155A pdb=" N LEU U 26 " --> pdb=" O GLU U 22 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N THR U 28 " --> pdb=" O ILE U 24 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ASN U 29 " --> pdb=" O ASN U 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLY U 32 " --> pdb=" O THR U 28 " (cutoff:3.500A) Processing helix chain 'U' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARG U 46 " --> pdb=" O THR U 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHE U 48 " --> pdb=" O VAL U 44 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLU U 50 " --> pdb=" O ARG U 46 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N VAL U 51 " --> pdb=" O GLN U 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRP U 52 " --> pdb=" O PHE U 48 " (cutoff:3.500A) Processing helix chain 'U' and resid 76 through 82 Processing helix chain 'U' and resid 82 through 87 Processing helix chain 'U' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL U 96 " --> pdb=" O ARG U 92 " (cutoff:3.500A) Processing helix chain 'U' and resid 103 through 109 removed outlier: 4.299A pdb=" N THR U 107 " --> pdb=" O THR U 103 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ASP U 109 " --> pdb=" O ALA U 105 " (cutoff:3.500A) Processing helix chain 'U' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARG U 113 " --> pdb=" O ASP U 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALA U 117 " --> pdb=" O ARG U 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR U 118 " --> pdb=" O VAL U 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VAL U 119 " --> pdb=" O ASP U 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN U 126 " --> pdb=" O ARG U 122 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEU U 128 " --> pdb=" O ALA U 124 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N GLU U 131 " --> pdb=" O ASN U 127 " (cutoff:3.500A) Processing helix chain 'U' and resid 141 through 149 removed outlier: 3.795A pdb=" N GLU U 145 " --> pdb=" O ARG U 141 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N SER U 146 " --> pdb=" O SER U 142 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N SER U 148 " --> pdb=" O PHE U 144 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N GLY U 149 " --> pdb=" O GLU U 145 " (cutoff:3.500A) Processing helix chain 'W' and resid 8 through 14 Processing helix chain 'W' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEU W 26 " --> pdb=" O GLU W 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THR W 28 " --> pdb=" O ILE W 24 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ASN W 29 " --> pdb=" O ASN W 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLY W 32 " --> pdb=" O THR W 28 " (cutoff:3.500A) Processing helix chain 'W' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARG W 46 " --> pdb=" O THR W 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHE W 48 " --> pdb=" O VAL W 44 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLU W 50 " --> pdb=" O ARG W 46 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VAL W 51 " --> pdb=" O GLN W 47 " (cutoff:3.500A) removed outlier: 4.808A pdb=" N TRP W 52 " --> pdb=" O PHE W 48 " (cutoff:3.500A) Processing helix chain 'W' and resid 76 through 82 Processing helix chain 'W' and resid 82 through 87 Processing helix chain 'W' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL W 96 " --> pdb=" O ARG W 92 " (cutoff:3.500A) Processing helix chain 'W' and resid 103 through 109 removed outlier: 4.299A pdb=" N THR W 107 " --> pdb=" O THR W 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASP W 109 " --> pdb=" O ALA W 105 " (cutoff:3.500A) Processing helix chain 'W' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARG W 113 " --> pdb=" O ASP W 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALA W 117 " --> pdb=" O ARG W 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR W 118 " --> pdb=" O VAL W 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VAL W 119 " --> pdb=" O ASP W 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN W 126 " --> pdb=" O ARG W 122 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEU W 128 " --> pdb=" O ALA W 124 " (cutoff:3.500A) removed outlier: 4.398A pdb=" N GLU W 131 " --> pdb=" O ASN W 127 " (cutoff:3.500A) Processing helix chain 'W' and resid 141 through 149 removed outlier: 3.795A pdb=" N GLU W 145 " --> pdb=" O ARG W 141 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N SER W 146 " --> pdb=" O SER W 142 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N SER W 148 " --> pdb=" O PHE W 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLY W 149 " --> pdb=" O GLU W 145 " (cutoff:3.500A) Processing helix chain 'Y' and resid 8 through 14 Processing helix chain 'Y' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEU Y 26 " --> pdb=" O GLU Y 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THR Y 28 " --> pdb=" O ILE Y 24 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ASN Y 29 " --> pdb=" O ASN Y 25 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N GLY Y 32 " --> pdb=" O THR Y 28 " (cutoff:3.500A) Processing helix chain 'Y' and resid 37 through 52 removed outlier: 4.116A pdb=" N ARG Y 46 " --> pdb=" O THR Y 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHE Y 48 " --> pdb=" O VAL Y 44 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLU Y 50 " --> pdb=" O ARG Y 46 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N VAL Y 51 " --> pdb=" O GLN Y 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRP Y 52 " --> pdb=" O PHE Y 48 " (cutoff:3.500A) Processing helix chain 'Y' and resid 76 through 82 Processing helix chain 'Y' and resid 82 through 87 Processing helix chain 'Y' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL Y 96 " --> pdb=" O ARG Y 92 " (cutoff:3.500A) Processing helix chain 'Y' and resid 103 through 109 removed outlier: 4.299A pdb=" N THR Y 107 " --> pdb=" O THR Y 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASP Y 109 " --> pdb=" O ALA Y 105 " (cutoff:3.500A) Processing helix chain 'Y' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARG Y 113 " --> pdb=" O ASP Y 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALA Y 117 " --> pdb=" O ARG Y 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR Y 118 " --> pdb=" O VAL Y 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VAL Y 119 " --> pdb=" O ASP Y 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN Y 126 " --> pdb=" O ARG Y 122 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEU Y 128 " --> pdb=" O ALA Y 124 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N GLU Y 131 " --> pdb=" O ASN Y 127 " (cutoff:3.500A) Processing helix chain 'Y' and resid 141 through 149 removed outlier: 3.796A pdb=" N GLU Y 145 " --> pdb=" O ARG Y 141 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N SER Y 146 " --> pdb=" O SER Y 142 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N SER Y 148 " --> pdb=" O PHE Y 144 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N GLY Y 149 " --> pdb=" O GLU Y 145 " (cutoff:3.500A) Processing helix chain '0' and resid 8 through 14 Processing helix chain '0' and resid 19 through 32 removed outlier: 4.153A pdb=" N LEU 0 26 " --> pdb=" O GLU 0 22 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N THR 0 28 " --> pdb=" O ILE 0 24 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASN 0 29 " --> pdb=" O ASN 0 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLY 0 32 " --> pdb=" O THR 0 28 " (cutoff:3.500A) Processing helix chain '0' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARG 0 46 " --> pdb=" O THR 0 42 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N PHE 0 48 " --> pdb=" O VAL 0 44 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLU 0 50 " --> pdb=" O ARG 0 46 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VAL 0 51 " --> pdb=" O GLN 0 47 " (cutoff:3.500A) removed outlier: 4.806A pdb=" N TRP 0 52 " --> pdb=" O PHE 0 48 " (cutoff:3.500A) Processing helix chain '0' and resid 76 through 82 Processing helix chain '0' and resid 82 through 87 Processing helix chain '0' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL 0 96 " --> pdb=" O ARG 0 92 " (cutoff:3.500A) Processing helix chain '0' and resid 103 through 109 removed outlier: 4.298A pdb=" N THR 0 107 " --> pdb=" O THR 0 103 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ASP 0 109 " --> pdb=" O ALA 0 105 " (cutoff:3.500A) Processing helix chain '0' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARG 0 113 " --> pdb=" O ASP 0 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALA 0 117 " --> pdb=" O ARG 0 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR 0 118 " --> pdb=" O VAL 0 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VAL 0 119 " --> pdb=" O ASP 0 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN 0 126 " --> pdb=" O ARG 0 122 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEU 0 128 " --> pdb=" O ALA 0 124 " (cutoff:3.500A) removed outlier: 4.398A pdb=" N GLU 0 131 " --> pdb=" O ASN 0 127 " (cutoff:3.500A) Processing helix chain '0' and resid 141 through 149 removed outlier: 3.795A pdb=" N GLU 0 145 " --> pdb=" O ARG 0 141 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N SER 0 146 " --> pdb=" O SER 0 142 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N SER 0 148 " --> pdb=" O PHE 0 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLY 0 149 " --> pdb=" O GLU 0 145 " (cutoff:3.500A) Processing helix chain '2' and resid 8 through 14 Processing helix chain '2' and resid 19 through 32 removed outlier: 4.155A pdb=" N LEU 2 26 " --> pdb=" O GLU 2 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THR 2 28 " --> pdb=" O ILE 2 24 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ASN 2 29 " --> pdb=" O ASN 2 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLY 2 32 " --> pdb=" O THR 2 28 " (cutoff:3.500A) Processing helix chain '2' and resid 37 through 52 removed outlier: 4.116A pdb=" N ARG 2 46 " --> pdb=" O THR 2 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHE 2 48 " --> pdb=" O VAL 2 44 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLU 2 50 " --> pdb=" O ARG 2 46 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N VAL 2 51 " --> pdb=" O GLN 2 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRP 2 52 " --> pdb=" O PHE 2 48 " (cutoff:3.500A) Processing helix chain '2' and resid 76 through 82 Processing helix chain '2' and resid 82 through 87 Processing helix chain '2' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL 2 96 " --> pdb=" O ARG 2 92 " (cutoff:3.500A) Processing helix chain '2' and resid 103 through 109 removed outlier: 4.298A pdb=" N THR 2 107 " --> pdb=" O THR 2 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASP 2 109 " --> pdb=" O ALA 2 105 " (cutoff:3.500A) Processing helix chain '2' and resid 109 through 131 removed outlier: 3.674A pdb=" N ARG 2 113 " --> pdb=" O ASP 2 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALA 2 117 " --> pdb=" O ARG 2 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR 2 118 " --> pdb=" O VAL 2 114 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N VAL 2 119 " --> pdb=" O ASP 2 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN 2 126 " --> pdb=" O ARG 2 122 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEU 2 128 " --> pdb=" O ALA 2 124 " (cutoff:3.500A) removed outlier: 4.398A pdb=" N GLU 2 131 " --> pdb=" O ASN 2 127 " (cutoff:3.500A) Processing helix chain '2' and resid 141 through 149 removed outlier: 3.796A pdb=" N GLU 2 145 " --> pdb=" O ARG 2 141 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N SER 2 146 " --> pdb=" O SER 2 142 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N SER 2 148 " --> pdb=" O PHE 2 144 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N GLY 2 149 " --> pdb=" O GLU 2 145 " (cutoff:3.500A) Processing helix chain '4' and resid 8 through 14 Processing helix chain '4' and resid 19 through 32 removed outlier: 4.153A pdb=" N LEU 4 26 " --> pdb=" O GLU 4 22 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N THR 4 28 " --> pdb=" O ILE 4 24 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ASN 4 29 " --> pdb=" O ASN 4 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLY 4 32 " --> pdb=" O THR 4 28 " (cutoff:3.500A) Processing helix chain '4' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARG 4 46 " --> pdb=" O THR 4 42 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N PHE 4 48 " --> pdb=" O VAL 4 44 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLU 4 50 " --> pdb=" O ARG 4 46 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VAL 4 51 " --> pdb=" O GLN 4 47 " (cutoff:3.500A) removed outlier: 4.808A pdb=" N TRP 4 52 " --> pdb=" O PHE 4 48 " (cutoff:3.500A) Processing helix chain '4' and resid 76 through 82 Processing helix chain '4' and resid 82 through 87 Processing helix chain '4' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL 4 96 " --> pdb=" O ARG 4 92 " (cutoff:3.500A) Processing helix chain '4' and resid 103 through 109 removed outlier: 4.299A pdb=" N THR 4 107 " --> pdb=" O THR 4 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASP 4 109 " --> pdb=" O ALA 4 105 " (cutoff:3.500A) Processing helix chain '4' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARG 4 113 " --> pdb=" O ASP 4 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALA 4 117 " --> pdb=" O ARG 4 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR 4 118 " --> pdb=" O VAL 4 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VAL 4 119 " --> pdb=" O ASP 4 115 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N ASN 4 126 " --> pdb=" O ARG 4 122 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEU 4 128 " --> pdb=" O ALA 4 124 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N GLU 4 131 " --> pdb=" O ASN 4 127 " (cutoff:3.500A) Processing helix chain '4' and resid 141 through 149 removed outlier: 3.796A pdb=" N GLU 4 145 " --> pdb=" O ARG 4 141 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N SER 4 146 " --> pdb=" O SER 4 142 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N SER 4 148 " --> pdb=" O PHE 4 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLY 4 149 " --> pdb=" O GLU 4 145 " (cutoff:3.500A) Processing helix chain '6' and resid 8 through 14 Processing helix chain '6' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEU 6 26 " --> pdb=" O GLU 6 22 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N THR 6 28 " --> pdb=" O ILE 6 24 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASN 6 29 " --> pdb=" O ASN 6 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLY 6 32 " --> pdb=" O THR 6 28 " (cutoff:3.500A) Processing helix chain '6' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARG 6 46 " --> pdb=" O THR 6 42 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N PHE 6 48 " --> pdb=" O VAL 6 44 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLU 6 50 " --> pdb=" O ARG 6 46 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VAL 6 51 " --> pdb=" O GLN 6 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRP 6 52 " --> pdb=" O PHE 6 48 " (cutoff:3.500A) Processing helix chain '6' and resid 76 through 82 Processing helix chain '6' and resid 82 through 87 Processing helix chain '6' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL 6 96 " --> pdb=" O ARG 6 92 " (cutoff:3.500A) Processing helix chain '6' and resid 103 through 109 removed outlier: 4.299A pdb=" N THR 6 107 " --> pdb=" O THR 6 103 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ASP 6 109 " --> pdb=" O ALA 6 105 " (cutoff:3.500A) Processing helix chain '6' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARG 6 113 " --> pdb=" O ASP 6 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALA 6 117 " --> pdb=" O ARG 6 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR 6 118 " --> pdb=" O VAL 6 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VAL 6 119 " --> pdb=" O ASP 6 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN 6 126 " --> pdb=" O ARG 6 122 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEU 6 128 " --> pdb=" O ALA 6 124 " (cutoff:3.500A) removed outlier: 4.398A pdb=" N GLU 6 131 " --> pdb=" O ASN 6 127 " (cutoff:3.500A) Processing helix chain '6' and resid 141 through 149 removed outlier: 3.795A pdb=" N GLU 6 145 " --> pdb=" O ARG 6 141 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N SER 6 146 " --> pdb=" O SER 6 142 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N SER 6 148 " --> pdb=" O PHE 6 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLY 6 149 " --> pdb=" O GLU 6 145 " (cutoff:3.500A) Processing helix chain '8' and resid 8 through 14 Processing helix chain '8' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEU 8 26 " --> pdb=" O GLU 8 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THR 8 28 " --> pdb=" O ILE 8 24 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ASN 8 29 " --> pdb=" O ASN 8 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLY 8 32 " --> pdb=" O THR 8 28 " (cutoff:3.500A) Processing helix chain '8' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARG 8 46 " --> pdb=" O THR 8 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHE 8 48 " --> pdb=" O VAL 8 44 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLU 8 50 " --> pdb=" O ARG 8 46 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VAL 8 51 " --> pdb=" O GLN 8 47 " (cutoff:3.500A) removed outlier: 4.808A pdb=" N TRP 8 52 " --> pdb=" O PHE 8 48 " (cutoff:3.500A) Processing helix chain '8' and resid 76 through 82 Processing helix chain '8' and resid 82 through 87 Processing helix chain '8' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL 8 96 " --> pdb=" O ARG 8 92 " (cutoff:3.500A) Processing helix chain '8' and resid 103 through 109 removed outlier: 4.299A pdb=" N THR 8 107 " --> pdb=" O THR 8 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASP 8 109 " --> pdb=" O ALA 8 105 " (cutoff:3.500A) Processing helix chain '8' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARG 8 113 " --> pdb=" O ASP 8 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALA 8 117 " --> pdb=" O ARG 8 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR 8 118 " --> pdb=" O VAL 8 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VAL 8 119 " --> pdb=" O ASP 8 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN 8 126 " --> pdb=" O ARG 8 122 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEU 8 128 " --> pdb=" O ALA 8 124 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N GLU 8 131 " --> pdb=" O ASN 8 127 " (cutoff:3.500A) Processing helix chain '8' and resid 141 through 149 removed outlier: 3.795A pdb=" N GLU 8 145 " --> pdb=" O ARG 8 141 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N SER 8 146 " --> pdb=" O SER 8 142 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N SER 8 148 " --> pdb=" O PHE 8 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLY 8 149 " --> pdb=" O GLU 8 145 " (cutoff:3.500A) Processing helix chain 'a' and resid 8 through 14 Processing helix chain 'a' and resid 19 through 32 removed outlier: 4.155A pdb=" N LEU a 26 " --> pdb=" O GLU a 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THR a 28 " --> pdb=" O ILE a 24 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ASN a 29 " --> pdb=" O ASN a 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLY a 32 " --> pdb=" O THR a 28 " (cutoff:3.500A) Processing helix chain 'a' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARG a 46 " --> pdb=" O THR a 42 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N PHE a 48 " --> pdb=" O VAL a 44 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLU a 50 " --> pdb=" O ARG a 46 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VAL a 51 " --> pdb=" O GLN a 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRP a 52 " --> pdb=" O PHE a 48 " (cutoff:3.500A) Processing helix chain 'a' and resid 76 through 82 Processing helix chain 'a' and resid 82 through 87 Processing helix chain 'a' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL a 96 " --> pdb=" O ARG a 92 " (cutoff:3.500A) Processing helix chain 'a' and resid 103 through 109 removed outlier: 4.298A pdb=" N THR a 107 " --> pdb=" O THR a 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASP a 109 " --> pdb=" O ALA a 105 " (cutoff:3.500A) Processing helix chain 'a' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARG a 113 " --> pdb=" O ASP a 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALA a 117 " --> pdb=" O ARG a 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR a 118 " --> pdb=" O VAL a 114 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N VAL a 119 " --> pdb=" O ASP a 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN a 126 " --> pdb=" O ARG a 122 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEU a 128 " --> pdb=" O ALA a 124 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N GLU a 131 " --> pdb=" O ASN a 127 " (cutoff:3.500A) Processing helix chain 'a' and resid 141 through 149 removed outlier: 3.796A pdb=" N GLU a 145 " --> pdb=" O ARG a 141 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N SER a 146 " --> pdb=" O SER a 142 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N SER a 148 " --> pdb=" O PHE a 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLY a 149 " --> pdb=" O GLU a 145 " (cutoff:3.500A) Processing helix chain 'c' and resid 8 through 14 Processing helix chain 'c' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEU c 26 " --> pdb=" O GLU c 22 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N THR c 28 " --> pdb=" O ILE c 24 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASN c 29 " --> pdb=" O ASN c 25 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N GLY c 32 " --> pdb=" O THR c 28 " (cutoff:3.500A) Processing helix chain 'c' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARG c 46 " --> pdb=" O THR c 42 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N PHE c 48 " --> pdb=" O VAL c 44 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLU c 50 " --> pdb=" O ARG c 46 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N VAL c 51 " --> pdb=" O GLN c 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRP c 52 " --> pdb=" O PHE c 48 " (cutoff:3.500A) Processing helix chain 'c' and resid 76 through 82 Processing helix chain 'c' and resid 82 through 87 Processing helix chain 'c' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL c 96 " --> pdb=" O ARG c 92 " (cutoff:3.500A) Processing helix chain 'c' and resid 103 through 109 removed outlier: 4.299A pdb=" N THR c 107 " --> pdb=" O THR c 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASP c 109 " --> pdb=" O ALA c 105 " (cutoff:3.500A) Processing helix chain 'c' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARG c 113 " --> pdb=" O ASP c 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALA c 117 " --> pdb=" O ARG c 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR c 118 " --> pdb=" O VAL c 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VAL c 119 " --> pdb=" O ASP c 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN c 126 " --> pdb=" O ARG c 122 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEU c 128 " --> pdb=" O ALA c 124 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N GLU c 131 " --> pdb=" O ASN c 127 " (cutoff:3.500A) Processing helix chain 'c' and resid 141 through 149 removed outlier: 3.795A pdb=" N GLU c 145 " --> pdb=" O ARG c 141 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N SER c 146 " --> pdb=" O SER c 142 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N SER c 148 " --> pdb=" O PHE c 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLY c 149 " --> pdb=" O GLU c 145 " (cutoff:3.500A) Processing helix chain 'e' and resid 8 through 14 Processing helix chain 'e' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEU e 26 " --> pdb=" O GLU e 22 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N THR e 28 " --> pdb=" O ILE e 24 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASN e 29 " --> pdb=" O ASN e 25 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N GLY e 32 " --> pdb=" O THR e 28 " (cutoff:3.500A) Processing helix chain 'e' and resid 37 through 52 removed outlier: 4.116A pdb=" N ARG e 46 " --> pdb=" O THR e 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHE e 48 " --> pdb=" O VAL e 44 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLU e 50 " --> pdb=" O ARG e 46 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VAL e 51 " --> pdb=" O GLN e 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRP e 52 " --> pdb=" O PHE e 48 " (cutoff:3.500A) Processing helix chain 'e' and resid 76 through 82 Processing helix chain 'e' and resid 82 through 87 Processing helix chain 'e' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL e 96 " --> pdb=" O ARG e 92 " (cutoff:3.500A) Processing helix chain 'e' and resid 103 through 109 removed outlier: 4.299A pdb=" N THR e 107 " --> pdb=" O THR e 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASP e 109 " --> pdb=" O ALA e 105 " (cutoff:3.500A) Processing helix chain 'e' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARG e 113 " --> pdb=" O ASP e 109 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N ALA e 117 " --> pdb=" O ARG e 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR e 118 " --> pdb=" O VAL e 114 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N VAL e 119 " --> pdb=" O ASP e 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN e 126 " --> pdb=" O ARG e 122 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEU e 128 " --> pdb=" O ALA e 124 " (cutoff:3.500A) removed outlier: 4.398A pdb=" N GLU e 131 " --> pdb=" O ASN e 127 " (cutoff:3.500A) Processing helix chain 'e' and resid 141 through 149 removed outlier: 3.796A pdb=" N GLU e 145 " --> pdb=" O ARG e 141 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N SER e 146 " --> pdb=" O SER e 142 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N SER e 148 " --> pdb=" O PHE e 144 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N GLY e 149 " --> pdb=" O GLU e 145 " (cutoff:3.500A) Processing helix chain 'g' and resid 8 through 14 Processing helix chain 'g' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEU g 26 " --> pdb=" O GLU g 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THR g 28 " --> pdb=" O ILE g 24 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ASN g 29 " --> pdb=" O ASN g 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLY g 32 " --> pdb=" O THR g 28 " (cutoff:3.500A) Processing helix chain 'g' and resid 37 through 52 removed outlier: 4.116A pdb=" N ARG g 46 " --> pdb=" O THR g 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHE g 48 " --> pdb=" O VAL g 44 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLU g 50 " --> pdb=" O ARG g 46 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VAL g 51 " --> pdb=" O GLN g 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRP g 52 " --> pdb=" O PHE g 48 " (cutoff:3.500A) Processing helix chain 'g' and resid 76 through 82 Processing helix chain 'g' and resid 82 through 87 Processing helix chain 'g' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL g 96 " --> pdb=" O ARG g 92 " (cutoff:3.500A) Processing helix chain 'g' and resid 103 through 109 removed outlier: 4.298A pdb=" N THR g 107 " --> pdb=" O THR g 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASP g 109 " --> pdb=" O ALA g 105 " (cutoff:3.500A) Processing helix chain 'g' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARG g 113 " --> pdb=" O ASP g 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALA g 117 " --> pdb=" O ARG g 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR g 118 " --> pdb=" O VAL g 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VAL g 119 " --> pdb=" O ASP g 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN g 126 " --> pdb=" O ARG g 122 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEU g 128 " --> pdb=" O ALA g 124 " (cutoff:3.500A) removed outlier: 4.398A pdb=" N GLU g 131 " --> pdb=" O ASN g 127 " (cutoff:3.500A) Processing helix chain 'g' and resid 141 through 149 removed outlier: 3.796A pdb=" N GLU g 145 " --> pdb=" O ARG g 141 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N SER g 146 " --> pdb=" O SER g 142 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N SER g 148 " --> pdb=" O PHE g 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLY g 149 " --> pdb=" O GLU g 145 " (cutoff:3.500A) Processing helix chain 'i' and resid 8 through 14 Processing helix chain 'i' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEU i 26 " --> pdb=" O GLU i 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THR i 28 " --> pdb=" O ILE i 24 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ASN i 29 " --> pdb=" O ASN i 25 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N GLY i 32 " --> pdb=" O THR i 28 " (cutoff:3.500A) Processing helix chain 'i' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARG i 46 " --> pdb=" O THR i 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHE i 48 " --> pdb=" O VAL i 44 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLU i 50 " --> pdb=" O ARG i 46 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N VAL i 51 " --> pdb=" O GLN i 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRP i 52 " --> pdb=" O PHE i 48 " (cutoff:3.500A) Processing helix chain 'i' and resid 76 through 82 Processing helix chain 'i' and resid 82 through 87 Processing helix chain 'i' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL i 96 " --> pdb=" O ARG i 92 " (cutoff:3.500A) Processing helix chain 'i' and resid 103 through 109 removed outlier: 4.299A pdb=" N THR i 107 " --> pdb=" O THR i 103 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ASP i 109 " --> pdb=" O ALA i 105 " (cutoff:3.500A) Processing helix chain 'i' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARG i 113 " --> pdb=" O ASP i 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALA i 117 " --> pdb=" O ARG i 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR i 118 " --> pdb=" O VAL i 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VAL i 119 " --> pdb=" O ASP i 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN i 126 " --> pdb=" O ARG i 122 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEU i 128 " --> pdb=" O ALA i 124 " (cutoff:3.500A) removed outlier: 4.398A pdb=" N GLU i 131 " --> pdb=" O ASN i 127 " (cutoff:3.500A) Processing helix chain 'i' and resid 141 through 149 removed outlier: 3.796A pdb=" N GLU i 145 " --> pdb=" O ARG i 141 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N SER i 146 " --> pdb=" O SER i 142 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N SER i 148 " --> pdb=" O PHE i 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLY i 149 " --> pdb=" O GLU i 145 " (cutoff:3.500A) Processing helix chain 'k' and resid 8 through 14 Processing helix chain 'k' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEU k 26 " --> pdb=" O GLU k 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THR k 28 " --> pdb=" O ILE k 24 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ASN k 29 " --> pdb=" O ASN k 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLY k 32 " --> pdb=" O THR k 28 " (cutoff:3.500A) Processing helix chain 'k' and resid 37 through 52 removed outlier: 4.116A pdb=" N ARG k 46 " --> pdb=" O THR k 42 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N PHE k 48 " --> pdb=" O VAL k 44 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLU k 50 " --> pdb=" O ARG k 46 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N VAL k 51 " --> pdb=" O GLN k 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRP k 52 " --> pdb=" O PHE k 48 " (cutoff:3.500A) Processing helix chain 'k' and resid 76 through 82 Processing helix chain 'k' and resid 82 through 87 Processing helix chain 'k' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL k 96 " --> pdb=" O ARG k 92 " (cutoff:3.500A) Processing helix chain 'k' and resid 103 through 109 removed outlier: 4.298A pdb=" N THR k 107 " --> pdb=" O THR k 103 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ASP k 109 " --> pdb=" O ALA k 105 " (cutoff:3.500A) Processing helix chain 'k' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARG k 113 " --> pdb=" O ASP k 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALA k 117 " --> pdb=" O ARG k 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR k 118 " --> pdb=" O VAL k 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VAL k 119 " --> pdb=" O ASP k 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN k 126 " --> pdb=" O ARG k 122 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEU k 128 " --> pdb=" O ALA k 124 " (cutoff:3.500A) removed outlier: 4.398A pdb=" N GLU k 131 " --> pdb=" O ASN k 127 " (cutoff:3.500A) Processing helix chain 'k' and resid 141 through 149 removed outlier: 3.795A pdb=" N GLU k 145 " --> pdb=" O ARG k 141 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N SER k 146 " --> pdb=" O SER k 142 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N SER k 148 " --> pdb=" O PHE k 144 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N GLY k 149 " --> pdb=" O GLU k 145 " (cutoff:3.500A) Processing helix chain 'm' and resid 8 through 14 Processing helix chain 'm' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEU m 26 " --> pdb=" O GLU m 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THR m 28 " --> pdb=" O ILE m 24 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ASN m 29 " --> pdb=" O ASN m 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLY m 32 " --> pdb=" O THR m 28 " (cutoff:3.500A) Processing helix chain 'm' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARG m 46 " --> pdb=" O THR m 42 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N PHE m 48 " --> pdb=" O VAL m 44 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLU m 50 " --> pdb=" O ARG m 46 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N VAL m 51 " --> pdb=" O GLN m 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRP m 52 " --> pdb=" O PHE m 48 " (cutoff:3.500A) Processing helix chain 'm' and resid 76 through 82 Processing helix chain 'm' and resid 82 through 87 Processing helix chain 'm' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL m 96 " --> pdb=" O ARG m 92 " (cutoff:3.500A) Processing helix chain 'm' and resid 103 through 109 removed outlier: 4.299A pdb=" N THR m 107 " --> pdb=" O THR m 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASP m 109 " --> pdb=" O ALA m 105 " (cutoff:3.500A) Processing helix chain 'm' and resid 109 through 131 removed outlier: 3.674A pdb=" N ARG m 113 " --> pdb=" O ASP m 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALA m 117 " --> pdb=" O ARG m 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR m 118 " --> pdb=" O VAL m 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VAL m 119 " --> pdb=" O ASP m 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN m 126 " --> pdb=" O ARG m 122 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEU m 128 " --> pdb=" O ALA m 124 " (cutoff:3.500A) removed outlier: 4.398A pdb=" N GLU m 131 " --> pdb=" O ASN m 127 " (cutoff:3.500A) Processing helix chain 'm' and resid 141 through 149 removed outlier: 3.795A pdb=" N GLU m 145 " --> pdb=" O ARG m 141 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N SER m 146 " --> pdb=" O SER m 142 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N SER m 148 " --> pdb=" O PHE m 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLY m 149 " --> pdb=" O GLU m 145 " (cutoff:3.500A) Processing helix chain 'o' and resid 8 through 14 Processing helix chain 'o' and resid 19 through 32 removed outlier: 4.155A pdb=" N LEU o 26 " --> pdb=" O GLU o 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THR o 28 " --> pdb=" O ILE o 24 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASN o 29 " --> pdb=" O ASN o 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLY o 32 " --> pdb=" O THR o 28 " (cutoff:3.500A) Processing helix chain 'o' and resid 37 through 52 removed outlier: 4.116A pdb=" N ARG o 46 " --> pdb=" O THR o 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHE o 48 " --> pdb=" O VAL o 44 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLU o 50 " --> pdb=" O ARG o 46 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N VAL o 51 " --> pdb=" O GLN o 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRP o 52 " --> pdb=" O PHE o 48 " (cutoff:3.500A) Processing helix chain 'o' and resid 76 through 82 Processing helix chain 'o' and resid 82 through 87 Processing helix chain 'o' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL o 96 " --> pdb=" O ARG o 92 " (cutoff:3.500A) Processing helix chain 'o' and resid 103 through 109 removed outlier: 4.299A pdb=" N THR o 107 " --> pdb=" O THR o 103 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ASP o 109 " --> pdb=" O ALA o 105 " (cutoff:3.500A) Processing helix chain 'o' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARG o 113 " --> pdb=" O ASP o 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALA o 117 " --> pdb=" O ARG o 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR o 118 " --> pdb=" O VAL o 114 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N VAL o 119 " --> pdb=" O ASP o 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN o 126 " --> pdb=" O ARG o 122 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEU o 128 " --> pdb=" O ALA o 124 " (cutoff:3.500A) removed outlier: 4.398A pdb=" N GLU o 131 " --> pdb=" O ASN o 127 " (cutoff:3.500A) Processing helix chain 'o' and resid 141 through 149 removed outlier: 3.795A pdb=" N GLU o 145 " --> pdb=" O ARG o 141 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N SER o 146 " --> pdb=" O SER o 142 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N SER o 148 " --> pdb=" O PHE o 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLY o 149 " --> pdb=" O GLU o 145 " (cutoff:3.500A) Processing helix chain 'q' and resid 8 through 14 Processing helix chain 'q' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEU q 26 " --> pdb=" O GLU q 22 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N THR q 28 " --> pdb=" O ILE q 24 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ASN q 29 " --> pdb=" O ASN q 25 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N GLY q 32 " --> pdb=" O THR q 28 " (cutoff:3.500A) Processing helix chain 'q' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARG q 46 " --> pdb=" O THR q 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHE q 48 " --> pdb=" O VAL q 44 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLU q 50 " --> pdb=" O ARG q 46 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VAL q 51 " --> pdb=" O GLN q 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRP q 52 " --> pdb=" O PHE q 48 " (cutoff:3.500A) Processing helix chain 'q' and resid 76 through 82 Processing helix chain 'q' and resid 82 through 87 Processing helix chain 'q' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL q 96 " --> pdb=" O ARG q 92 " (cutoff:3.500A) Processing helix chain 'q' and resid 103 through 109 removed outlier: 4.299A pdb=" N THR q 107 " --> pdb=" O THR q 103 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ASP q 109 " --> pdb=" O ALA q 105 " (cutoff:3.500A) Processing helix chain 'q' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARG q 113 " --> pdb=" O ASP q 109 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N ALA q 117 " --> pdb=" O ARG q 113 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N THR q 118 " --> pdb=" O VAL q 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VAL q 119 " --> pdb=" O ASP q 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN q 126 " --> pdb=" O ARG q 122 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEU q 128 " --> pdb=" O ALA q 124 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N GLU q 131 " --> pdb=" O ASN q 127 " (cutoff:3.500A) Processing helix chain 'q' and resid 141 through 149 removed outlier: 3.796A pdb=" N GLU q 145 " --> pdb=" O ARG q 141 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N SER q 146 " --> pdb=" O SER q 142 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N SER q 148 " --> pdb=" O PHE q 144 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N GLY q 149 " --> pdb=" O GLU q 145 " (cutoff:3.500A) Processing helix chain 's' and resid 8 through 14 Processing helix chain 's' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEU s 26 " --> pdb=" O GLU s 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THR s 28 " --> pdb=" O ILE s 24 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASN s 29 " --> pdb=" O ASN s 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLY s 32 " --> pdb=" O THR s 28 " (cutoff:3.500A) Processing helix chain 's' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARG s 46 " --> pdb=" O THR s 42 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N PHE s 48 " --> pdb=" O VAL s 44 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLU s 50 " --> pdb=" O ARG s 46 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N VAL s 51 " --> pdb=" O GLN s 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRP s 52 " --> pdb=" O PHE s 48 " (cutoff:3.500A) Processing helix chain 's' and resid 76 through 82 Processing helix chain 's' and resid 82 through 87 Processing helix chain 's' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL s 96 " --> pdb=" O ARG s 92 " (cutoff:3.500A) Processing helix chain 's' and resid 103 through 109 removed outlier: 4.299A pdb=" N THR s 107 " --> pdb=" O THR s 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASP s 109 " --> pdb=" O ALA s 105 " (cutoff:3.500A) Processing helix chain 's' and resid 109 through 131 removed outlier: 3.674A pdb=" N ARG s 113 " --> pdb=" O ASP s 109 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N ALA s 117 " --> pdb=" O ARG s 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR s 118 " --> pdb=" O VAL s 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VAL s 119 " --> pdb=" O ASP s 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN s 126 " --> pdb=" O ARG s 122 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEU s 128 " --> pdb=" O ALA s 124 " (cutoff:3.500A) removed outlier: 4.398A pdb=" N GLU s 131 " --> pdb=" O ASN s 127 " (cutoff:3.500A) Processing helix chain 's' and resid 141 through 149 removed outlier: 3.796A pdb=" N GLU s 145 " --> pdb=" O ARG s 141 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N SER s 146 " --> pdb=" O SER s 142 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N SER s 148 " --> pdb=" O PHE s 144 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N GLY s 149 " --> pdb=" O GLU s 145 " (cutoff:3.500A) Processing helix chain 'u' and resid 8 through 14 Processing helix chain 'u' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEU u 26 " --> pdb=" O GLU u 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THR u 28 " --> pdb=" O ILE u 24 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ASN u 29 " --> pdb=" O ASN u 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLY u 32 " --> pdb=" O THR u 28 " (cutoff:3.500A) Processing helix chain 'u' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARG u 46 " --> pdb=" O THR u 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHE u 48 " --> pdb=" O VAL u 44 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLU u 50 " --> pdb=" O ARG u 46 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N VAL u 51 " --> pdb=" O GLN u 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRP u 52 " --> pdb=" O PHE u 48 " (cutoff:3.500A) Processing helix chain 'u' and resid 76 through 82 Processing helix chain 'u' and resid 82 through 87 Processing helix chain 'u' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL u 96 " --> pdb=" O ARG u 92 " (cutoff:3.500A) Processing helix chain 'u' and resid 103 through 109 removed outlier: 4.299A pdb=" N THR u 107 " --> pdb=" O THR u 103 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ASP u 109 " --> pdb=" O ALA u 105 " (cutoff:3.500A) Processing helix chain 'u' and resid 109 through 131 removed outlier: 3.674A pdb=" N ARG u 113 " --> pdb=" O ASP u 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALA u 117 " --> pdb=" O ARG u 113 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N THR u 118 " --> pdb=" O VAL u 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VAL u 119 " --> pdb=" O ASP u 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN u 126 " --> pdb=" O ARG u 122 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEU u 128 " --> pdb=" O ALA u 124 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N GLU u 131 " --> pdb=" O ASN u 127 " (cutoff:3.500A) Processing helix chain 'u' and resid 141 through 149 removed outlier: 3.796A pdb=" N GLU u 145 " --> pdb=" O ARG u 141 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N SER u 146 " --> pdb=" O SER u 142 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N SER u 148 " --> pdb=" O PHE u 144 " (cutoff:3.500A) removed outlier: 4.528A pdb=" N GLY u 149 " --> pdb=" O GLU u 145 " (cutoff:3.500A) Processing helix chain 'w' and resid 8 through 14 Processing helix chain 'w' and resid 19 through 32 removed outlier: 4.155A pdb=" N LEU w 26 " --> pdb=" O GLU w 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THR w 28 " --> pdb=" O ILE w 24 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASN w 29 " --> pdb=" O ASN w 25 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N GLY w 32 " --> pdb=" O THR w 28 " (cutoff:3.500A) Processing helix chain 'w' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARG w 46 " --> pdb=" O THR w 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHE w 48 " --> pdb=" O VAL w 44 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLU w 50 " --> pdb=" O ARG w 46 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VAL w 51 " --> pdb=" O GLN w 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRP w 52 " --> pdb=" O PHE w 48 " (cutoff:3.500A) Processing helix chain 'w' and resid 76 through 82 Processing helix chain 'w' and resid 82 through 87 Processing helix chain 'w' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL w 96 " --> pdb=" O ARG w 92 " (cutoff:3.500A) Processing helix chain 'w' and resid 103 through 109 removed outlier: 4.299A pdb=" N THR w 107 " --> pdb=" O THR w 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASP w 109 " --> pdb=" O ALA w 105 " (cutoff:3.500A) Processing helix chain 'w' and resid 109 through 131 removed outlier: 3.674A pdb=" N ARG w 113 " --> pdb=" O ASP w 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALA w 117 " --> pdb=" O ARG w 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR w 118 " --> pdb=" O VAL w 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VAL w 119 " --> pdb=" O ASP w 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN w 126 " --> pdb=" O ARG w 122 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEU w 128 " --> pdb=" O ALA w 124 " (cutoff:3.500A) removed outlier: 4.398A pdb=" N GLU w 131 " --> pdb=" O ASN w 127 " (cutoff:3.500A) Processing helix chain 'w' and resid 141 through 149 removed outlier: 3.796A pdb=" N GLU w 145 " --> pdb=" O ARG w 141 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N SER w 146 " --> pdb=" O SER w 142 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N SER w 148 " --> pdb=" O PHE w 144 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N GLY w 149 " --> pdb=" O GLU w 145 " (cutoff:3.500A) Processing helix chain 'y' and resid 8 through 14 Processing helix chain 'y' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEU y 26 " --> pdb=" O GLU y 22 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N THR y 28 " --> pdb=" O ILE y 24 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ASN y 29 " --> pdb=" O ASN y 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLY y 32 " --> pdb=" O THR y 28 " (cutoff:3.500A) Processing helix chain 'y' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARG y 46 " --> pdb=" O THR y 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHE y 48 " --> pdb=" O VAL y 44 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLU y 50 " --> pdb=" O ARG y 46 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VAL y 51 " --> pdb=" O GLN y 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRP y 52 " --> pdb=" O PHE y 48 " (cutoff:3.500A) Processing helix chain 'y' and resid 76 through 82 Processing helix chain 'y' and resid 82 through 87 Processing helix chain 'y' and resid 92 through 97 removed outlier: 4.220A pdb=" N VAL y 96 " --> pdb=" O ARG y 92 " (cutoff:3.500A) Processing helix chain 'y' and resid 103 through 109 removed outlier: 4.299A pdb=" N THR y 107 " --> pdb=" O THR y 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASP y 109 " --> pdb=" O ALA y 105 " (cutoff:3.500A) Processing helix chain 'y' and resid 109 through 131 removed outlier: 3.674A pdb=" N ARG y 113 " --> pdb=" O ASP y 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALA y 117 " --> pdb=" O ARG y 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THR y 118 " --> pdb=" O VAL y 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VAL y 119 " --> pdb=" O ASP y 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN y 126 " --> pdb=" O ARG y 122 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEU y 128 " --> pdb=" O ALA y 124 " (cutoff:3.500A) removed outlier: 4.398A pdb=" N GLU y 131 " --> pdb=" O ASN y 127 " (cutoff:3.500A) Processing helix chain 'y' and resid 141 through 149 removed outlier: 3.796A pdb=" N GLU y 145 " --> pdb=" O ARG y 141 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N SER y 146 " --> pdb=" O SER y 142 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N SER y 148 " --> pdb=" O PHE y 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLY y 149 " --> pdb=" O GLU y 145 " (cutoff:3.500A) Processing helix chain 'AA' and resid 8 through 14 Processing helix chain 'AA' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEUAA 26 " --> pdb=" O GLUAA 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THRAA 28 " --> pdb=" O ILEAA 24 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASNAA 29 " --> pdb=" O ASNAA 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLYAA 32 " --> pdb=" O THRAA 28 " (cutoff:3.500A) Processing helix chain 'AA' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARGAA 46 " --> pdb=" O THRAA 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHEAA 48 " --> pdb=" O VALAA 44 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLUAA 50 " --> pdb=" O ARGAA 46 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VALAA 51 " --> pdb=" O GLNAA 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRPAA 52 " --> pdb=" O PHEAA 48 " (cutoff:3.500A) Processing helix chain 'AA' and resid 76 through 82 Processing helix chain 'AA' and resid 82 through 87 Processing helix chain 'AA' and resid 92 through 97 removed outlier: 4.220A pdb=" N VALAA 96 " --> pdb=" O ARGAA 92 " (cutoff:3.500A) Processing helix chain 'AA' and resid 103 through 109 removed outlier: 4.299A pdb=" N THRAA 107 " --> pdb=" O THRAA 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASPAA 109 " --> pdb=" O ALAAA 105 " (cutoff:3.500A) Processing helix chain 'AA' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARGAA 113 " --> pdb=" O ASPAA 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALAAA 117 " --> pdb=" O ARGAA 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THRAA 118 " --> pdb=" O VALAA 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VALAA 119 " --> pdb=" O ASPAA 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASNAA 126 " --> pdb=" O ARGAA 122 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEUAA 128 " --> pdb=" O ALAAA 124 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N GLUAA 131 " --> pdb=" O ASNAA 127 " (cutoff:3.500A) Processing helix chain 'AA' and resid 141 through 149 removed outlier: 3.796A pdb=" N GLUAA 145 " --> pdb=" O ARGAA 141 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N SERAA 146 " --> pdb=" O SERAA 142 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N SERAA 148 " --> pdb=" O PHEAA 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLYAA 149 " --> pdb=" O GLUAA 145 " (cutoff:3.500A) Processing helix chain 'AC' and resid 8 through 14 Processing helix chain 'AC' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEUAC 26 " --> pdb=" O GLUAC 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THRAC 28 " --> pdb=" O ILEAC 24 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASNAC 29 " --> pdb=" O ASNAC 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLYAC 32 " --> pdb=" O THRAC 28 " (cutoff:3.500A) Processing helix chain 'AC' and resid 37 through 52 removed outlier: 4.116A pdb=" N ARGAC 46 " --> pdb=" O THRAC 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHEAC 48 " --> pdb=" O VALAC 44 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLUAC 50 " --> pdb=" O ARGAC 46 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VALAC 51 " --> pdb=" O GLNAC 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRPAC 52 " --> pdb=" O PHEAC 48 " (cutoff:3.500A) Processing helix chain 'AC' and resid 76 through 82 Processing helix chain 'AC' and resid 82 through 87 Processing helix chain 'AC' and resid 92 through 97 removed outlier: 4.220A pdb=" N VALAC 96 " --> pdb=" O ARGAC 92 " (cutoff:3.500A) Processing helix chain 'AC' and resid 103 through 109 removed outlier: 4.299A pdb=" N THRAC 107 " --> pdb=" O THRAC 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASPAC 109 " --> pdb=" O ALAAC 105 " (cutoff:3.500A) Processing helix chain 'AC' and resid 109 through 131 removed outlier: 3.674A pdb=" N ARGAC 113 " --> pdb=" O ASPAC 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALAAC 117 " --> pdb=" O ARGAC 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THRAC 118 " --> pdb=" O VALAC 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VALAC 119 " --> pdb=" O ASPAC 115 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N ASNAC 126 " --> pdb=" O ARGAC 122 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEUAC 128 " --> pdb=" O ALAAC 124 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N GLUAC 131 " --> pdb=" O ASNAC 127 " (cutoff:3.500A) Processing helix chain 'AC' and resid 141 through 149 removed outlier: 3.795A pdb=" N GLUAC 145 " --> pdb=" O ARGAC 141 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N SERAC 146 " --> pdb=" O SERAC 142 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N SERAC 148 " --> pdb=" O PHEAC 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLYAC 149 " --> pdb=" O GLUAC 145 " (cutoff:3.500A) Processing helix chain 'AE' and resid 8 through 14 Processing helix chain 'AE' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEUAE 26 " --> pdb=" O GLUAE 22 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N THRAE 28 " --> pdb=" O ILEAE 24 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ASNAE 29 " --> pdb=" O ASNAE 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLYAE 32 " --> pdb=" O THRAE 28 " (cutoff:3.500A) Processing helix chain 'AE' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARGAE 46 " --> pdb=" O THRAE 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHEAE 48 " --> pdb=" O VALAE 44 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLUAE 50 " --> pdb=" O ARGAE 46 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N VALAE 51 " --> pdb=" O GLNAE 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRPAE 52 " --> pdb=" O PHEAE 48 " (cutoff:3.500A) Processing helix chain 'AE' and resid 76 through 82 Processing helix chain 'AE' and resid 82 through 87 Processing helix chain 'AE' and resid 92 through 97 removed outlier: 4.220A pdb=" N VALAE 96 " --> pdb=" O ARGAE 92 " (cutoff:3.500A) Processing helix chain 'AE' and resid 103 through 109 removed outlier: 4.299A pdb=" N THRAE 107 " --> pdb=" O THRAE 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASPAE 109 " --> pdb=" O ALAAE 105 " (cutoff:3.500A) Processing helix chain 'AE' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARGAE 113 " --> pdb=" O ASPAE 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALAAE 117 " --> pdb=" O ARGAE 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THRAE 118 " --> pdb=" O VALAE 114 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N VALAE 119 " --> pdb=" O ASPAE 115 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N ASNAE 126 " --> pdb=" O ARGAE 122 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEUAE 128 " --> pdb=" O ALAAE 124 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N GLUAE 131 " --> pdb=" O ASNAE 127 " (cutoff:3.500A) Processing helix chain 'AE' and resid 141 through 149 removed outlier: 3.795A pdb=" N GLUAE 145 " --> pdb=" O ARGAE 141 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N SERAE 146 " --> pdb=" O SERAE 142 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N SERAE 148 " --> pdb=" O PHEAE 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLYAE 149 " --> pdb=" O GLUAE 145 " (cutoff:3.500A) Processing helix chain 'AG' and resid 8 through 14 Processing helix chain 'AG' and resid 19 through 32 removed outlier: 4.155A pdb=" N LEUAG 26 " --> pdb=" O GLUAG 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THRAG 28 " --> pdb=" O ILEAG 24 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASNAG 29 " --> pdb=" O ASNAG 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLYAG 32 " --> pdb=" O THRAG 28 " (cutoff:3.500A) Processing helix chain 'AG' and resid 37 through 52 removed outlier: 4.116A pdb=" N ARGAG 46 " --> pdb=" O THRAG 42 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N PHEAG 48 " --> pdb=" O VALAG 44 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLUAG 50 " --> pdb=" O ARGAG 46 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VALAG 51 " --> pdb=" O GLNAG 47 " (cutoff:3.500A) removed outlier: 4.808A pdb=" N TRPAG 52 " --> pdb=" O PHEAG 48 " (cutoff:3.500A) Processing helix chain 'AG' and resid 76 through 82 Processing helix chain 'AG' and resid 82 through 87 Processing helix chain 'AG' and resid 92 through 97 removed outlier: 4.220A pdb=" N VALAG 96 " --> pdb=" O ARGAG 92 " (cutoff:3.500A) Processing helix chain 'AG' and resid 103 through 109 removed outlier: 4.299A pdb=" N THRAG 107 " --> pdb=" O THRAG 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASPAG 109 " --> pdb=" O ALAAG 105 " (cutoff:3.500A) Processing helix chain 'AG' and resid 109 through 131 removed outlier: 3.674A pdb=" N ARGAG 113 " --> pdb=" O ASPAG 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALAAG 117 " --> pdb=" O ARGAG 113 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N THRAG 118 " --> pdb=" O VALAG 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VALAG 119 " --> pdb=" O ASPAG 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASNAG 126 " --> pdb=" O ARGAG 122 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEUAG 128 " --> pdb=" O ALAAG 124 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N GLUAG 131 " --> pdb=" O ASNAG 127 " (cutoff:3.500A) Processing helix chain 'AG' and resid 141 through 149 removed outlier: 3.795A pdb=" N GLUAG 145 " --> pdb=" O ARGAG 141 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N SERAG 146 " --> pdb=" O SERAG 142 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N SERAG 148 " --> pdb=" O PHEAG 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLYAG 149 " --> pdb=" O GLUAG 145 " (cutoff:3.500A) Processing helix chain 'AI' and resid 8 through 14 Processing helix chain 'AI' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEUAI 26 " --> pdb=" O GLUAI 22 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N THRAI 28 " --> pdb=" O ILEAI 24 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASNAI 29 " --> pdb=" O ASNAI 25 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N GLYAI 32 " --> pdb=" O THRAI 28 " (cutoff:3.500A) Processing helix chain 'AI' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARGAI 46 " --> pdb=" O THRAI 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHEAI 48 " --> pdb=" O VALAI 44 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLUAI 50 " --> pdb=" O ARGAI 46 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N VALAI 51 " --> pdb=" O GLNAI 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRPAI 52 " --> pdb=" O PHEAI 48 " (cutoff:3.500A) Processing helix chain 'AI' and resid 76 through 82 Processing helix chain 'AI' and resid 82 through 87 Processing helix chain 'AI' and resid 92 through 97 removed outlier: 4.220A pdb=" N VALAI 96 " --> pdb=" O ARGAI 92 " (cutoff:3.500A) Processing helix chain 'AI' and resid 103 through 109 removed outlier: 4.299A pdb=" N THRAI 107 " --> pdb=" O THRAI 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASPAI 109 " --> pdb=" O ALAAI 105 " (cutoff:3.500A) Processing helix chain 'AI' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARGAI 113 " --> pdb=" O ASPAI 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALAAI 117 " --> pdb=" O ARGAI 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THRAI 118 " --> pdb=" O VALAI 114 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N VALAI 119 " --> pdb=" O ASPAI 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASNAI 126 " --> pdb=" O ARGAI 122 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEUAI 128 " --> pdb=" O ALAAI 124 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N GLUAI 131 " --> pdb=" O ASNAI 127 " (cutoff:3.500A) Processing helix chain 'AI' and resid 141 through 149 removed outlier: 3.796A pdb=" N GLUAI 145 " --> pdb=" O ARGAI 141 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N SERAI 146 " --> pdb=" O SERAI 142 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N SERAI 148 " --> pdb=" O PHEAI 144 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N GLYAI 149 " --> pdb=" O GLUAI 145 " (cutoff:3.500A) Processing helix chain 'AK' and resid 8 through 14 Processing helix chain 'AK' and resid 19 through 32 removed outlier: 4.155A pdb=" N LEUAK 26 " --> pdb=" O GLUAK 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THRAK 28 " --> pdb=" O ILEAK 24 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASNAK 29 " --> pdb=" O ASNAK 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLYAK 32 " --> pdb=" O THRAK 28 " (cutoff:3.500A) Processing helix chain 'AK' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARGAK 46 " --> pdb=" O THRAK 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHEAK 48 " --> pdb=" O VALAK 44 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLUAK 50 " --> pdb=" O ARGAK 46 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N VALAK 51 " --> pdb=" O GLNAK 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRPAK 52 " --> pdb=" O PHEAK 48 " (cutoff:3.500A) Processing helix chain 'AK' and resid 76 through 82 Processing helix chain 'AK' and resid 82 through 87 Processing helix chain 'AK' and resid 92 through 97 removed outlier: 4.220A pdb=" N VALAK 96 " --> pdb=" O ARGAK 92 " (cutoff:3.500A) Processing helix chain 'AK' and resid 103 through 109 removed outlier: 4.299A pdb=" N THRAK 107 " --> pdb=" O THRAK 103 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ASPAK 109 " --> pdb=" O ALAAK 105 " (cutoff:3.500A) Processing helix chain 'AK' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARGAK 113 " --> pdb=" O ASPAK 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALAAK 117 " --> pdb=" O ARGAK 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THRAK 118 " --> pdb=" O VALAK 114 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N VALAK 119 " --> pdb=" O ASPAK 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASNAK 126 " --> pdb=" O ARGAK 122 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEUAK 128 " --> pdb=" O ALAAK 124 " (cutoff:3.500A) removed outlier: 4.398A pdb=" N GLUAK 131 " --> pdb=" O ASNAK 127 " (cutoff:3.500A) Processing helix chain 'AK' and resid 141 through 149 removed outlier: 3.795A pdb=" N GLUAK 145 " --> pdb=" O ARGAK 141 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N SERAK 146 " --> pdb=" O SERAK 142 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N SERAK 148 " --> pdb=" O PHEAK 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLYAK 149 " --> pdb=" O GLUAK 145 " (cutoff:3.500A) Processing helix chain 'AM' and resid 8 through 14 Processing helix chain 'AM' and resid 19 through 32 removed outlier: 4.155A pdb=" N LEUAM 26 " --> pdb=" O GLUAM 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THRAM 28 " --> pdb=" O ILEAM 24 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASNAM 29 " --> pdb=" O ASNAM 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLYAM 32 " --> pdb=" O THRAM 28 " (cutoff:3.500A) Processing helix chain 'AM' and resid 37 through 52 removed outlier: 4.116A pdb=" N ARGAM 46 " --> pdb=" O THRAM 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHEAM 48 " --> pdb=" O VALAM 44 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLUAM 50 " --> pdb=" O ARGAM 46 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N VALAM 51 " --> pdb=" O GLNAM 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRPAM 52 " --> pdb=" O PHEAM 48 " (cutoff:3.500A) Processing helix chain 'AM' and resid 76 through 82 Processing helix chain 'AM' and resid 82 through 87 Processing helix chain 'AM' and resid 92 through 97 removed outlier: 4.220A pdb=" N VALAM 96 " --> pdb=" O ARGAM 92 " (cutoff:3.500A) Processing helix chain 'AM' and resid 103 through 109 removed outlier: 4.299A pdb=" N THRAM 107 " --> pdb=" O THRAM 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASPAM 109 " --> pdb=" O ALAAM 105 " (cutoff:3.500A) Processing helix chain 'AM' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARGAM 113 " --> pdb=" O ASPAM 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALAAM 117 " --> pdb=" O ARGAM 113 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N THRAM 118 " --> pdb=" O VALAM 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VALAM 119 " --> pdb=" O ASPAM 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASNAM 126 " --> pdb=" O ARGAM 122 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEUAM 128 " --> pdb=" O ALAAM 124 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N GLUAM 131 " --> pdb=" O ASNAM 127 " (cutoff:3.500A) Processing helix chain 'AM' and resid 141 through 149 removed outlier: 3.795A pdb=" N GLUAM 145 " --> pdb=" O ARGAM 141 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N SERAM 146 " --> pdb=" O SERAM 142 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N SERAM 148 " --> pdb=" O PHEAM 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLYAM 149 " --> pdb=" O GLUAM 145 " (cutoff:3.500A) Processing helix chain 'AO' and resid 8 through 14 Processing helix chain 'AO' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEUAO 26 " --> pdb=" O GLUAO 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THRAO 28 " --> pdb=" O ILEAO 24 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASNAO 29 " --> pdb=" O ASNAO 25 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N GLYAO 32 " --> pdb=" O THRAO 28 " (cutoff:3.500A) Processing helix chain 'AO' and resid 37 through 52 removed outlier: 4.116A pdb=" N ARGAO 46 " --> pdb=" O THRAO 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHEAO 48 " --> pdb=" O VALAO 44 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLUAO 50 " --> pdb=" O ARGAO 46 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N VALAO 51 " --> pdb=" O GLNAO 47 " (cutoff:3.500A) removed outlier: 4.808A pdb=" N TRPAO 52 " --> pdb=" O PHEAO 48 " (cutoff:3.500A) Processing helix chain 'AO' and resid 76 through 82 Processing helix chain 'AO' and resid 82 through 87 Processing helix chain 'AO' and resid 92 through 97 removed outlier: 4.220A pdb=" N VALAO 96 " --> pdb=" O ARGAO 92 " (cutoff:3.500A) Processing helix chain 'AO' and resid 103 through 109 removed outlier: 4.298A pdb=" N THRAO 107 " --> pdb=" O THRAO 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASPAO 109 " --> pdb=" O ALAAO 105 " (cutoff:3.500A) Processing helix chain 'AO' and resid 109 through 131 removed outlier: 3.674A pdb=" N ARGAO 113 " --> pdb=" O ASPAO 109 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N ALAAO 117 " --> pdb=" O ARGAO 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THRAO 118 " --> pdb=" O VALAO 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VALAO 119 " --> pdb=" O ASPAO 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASNAO 126 " --> pdb=" O ARGAO 122 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEUAO 128 " --> pdb=" O ALAAO 124 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N GLUAO 131 " --> pdb=" O ASNAO 127 " (cutoff:3.500A) Processing helix chain 'AO' and resid 141 through 149 removed outlier: 3.795A pdb=" N GLUAO 145 " --> pdb=" O ARGAO 141 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N SERAO 146 " --> pdb=" O SERAO 142 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N SERAO 148 " --> pdb=" O PHEAO 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLYAO 149 " --> pdb=" O GLUAO 145 " (cutoff:3.500A) Processing helix chain 'AQ' and resid 8 through 14 Processing helix chain 'AQ' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEUAQ 26 " --> pdb=" O GLUAQ 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THRAQ 28 " --> pdb=" O ILEAQ 24 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ASNAQ 29 " --> pdb=" O ASNAQ 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLYAQ 32 " --> pdb=" O THRAQ 28 " (cutoff:3.500A) Processing helix chain 'AQ' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARGAQ 46 " --> pdb=" O THRAQ 42 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N PHEAQ 48 " --> pdb=" O VALAQ 44 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLUAQ 50 " --> pdb=" O ARGAQ 46 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VALAQ 51 " --> pdb=" O GLNAQ 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRPAQ 52 " --> pdb=" O PHEAQ 48 " (cutoff:3.500A) Processing helix chain 'AQ' and resid 76 through 82 Processing helix chain 'AQ' and resid 82 through 87 Processing helix chain 'AQ' and resid 92 through 97 removed outlier: 4.220A pdb=" N VALAQ 96 " --> pdb=" O ARGAQ 92 " (cutoff:3.500A) Processing helix chain 'AQ' and resid 103 through 109 removed outlier: 4.298A pdb=" N THRAQ 107 " --> pdb=" O THRAQ 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASPAQ 109 " --> pdb=" O ALAAQ 105 " (cutoff:3.500A) Processing helix chain 'AQ' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARGAQ 113 " --> pdb=" O ASPAQ 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALAAQ 117 " --> pdb=" O ARGAQ 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THRAQ 118 " --> pdb=" O VALAQ 114 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N VALAQ 119 " --> pdb=" O ASPAQ 115 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N ASNAQ 126 " --> pdb=" O ARGAQ 122 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEUAQ 128 " --> pdb=" O ALAAQ 124 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N GLUAQ 131 " --> pdb=" O ASNAQ 127 " (cutoff:3.500A) Processing helix chain 'AQ' and resid 141 through 149 removed outlier: 3.796A pdb=" N GLUAQ 145 " --> pdb=" O ARGAQ 141 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N SERAQ 146 " --> pdb=" O SERAQ 142 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N SERAQ 148 " --> pdb=" O PHEAQ 144 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N GLYAQ 149 " --> pdb=" O GLUAQ 145 " (cutoff:3.500A) Processing helix chain 'AS' and resid 8 through 14 Processing helix chain 'AS' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEUAS 26 " --> pdb=" O GLUAS 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THRAS 28 " --> pdb=" O ILEAS 24 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ASNAS 29 " --> pdb=" O ASNAS 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLYAS 32 " --> pdb=" O THRAS 28 " (cutoff:3.500A) Processing helix chain 'AS' and resid 37 through 52 removed outlier: 4.116A pdb=" N ARGAS 46 " --> pdb=" O THRAS 42 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N PHEAS 48 " --> pdb=" O VALAS 44 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLUAS 50 " --> pdb=" O ARGAS 46 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VALAS 51 " --> pdb=" O GLNAS 47 " (cutoff:3.500A) removed outlier: 4.808A pdb=" N TRPAS 52 " --> pdb=" O PHEAS 48 " (cutoff:3.500A) Processing helix chain 'AS' and resid 76 through 82 Processing helix chain 'AS' and resid 82 through 87 Processing helix chain 'AS' and resid 92 through 97 removed outlier: 4.220A pdb=" N VALAS 96 " --> pdb=" O ARGAS 92 " (cutoff:3.500A) Processing helix chain 'AS' and resid 103 through 109 removed outlier: 4.299A pdb=" N THRAS 107 " --> pdb=" O THRAS 103 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ASPAS 109 " --> pdb=" O ALAAS 105 " (cutoff:3.500A) Processing helix chain 'AS' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARGAS 113 " --> pdb=" O ASPAS 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALAAS 117 " --> pdb=" O ARGAS 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THRAS 118 " --> pdb=" O VALAS 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VALAS 119 " --> pdb=" O ASPAS 115 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N ASNAS 126 " --> pdb=" O ARGAS 122 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEUAS 128 " --> pdb=" O ALAAS 124 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N GLUAS 131 " --> pdb=" O ASNAS 127 " (cutoff:3.500A) Processing helix chain 'AS' and resid 141 through 149 removed outlier: 3.796A pdb=" N GLUAS 145 " --> pdb=" O ARGAS 141 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N SERAS 146 " --> pdb=" O SERAS 142 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N SERAS 148 " --> pdb=" O PHEAS 144 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N GLYAS 149 " --> pdb=" O GLUAS 145 " (cutoff:3.500A) Processing helix chain 'AU' and resid 8 through 14 Processing helix chain 'AU' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEUAU 26 " --> pdb=" O GLUAU 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THRAU 28 " --> pdb=" O ILEAU 24 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASNAU 29 " --> pdb=" O ASNAU 25 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N GLYAU 32 " --> pdb=" O THRAU 28 " (cutoff:3.500A) Processing helix chain 'AU' and resid 37 through 52 removed outlier: 4.116A pdb=" N ARGAU 46 " --> pdb=" O THRAU 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHEAU 48 " --> pdb=" O VALAU 44 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLUAU 50 " --> pdb=" O ARGAU 46 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N VALAU 51 " --> pdb=" O GLNAU 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRPAU 52 " --> pdb=" O PHEAU 48 " (cutoff:3.500A) Processing helix chain 'AU' and resid 76 through 82 Processing helix chain 'AU' and resid 82 through 87 Processing helix chain 'AU' and resid 92 through 97 removed outlier: 4.220A pdb=" N VALAU 96 " --> pdb=" O ARGAU 92 " (cutoff:3.500A) Processing helix chain 'AU' and resid 103 through 109 removed outlier: 4.299A pdb=" N THRAU 107 " --> pdb=" O THRAU 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASPAU 109 " --> pdb=" O ALAAU 105 " (cutoff:3.500A) Processing helix chain 'AU' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARGAU 113 " --> pdb=" O ASPAU 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALAAU 117 " --> pdb=" O ARGAU 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THRAU 118 " --> pdb=" O VALAU 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VALAU 119 " --> pdb=" O ASPAU 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASNAU 126 " --> pdb=" O ARGAU 122 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEUAU 128 " --> pdb=" O ALAAU 124 " (cutoff:3.500A) removed outlier: 4.398A pdb=" N GLUAU 131 " --> pdb=" O ASNAU 127 " (cutoff:3.500A) Processing helix chain 'AU' and resid 141 through 149 removed outlier: 3.795A pdb=" N GLUAU 145 " --> pdb=" O ARGAU 141 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N SERAU 146 " --> pdb=" O SERAU 142 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N SERAU 148 " --> pdb=" O PHEAU 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLYAU 149 " --> pdb=" O GLUAU 145 " (cutoff:3.500A) Processing helix chain 'AW' and resid 8 through 14 Processing helix chain 'AW' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEUAW 26 " --> pdb=" O GLUAW 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THRAW 28 " --> pdb=" O ILEAW 24 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASNAW 29 " --> pdb=" O ASNAW 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLYAW 32 " --> pdb=" O THRAW 28 " (cutoff:3.500A) Processing helix chain 'AW' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARGAW 46 " --> pdb=" O THRAW 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHEAW 48 " --> pdb=" O VALAW 44 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLUAW 50 " --> pdb=" O ARGAW 46 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VALAW 51 " --> pdb=" O GLNAW 47 " (cutoff:3.500A) removed outlier: 4.808A pdb=" N TRPAW 52 " --> pdb=" O PHEAW 48 " (cutoff:3.500A) Processing helix chain 'AW' and resid 76 through 82 Processing helix chain 'AW' and resid 82 through 87 Processing helix chain 'AW' and resid 92 through 97 removed outlier: 4.220A pdb=" N VALAW 96 " --> pdb=" O ARGAW 92 " (cutoff:3.500A) Processing helix chain 'AW' and resid 103 through 109 removed outlier: 4.299A pdb=" N THRAW 107 " --> pdb=" O THRAW 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASPAW 109 " --> pdb=" O ALAAW 105 " (cutoff:3.500A) Processing helix chain 'AW' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARGAW 113 " --> pdb=" O ASPAW 109 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N ALAAW 117 " --> pdb=" O ARGAW 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THRAW 118 " --> pdb=" O VALAW 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VALAW 119 " --> pdb=" O ASPAW 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASNAW 126 " --> pdb=" O ARGAW 122 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEUAW 128 " --> pdb=" O ALAAW 124 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N GLUAW 131 " --> pdb=" O ASNAW 127 " (cutoff:3.500A) Processing helix chain 'AW' and resid 141 through 149 removed outlier: 3.796A pdb=" N GLUAW 145 " --> pdb=" O ARGAW 141 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N SERAW 146 " --> pdb=" O SERAW 142 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N SERAW 148 " --> pdb=" O PHEAW 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLYAW 149 " --> pdb=" O GLUAW 145 " (cutoff:3.500A) Processing helix chain 'AY' and resid 8 through 14 Processing helix chain 'AY' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEUAY 26 " --> pdb=" O GLUAY 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THRAY 28 " --> pdb=" O ILEAY 24 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASNAY 29 " --> pdb=" O ASNAY 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLYAY 32 " --> pdb=" O THRAY 28 " (cutoff:3.500A) Processing helix chain 'AY' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARGAY 46 " --> pdb=" O THRAY 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHEAY 48 " --> pdb=" O VALAY 44 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLUAY 50 " --> pdb=" O ARGAY 46 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N VALAY 51 " --> pdb=" O GLNAY 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRPAY 52 " --> pdb=" O PHEAY 48 " (cutoff:3.500A) Processing helix chain 'AY' and resid 76 through 82 Processing helix chain 'AY' and resid 82 through 87 Processing helix chain 'AY' and resid 92 through 97 removed outlier: 4.220A pdb=" N VALAY 96 " --> pdb=" O ARGAY 92 " (cutoff:3.500A) Processing helix chain 'AY' and resid 103 through 109 removed outlier: 4.299A pdb=" N THRAY 107 " --> pdb=" O THRAY 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASPAY 109 " --> pdb=" O ALAAY 105 " (cutoff:3.500A) Processing helix chain 'AY' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARGAY 113 " --> pdb=" O ASPAY 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALAAY 117 " --> pdb=" O ARGAY 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THRAY 118 " --> pdb=" O VALAY 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VALAY 119 " --> pdb=" O ASPAY 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASNAY 126 " --> pdb=" O ARGAY 122 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEUAY 128 " --> pdb=" O ALAAY 124 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N GLUAY 131 " --> pdb=" O ASNAY 127 " (cutoff:3.500A) Processing helix chain 'AY' and resid 141 through 149 removed outlier: 3.795A pdb=" N GLUAY 145 " --> pdb=" O ARGAY 141 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N SERAY 146 " --> pdb=" O SERAY 142 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N SERAY 148 " --> pdb=" O PHEAY 144 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N GLYAY 149 " --> pdb=" O GLUAY 145 " (cutoff:3.500A) Processing helix chain 'A0' and resid 8 through 14 Processing helix chain 'A0' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEUA0 26 " --> pdb=" O GLUA0 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THRA0 28 " --> pdb=" O ILEA0 24 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASNA0 29 " --> pdb=" O ASNA0 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLYA0 32 " --> pdb=" O THRA0 28 " (cutoff:3.500A) Processing helix chain 'A0' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARGA0 46 " --> pdb=" O THRA0 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHEA0 48 " --> pdb=" O VALA0 44 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLUA0 50 " --> pdb=" O ARGA0 46 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VALA0 51 " --> pdb=" O GLNA0 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRPA0 52 " --> pdb=" O PHEA0 48 " (cutoff:3.500A) Processing helix chain 'A0' and resid 76 through 82 Processing helix chain 'A0' and resid 82 through 87 Processing helix chain 'A0' and resid 92 through 97 removed outlier: 4.220A pdb=" N VALA0 96 " --> pdb=" O ARGA0 92 " (cutoff:3.500A) Processing helix chain 'A0' and resid 103 through 109 removed outlier: 4.298A pdb=" N THRA0 107 " --> pdb=" O THRA0 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASPA0 109 " --> pdb=" O ALAA0 105 " (cutoff:3.500A) Processing helix chain 'A0' and resid 109 through 131 removed outlier: 3.674A pdb=" N ARGA0 113 " --> pdb=" O ASPA0 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALAA0 117 " --> pdb=" O ARGA0 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THRA0 118 " --> pdb=" O VALA0 114 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N VALA0 119 " --> pdb=" O ASPA0 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASNA0 126 " --> pdb=" O ARGA0 122 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEUA0 128 " --> pdb=" O ALAA0 124 " (cutoff:3.500A) removed outlier: 4.398A pdb=" N GLUA0 131 " --> pdb=" O ASNA0 127 " (cutoff:3.500A) Processing helix chain 'A0' and resid 141 through 149 removed outlier: 3.795A pdb=" N GLUA0 145 " --> pdb=" O ARGA0 141 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N SERA0 146 " --> pdb=" O SERA0 142 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N SERA0 148 " --> pdb=" O PHEA0 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLYA0 149 " --> pdb=" O GLUA0 145 " (cutoff:3.500A) Processing helix chain 'A2' and resid 8 through 14 Processing helix chain 'A2' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEUA2 26 " --> pdb=" O GLUA2 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THRA2 28 " --> pdb=" O ILEA2 24 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ASNA2 29 " --> pdb=" O ASNA2 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLYA2 32 " --> pdb=" O THRA2 28 " (cutoff:3.500A) Processing helix chain 'A2' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARGA2 46 " --> pdb=" O THRA2 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHEA2 48 " --> pdb=" O VALA2 44 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLUA2 50 " --> pdb=" O ARGA2 46 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N VALA2 51 " --> pdb=" O GLNA2 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRPA2 52 " --> pdb=" O PHEA2 48 " (cutoff:3.500A) Processing helix chain 'A2' and resid 76 through 82 Processing helix chain 'A2' and resid 82 through 87 Processing helix chain 'A2' and resid 92 through 97 removed outlier: 4.220A pdb=" N VALA2 96 " --> pdb=" O ARGA2 92 " (cutoff:3.500A) Processing helix chain 'A2' and resid 103 through 109 removed outlier: 4.299A pdb=" N THRA2 107 " --> pdb=" O THRA2 103 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ASPA2 109 " --> pdb=" O ALAA2 105 " (cutoff:3.500A) Processing helix chain 'A2' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARGA2 113 " --> pdb=" O ASPA2 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALAA2 117 " --> pdb=" O ARGA2 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THRA2 118 " --> pdb=" O VALA2 114 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N VALA2 119 " --> pdb=" O ASPA2 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASNA2 126 " --> pdb=" O ARGA2 122 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEUA2 128 " --> pdb=" O ALAA2 124 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N GLUA2 131 " --> pdb=" O ASNA2 127 " (cutoff:3.500A) Processing helix chain 'A2' and resid 141 through 149 removed outlier: 3.795A pdb=" N GLUA2 145 " --> pdb=" O ARGA2 141 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N SERA2 146 " --> pdb=" O SERA2 142 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N SERA2 148 " --> pdb=" O PHEA2 144 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N GLYA2 149 " --> pdb=" O GLUA2 145 " (cutoff:3.500A) Processing helix chain 'A4' and resid 8 through 14 Processing helix chain 'A4' and resid 19 through 32 removed outlier: 4.155A pdb=" N LEUA4 26 " --> pdb=" O GLUA4 22 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N THRA4 28 " --> pdb=" O ILEA4 24 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASNA4 29 " --> pdb=" O ASNA4 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLYA4 32 " --> pdb=" O THRA4 28 " (cutoff:3.500A) Processing helix chain 'A4' and resid 37 through 52 removed outlier: 4.116A pdb=" N ARGA4 46 " --> pdb=" O THRA4 42 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N PHEA4 48 " --> pdb=" O VALA4 44 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLUA4 50 " --> pdb=" O ARGA4 46 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VALA4 51 " --> pdb=" O GLNA4 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRPA4 52 " --> pdb=" O PHEA4 48 " (cutoff:3.500A) Processing helix chain 'A4' and resid 76 through 82 Processing helix chain 'A4' and resid 82 through 87 Processing helix chain 'A4' and resid 92 through 97 removed outlier: 4.220A pdb=" N VALA4 96 " --> pdb=" O ARGA4 92 " (cutoff:3.500A) Processing helix chain 'A4' and resid 103 through 109 removed outlier: 4.299A pdb=" N THRA4 107 " --> pdb=" O THRA4 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASPA4 109 " --> pdb=" O ALAA4 105 " (cutoff:3.500A) Processing helix chain 'A4' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARGA4 113 " --> pdb=" O ASPA4 109 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N ALAA4 117 " --> pdb=" O ARGA4 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THRA4 118 " --> pdb=" O VALA4 114 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VALA4 119 " --> pdb=" O ASPA4 115 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N ASNA4 126 " --> pdb=" O ARGA4 122 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEUA4 128 " --> pdb=" O ALAA4 124 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N GLUA4 131 " --> pdb=" O ASNA4 127 " (cutoff:3.500A) Processing helix chain 'A4' and resid 141 through 149 removed outlier: 3.796A pdb=" N GLUA4 145 " --> pdb=" O ARGA4 141 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N SERA4 146 " --> pdb=" O SERA4 142 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N SERA4 148 " --> pdb=" O PHEA4 144 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N GLYA4 149 " --> pdb=" O GLUA4 145 " (cutoff:3.500A) Processing helix chain 'A6' and resid 8 through 14 Processing helix chain 'A6' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEUA6 26 " --> pdb=" O GLUA6 22 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N THRA6 28 " --> pdb=" O ILEA6 24 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASNA6 29 " --> pdb=" O ASNA6 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLYA6 32 " --> pdb=" O THRA6 28 " (cutoff:3.500A) Processing helix chain 'A6' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARGA6 46 " --> pdb=" O THRA6 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHEA6 48 " --> pdb=" O VALA6 44 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N GLUA6 50 " --> pdb=" O ARGA6 46 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N VALA6 51 " --> pdb=" O GLNA6 47 " (cutoff:3.500A) removed outlier: 4.807A pdb=" N TRPA6 52 " --> pdb=" O PHEA6 48 " (cutoff:3.500A) Processing helix chain 'A6' and resid 76 through 82 Processing helix chain 'A6' and resid 82 through 87 Processing helix chain 'A6' and resid 92 through 97 removed outlier: 4.220A pdb=" N VALA6 96 " --> pdb=" O ARGA6 92 " (cutoff:3.500A) Processing helix chain 'A6' and resid 103 through 109 removed outlier: 4.299A pdb=" N THRA6 107 " --> pdb=" O THRA6 103 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ASPA6 109 " --> pdb=" O ALAA6 105 " (cutoff:3.500A) Processing helix chain 'A6' and resid 109 through 131 removed outlier: 3.674A pdb=" N ARGA6 113 " --> pdb=" O ASPA6 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALAA6 117 " --> pdb=" O ARGA6 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THRA6 118 " --> pdb=" O VALA6 114 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N VALA6 119 " --> pdb=" O ASPA6 115 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASNA6 126 " --> pdb=" O ARGA6 122 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEUA6 128 " --> pdb=" O ALAA6 124 " (cutoff:3.500A) removed outlier: 4.398A pdb=" N GLUA6 131 " --> pdb=" O ASNA6 127 " (cutoff:3.500A) Processing helix chain 'A6' and resid 141 through 149 removed outlier: 3.796A pdb=" N GLUA6 145 " --> pdb=" O ARGA6 141 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N SERA6 146 " --> pdb=" O SERA6 142 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N SERA6 148 " --> pdb=" O PHEA6 144 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N GLYA6 149 " --> pdb=" O GLUA6 145 " (cutoff:3.500A) Processing helix chain 'A8' and resid 8 through 14 Processing helix chain 'A8' and resid 19 through 32 removed outlier: 4.154A pdb=" N LEUA8 26 " --> pdb=" O GLUA8 22 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THRA8 28 " --> pdb=" O ILEA8 24 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ASNA8 29 " --> pdb=" O ASNA8 25 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLYA8 32 " --> pdb=" O THRA8 28 " (cutoff:3.500A) Processing helix chain 'A8' and resid 37 through 52 removed outlier: 4.117A pdb=" N ARGA8 46 " --> pdb=" O THRA8 42 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHEA8 48 " --> pdb=" O VALA8 44 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLUA8 50 " --> pdb=" O ARGA8 46 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N VALA8 51 " --> pdb=" O GLNA8 47 " (cutoff:3.500A) removed outlier: 4.808A pdb=" N TRPA8 52 " --> pdb=" O PHEA8 48 " (cutoff:3.500A) Processing helix chain 'A8' and resid 76 through 82 Processing helix chain 'A8' and resid 82 through 87 Processing helix chain 'A8' and resid 92 through 97 removed outlier: 4.220A pdb=" N VALA8 96 " --> pdb=" O ARGA8 92 " (cutoff:3.500A) Processing helix chain 'A8' and resid 103 through 109 removed outlier: 4.299A pdb=" N THRA8 107 " --> pdb=" O THRA8 103 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASPA8 109 " --> pdb=" O ALAA8 105 " (cutoff:3.500A) Processing helix chain 'A8' and resid 109 through 131 removed outlier: 3.675A pdb=" N ARGA8 113 " --> pdb=" O ASPA8 109 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ALAA8 117 " --> pdb=" O ARGA8 113 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N THRA8 118 " --> pdb=" O VALA8 114 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N VALA8 119 " --> pdb=" O ASPA8 115 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N ASNA8 126 " --> pdb=" O ARGA8 122 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEUA8 128 " --> pdb=" O ALAA8 124 " (cutoff:3.500A) removed outlier: 4.398A pdb=" N GLUA8 131 " --> pdb=" O ASNA8 127 " (cutoff:3.500A) Processing helix chain 'A8' and resid 141 through 149 removed outlier: 3.795A pdb=" N GLUA8 145 " --> pdb=" O ARGA8 141 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N SERA8 146 " --> pdb=" O SERA8 142 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N SERA8 148 " --> pdb=" O PHEA8 144 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N GLYA8 149 " --> pdb=" O GLUA8 145 " (cutoff:3.500A) Processing sheet with id= 1, first strand: chain 'A' and resid 67 through 69 Processing sheet with id= 2, first strand: chain 'B' and resid 67 through 69 Processing sheet with id= 3, first strand: chain 'D' and resid 67 through 69 Processing sheet with id= 4, first strand: chain 'F' and resid 67 through 69 Processing sheet with id= 5, first strand: chain 'H' and resid 67 through 69 Processing sheet with id= 6, first strand: chain 'J' and resid 67 through 69 Processing sheet with id= 7, first strand: chain 'L' and resid 67 through 69 Processing sheet with id= 8, first strand: chain 'N' and resid 67 through 69 Processing sheet with id= 9, first strand: chain 'P' and resid 67 through 69 Processing sheet with id= 10, first strand: chain 'S' and resid 67 through 69 Processing sheet with id= 11, first strand: chain 'U' and resid 67 through 69 Processing sheet with id= 12, first strand: chain 'W' and resid 67 through 69 Processing sheet with id= 13, first strand: chain 'Y' and resid 67 through 69 Processing sheet with id= 14, first strand: chain '0' and resid 67 through 69 Processing sheet with id= 15, first strand: chain '2' and resid 67 through 69 Processing sheet with id= 16, first strand: chain '4' and resid 67 through 69 Processing sheet with id= 17, first strand: chain '6' and resid 67 through 69 Processing sheet with id= 18, first strand: chain '8' and resid 67 through 69 Processing sheet with id= 19, first strand: chain 'a' and resid 67 through 69 Processing sheet with id= 20, first strand: chain 'c' and resid 67 through 69 Processing sheet with id= 21, first strand: chain 'e' and resid 67 through 69 Processing sheet with id= 22, first strand: chain 'g' and resid 67 through 69 Processing sheet with id= 23, first strand: chain 'i' and resid 67 through 69 Processing sheet with id= 24, first strand: chain 'k' and resid 67 through 69 Processing sheet with id= 25, first strand: chain 'm' and resid 67 through 69 Processing sheet with id= 26, first strand: chain 'o' and resid 67 through 69 Processing sheet with id= 27, first strand: chain 'q' and resid 67 through 69 Processing sheet with id= 28, first strand: chain 's' and resid 67 through 69 Processing sheet with id= 29, first strand: chain 'u' and resid 67 through 69 Processing sheet with id= 30, first strand: chain 'w' and resid 67 through 69 Processing sheet with id= 31, first strand: chain 'y' and resid 67 through 69 Processing sheet with id= 32, first strand: chain 'AA' and resid 67 through 69 Processing sheet with id= 33, first strand: chain 'AC' and resid 67 through 69 Processing sheet with id= 34, first strand: chain 'AE' and resid 67 through 69 Processing sheet with id= 35, first strand: chain 'AG' and resid 67 through 69 Processing sheet with id= 36, first strand: chain 'AI' and resid 67 through 69 Processing sheet with id= 37, first strand: chain 'AK' and resid 67 through 69 Processing sheet with id= 38, first strand: chain 'AM' and resid 67 through 69 Processing sheet with id= 39, first strand: chain 'AO' and resid 67 through 69 Processing sheet with id= 40, first strand: chain 'AQ' and resid 67 through 69 Processing sheet with id= 41, first strand: chain 'AS' and resid 67 through 69 Processing sheet with id= 42, first strand: chain 'AU' and resid 67 through 69 Processing sheet with id= 43, first strand: chain 'AW' and resid 67 through 69 Processing sheet with id= 44, first strand: chain 'AY' and resid 67 through 69 Processing sheet with id= 45, first strand: chain 'A0' and resid 67 through 69 Processing sheet with id= 46, first strand: chain 'A2' and resid 67 through 69 Processing sheet with id= 47, first strand: chain 'A4' and resid 67 through 69 Processing sheet with id= 48, first strand: chain 'A6' and resid 67 through 69 Processing sheet with id= 49, first strand: chain 'A8' and resid 67 through 69 1911 hydrogen bonds defined for protein. 5145 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: 20.15 Time building geometry restraints manager: 23.50 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.21 - 1.33: 12664 1.33 - 1.45: 17408 1.45 - 1.57: 33537 1.57 - 1.69: 581 1.69 - 1.81: 49 Bond restraints: 64239 Sorted by residual: bond pdb=" C GLN 6 34 " pdb=" N PHE 6 35 " ideal model delta sigma weight residual 1.332 1.438 -0.106 1.39e-02 5.18e+03 5.76e+01 bond pdb=" C GLN J 34 " pdb=" N PHE J 35 " ideal model delta sigma weight residual 1.332 1.437 -0.105 1.39e-02 5.18e+03 5.75e+01 bond pdb=" C GLN Y 34 " pdb=" N PHE Y 35 " ideal model delta sigma weight residual 1.332 1.437 -0.105 1.39e-02 5.18e+03 5.75e+01 bond pdb=" C PHE 4 10 " pdb=" N VAL 4 11 " ideal model delta sigma weight residual 1.335 1.418 -0.083 1.09e-02 8.42e+03 5.75e+01 bond pdb=" C PHE D 10 " pdb=" N VAL D 11 " ideal model delta sigma weight residual 1.335 1.418 -0.083 1.09e-02 8.42e+03 5.74e+01 ... (remaining 64234 not shown) Histogram of bond angle deviations from ideal: 97.85 - 105.10: 2401 105.10 - 112.35: 31359 112.35 - 119.60: 21855 119.60 - 126.84: 31155 126.84 - 134.09: 1626 Bond angle restraints: 88396 Sorted by residual: angle pdb=" N GLN 2 38 " pdb=" CA GLN 2 38 " pdb=" C GLN 2 38 " ideal model delta sigma weight residual 111.28 97.85 13.43 1.09e+00 8.42e-01 1.52e+02 angle pdb=" N GLNAY 38 " pdb=" CA GLNAY 38 " pdb=" C GLNAY 38 " ideal model delta sigma weight residual 111.28 97.87 13.41 1.09e+00 8.42e-01 1.51e+02 angle pdb=" N GLNA2 38 " pdb=" CA GLNA2 38 " pdb=" C GLNA2 38 " ideal model delta sigma weight residual 111.28 97.87 13.41 1.09e+00 8.42e-01 1.51e+02 angle pdb=" N GLNA8 38 " pdb=" CA GLNA8 38 " pdb=" C GLNA8 38 " ideal model delta sigma weight residual 111.28 97.87 13.41 1.09e+00 8.42e-01 1.51e+02 angle pdb=" N GLN J 38 " pdb=" CA GLN J 38 " pdb=" C GLN J 38 " ideal model delta sigma weight residual 111.28 97.88 13.40 1.09e+00 8.42e-01 1.51e+02 ... (remaining 88391 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 22.99: 33271 22.99 - 45.97: 3871 45.97 - 68.96: 882 68.96 - 91.94: 98 91.94 - 114.93: 98 Dihedral angle restraints: 38220 sinusoidal: 15925 harmonic: 22295 Sorted by residual: dihedral pdb=" CA ASNAW 91 " pdb=" C ASNAW 91 " pdb=" N ARGAW 92 " pdb=" CA ARGAW 92 " ideal model delta harmonic sigma weight residual -180.00 -65.07 -114.93 0 5.00e+00 4.00e-02 5.28e+02 dihedral pdb=" CA ASN g 91 " pdb=" C ASN g 91 " pdb=" N ARG g 92 " pdb=" CA ARG g 92 " ideal model delta harmonic sigma weight residual -180.00 -65.08 -114.92 0 5.00e+00 4.00e-02 5.28e+02 dihedral pdb=" CA ASNAA 91 " pdb=" C ASNAA 91 " pdb=" N ARGAA 92 " pdb=" CA ARGAA 92 " ideal model delta harmonic sigma weight residual -180.00 -65.09 -114.91 0 5.00e+00 4.00e-02 5.28e+02 ... (remaining 38217 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.103: 7768 0.103 - 0.206: 1701 0.206 - 0.309: 800 0.309 - 0.411: 70 0.411 - 0.514: 147 Chirality restraints: 10486 Sorted by residual: chirality pdb=" CA TRP u 52 " pdb=" N TRP u 52 " pdb=" C TRP u 52 " pdb=" CB TRP u 52 " both_signs ideal model delta sigma weight residual False 2.51 2.00 0.51 2.00e-01 2.50e+01 6.61e+00 chirality pdb=" CA TRP J 52 " pdb=" N TRP J 52 " pdb=" C TRP J 52 " pdb=" CB TRP J 52 " both_signs ideal model delta sigma weight residual False 2.51 2.00 0.51 2.00e-01 2.50e+01 6.61e+00 chirality pdb=" CA TRP a 52 " pdb=" N TRP a 52 " pdb=" C TRP a 52 " pdb=" CB TRP a 52 " both_signs ideal model delta sigma weight residual False 2.51 2.00 0.51 2.00e-01 2.50e+01 6.60e+00 ... (remaining 10483 not shown) Planarity restraints: 10927 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CA ALA H 105 " 0.033 2.00e-02 2.50e+03 6.33e-02 4.01e+01 pdb=" C ALA H 105 " -0.110 2.00e-02 2.50e+03 pdb=" O ALA H 105 " 0.040 2.00e-02 2.50e+03 pdb=" N GLU H 106 " 0.037 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CA ALA D 105 " 0.033 2.00e-02 2.50e+03 6.33e-02 4.00e+01 pdb=" C ALA D 105 " -0.110 2.00e-02 2.50e+03 pdb=" O ALA D 105 " 0.040 2.00e-02 2.50e+03 pdb=" N GLU D 106 " 0.037 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CA ALA P 105 " 0.033 2.00e-02 2.50e+03 6.33e-02 4.00e+01 pdb=" C ALA P 105 " -0.110 2.00e-02 2.50e+03 pdb=" O ALA P 105 " 0.040 2.00e-02 2.50e+03 pdb=" N GLU P 106 " 0.037 2.00e-02 2.50e+03 ... (remaining 10924 not shown) Histogram of nonbonded interaction distances: 1.23 - 1.96: 726 1.96 - 2.70: 11334 2.70 - 3.43: 97858 3.43 - 4.17: 154791 4.17 - 4.90: 256348 Nonbonded interactions: 521057 Sorted by model distance: nonbonded pdb=" OD1 ASPAU 115 " pdb=" NH2 ARGAW 113 " model vdw 1.226 2.520 nonbonded pdb=" OD1 ASPAS 115 " pdb=" NH2 ARGAU 113 " model vdw 1.226 2.520 nonbonded pdb=" OD1 ASP S 115 " pdb=" NH2 ARG U 113 " model vdw 1.226 2.520 nonbonded pdb=" OD1 ASPAW 115 " pdb=" NH2 ARGAY 113 " model vdw 1.226 2.520 nonbonded pdb=" OD1 ASP A 115 " pdb=" NH2 ARG o 113 " model vdw 1.226 2.520 ... (remaining 521052 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 '2' selection = chain '4' selection = chain '6' selection = chain '8' selection = chain 'A' selection = chain 'A0' selection = chain 'A2' selection = chain 'A4' selection = chain 'A6' selection = chain 'A8' selection = chain 'AA' selection = chain 'AC' selection = chain 'AE' selection = chain 'AG' selection = chain 'AI' selection = chain 'AK' selection = chain 'AM' selection = chain 'AO' selection = chain 'AQ' selection = chain 'AS' selection = chain 'AU' selection = chain 'AW' selection = chain 'AY' selection = chain 'B' selection = chain 'D' selection = chain 'F' selection = chain 'H' selection = chain 'J' selection = chain 'L' selection = chain 'N' selection = chain 'P' selection = chain 'S' selection = chain 'U' selection = chain 'W' selection = chain 'Y' selection = chain 'a' selection = chain 'c' selection = chain 'e' selection = chain 'g' selection = chain 'i' selection = chain 'k' selection = chain 'm' selection = chain 'o' selection = chain 'q' selection = chain 's' selection = chain 'u' selection = chain 'w' selection = chain 'y' } ncs_group { reference = chain '1' selection = chain '3' selection = chain '5' selection = chain '7' selection = chain '9' selection = chain 'A1' selection = chain 'A3' selection = chain 'A5' selection = chain 'A7' selection = chain 'A9' selection = chain 'AB' selection = chain 'AD' selection = chain 'AF' selection = chain 'AH' selection = chain 'AJ' selection = chain 'AL' selection = chain 'AN' selection = chain 'AP' selection = chain 'AR' selection = chain 'AT' selection = chain 'AV' selection = chain 'AX' selection = chain 'AZ' selection = chain 'C' selection = chain 'E' selection = chain 'G' selection = chain 'I' selection = chain 'K' selection = chain 'M' selection = chain 'O' selection = chain 'Q' selection = chain 'R' selection = chain 'T' selection = chain 'V' selection = chain 'X' selection = chain 'Z' selection = chain 'b' selection = chain 'd' selection = chain 'f' selection = chain 'h' selection = chain 'j' selection = chain 'l' selection = chain 'n' selection = chain 'p' selection = chain 'r' selection = chain 't' selection = chain 'v' selection = chain 'x' selection = chain 'z' } Set up NCS constraints Number of NCS constrained groups: 2 pdb_interpretation.ncs_group { reference = chain '0' selection = chain '2' selection = chain '4' selection = chain '6' selection = chain '8' selection = chain 'A' selection = chain 'A0' selection = chain 'A2' selection = chain 'A4' selection = chain 'A6' selection = chain 'A8' selection = chain 'AA' selection = chain 'AC' selection = chain 'AE' selection = chain 'AG' selection = chain 'AI' selection = chain 'AK' selection = chain 'AM' selection = chain 'AO' selection = chain 'AQ' selection = chain 'AS' selection = chain 'AU' selection = chain 'AW' selection = chain 'AY' selection = chain 'B' selection = chain 'D' selection = chain 'F' selection = chain 'H' selection = chain 'J' selection = chain 'L' selection = chain 'N' selection = chain 'P' selection = chain 'S' selection = chain 'U' selection = chain 'W' selection = chain 'Y' selection = chain 'a' selection = chain 'c' selection = chain 'e' selection = chain 'g' selection = chain 'i' selection = chain 'k' selection = chain 'm' selection = chain 'o' selection = chain 'q' selection = chain 's' selection = chain 'u' selection = chain 'w' selection = chain 'y' } pdb_interpretation.ncs_group { reference = chain '1' selection = chain '3' selection = chain '5' selection = chain '7' selection = chain '9' selection = chain 'A1' selection = chain 'A3' selection = chain 'A5' selection = chain 'A7' selection = chain 'A9' selection = chain 'AB' selection = chain 'AD' selection = chain 'AF' selection = chain 'AH' selection = chain 'AJ' selection = chain 'AL' selection = chain 'AN' selection = chain 'AP' selection = chain 'AR' selection = chain 'AT' selection = chain 'AV' selection = chain 'AX' selection = chain 'AZ' selection = chain 'C' selection = chain 'E' selection = chain 'G' selection = chain 'I' selection = chain 'K' selection = chain 'M' selection = chain 'O' selection = chain 'Q' selection = chain 'R' selection = chain 'T' selection = chain 'V' selection = chain 'X' selection = chain 'Z' selection = chain 'b' selection = chain 'd' selection = chain 'f' selection = chain 'h' selection = chain 'j' selection = chain 'l' selection = chain 'n' selection = chain 'p' selection = chain 'r' selection = chain 't' selection = chain 'v' selection = chain 'x' selection = chain 'z' } Set refine NCS operators NCS operators will be refined. Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=0.20 max=1.00 mean=0.21 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: 0.390 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.000 Construct map_model_manager: 0.050 Extract box with map and model: 4.490 Check model and map are aligned: 0.700 Set scattering table: 0.410 Process input model: 136.690 Find NCS groups from input model: 3.290 Set up NCS constraints: 1.110 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.020 Extract rigid body selections: 0.000 Check and reset occupancies: 0.010 Load rotamer database and sin/cos tables:2.630 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 149.790 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.4137 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 : 0.012 0.120 64239 Z= 0.781 Angle : 2.122 14.467 88396 Z= 1.596 Chirality : 0.116 0.514 10486 Planarity : 0.019 0.115 10927 Dihedral : 20.754 114.926 23618 Min Nonbonded Distance : 1.226 Molprobity Statistics. All-atom Clashscore : 2.63 Ramachandran Plot: Outliers : 1.32 % Allowed : 8.55 % Favored : 90.13 % Rotamer: Outliers : 3.68 % Allowed : 14.71 % Favored : 81.62 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 14.29 % Cis-general : 0.68 % Twisted Proline : 14.29 % Twisted General : 15.07 % 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: -3.51 (0.08), residues: 7448 helix: -2.66 (0.09), residues: 2499 sheet: None (None), residues: 0 loop : -2.26 (0.07), residues: 4949 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.025 0.003 TRP u 52 PHE 0.010 0.001 PHE F 87 TYR 0.001 0.000 TYR S 2 ARG 0.001 0.000 ARG U 112 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 14896 Ramachandran restraints generated. 7448 Oldfield, 0 Emsley, 7448 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 14896 Ramachandran restraints generated. 7448 Oldfield, 0 Emsley, 7448 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 41 residues out of total 136 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 5 poor density : 36 time to evaluate : 0.099 Fit side-chains REVERT: 0 37 THR cc_start: 0.6415 (OUTLIER) cc_final: 0.5865 (t) REVERT: 0 53 LYS cc_start: 0.8613 (pttt) cc_final: 0.8319 (pttm) REVERT: 0 111 THR cc_start: 0.7124 (t) cc_final: 0.6759 (m) outliers start: 5 outliers final: 1 residues processed: 38 average time/residue: 0.1274 time to fit residues: 5.3332 Evaluate side-chains 24 residues out of total 136 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2 poor density : 22 time to evaluate : 0.099 Evaluate side-chains 0 residues out of total 0 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 0 time to evaluate : 0.003 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 0.0032 Evaluate side-chains 0 residues out of total 0 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 0 time to evaluate : 0.002 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 735 random chunks: chunk 620 optimal weight: 20.0000 chunk 557 optimal weight: 20.0000 chunk 309 optimal weight: 8.9990 chunk 190 optimal weight: 0.0060 chunk 375 optimal weight: 30.0000 chunk 297 optimal weight: 8.9990 chunk 576 optimal weight: 10.0000 chunk 222 optimal weight: 6.9990 chunk 350 optimal weight: 9.9990 chunk 428 optimal weight: 9.9990 chunk 667 optimal weight: 10.0000 overall best weight: 7.0004 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** S 9 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 38 GLN ** S 73 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 101 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 1 Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.4680 moved from start: 0.7573 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.034 64239 Z= 0.279 Angle : 0.858 8.771 88396 Z= 0.471 Chirality : 0.053 0.247 10486 Planarity : 0.007 0.048 10927 Dihedral : 16.400 89.676 10143 Min Nonbonded Distance : 2.157 Molprobity Statistics. All-atom Clashscore : 1.14 Ramachandran Plot: Outliers : 0.66 % Allowed : 3.29 % Favored : 96.05 % Rotamer: Outliers : 0.74 % Allowed : 6.62 % Favored : 92.65 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 14.29 % Cis-general : 1.37 % Twisted Proline : 0.00 % Twisted General : 2.05 % 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: -2.82 (0.09), residues: 7448 helix: -1.99 (0.06), residues: 4312 sheet: None (None), residues: 0 loop : -1.46 (0.11), residues: 3136 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.017 0.003 TRP g 17 PHE 0.021 0.003 PHE S 10 TYR 0.016 0.003 TYR q 70 ARG 0.007 0.001 ARGAE 90 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 14592 Ramachandran restraints generated. 7296 Oldfield, 0 Emsley, 7296 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 14592 Ramachandran restraints generated. 7296 Oldfield, 0 Emsley, 7296 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 60 residues out of total 136 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 59 time to evaluate : 0.102 Fit side-chains revert: symmetry clash revert: symmetry clash REVERT: S 34 GLN cc_start: 0.8321 (pt0) cc_final: 0.7902 (pp30) REVERT: S 37 THR cc_start: 0.7742 (p) cc_final: 0.7129 (p) REVERT: S 76 LEU cc_start: 0.8544 (mm) cc_final: 0.8226 (mm) REVERT: S 121 ILE cc_start: 0.8750 (pt) cc_final: 0.8532 (pt) REVERT: S 145 GLU cc_start: 0.7450 (mp0) cc_final: 0.7158 (mp0) outliers start: 1 outliers final: 0 residues processed: 59 average time/residue: 0.1218 time to fit residues: 7.8566 Evaluate side-chains 40 residues out of total 136 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 40 time to evaluate : 0.102 Evaluate side-chains 0 residues out of total 0 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 0 time to evaluate : 0.002 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 0.0031 Evaluate side-chains 0 residues out of total 0 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 0 time to evaluate : 0.003 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 735 random chunks: chunk 370 optimal weight: 9.9990 chunk 207 optimal weight: 10.0000 chunk 555 optimal weight: 30.0000 chunk 454 optimal weight: 1.9990 chunk 184 optimal weight: 5.9990 chunk 668 optimal weight: 0.0270 chunk 722 optimal weight: 10.0000 chunk 595 optimal weight: 2.9990 chunk 663 optimal weight: 0.0060 chunk 227 optimal weight: 20.0000 chunk 536 optimal weight: 5.9990 overall best weight: 2.2060 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: S 45 GLN S 98 ASN Total number of N/Q/H flips: 2 Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.4673 moved from start: 0.9117 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.029 64239 Z= 0.205 Angle : 0.767 7.293 88396 Z= 0.421 Chirality : 0.046 0.254 10486 Planarity : 0.007 0.042 10927 Dihedral : 15.177 89.496 10143 Min Nonbonded Distance : 2.153 Molprobity Statistics. All-atom Clashscore : 0.75 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.29 % Favored : 96.71 % Rotamer: Outliers : 0.00 % Allowed : 4.41 % Favored : 95.59 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 14.29 % Cis-general : 1.37 % Twisted Proline : 0.00 % Twisted General : 0.68 % 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: -1.61 (0.09), residues: 7448 helix: -1.30 (0.08), residues: 3528 sheet: None (None), residues: 0 loop : -0.72 (0.10), residues: 3920 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.011 0.002 TRPAO 17 PHE 0.023 0.002 PHEAA 87 TYR 0.012 0.002 TYR s 70 ARG 0.004 0.001 ARG e 122 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 14592 Ramachandran restraints generated. 7296 Oldfield, 0 Emsley, 7296 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 14592 Ramachandran restraints generated. 7296 Oldfield, 0 Emsley, 7296 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 46 residues out of total 136 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 46 time to evaluate : 0.102 Fit side-chains revert: symmetry clash revert: symmetry clash REVERT: S 25 ASN cc_start: 0.7657 (m-40) cc_final: 0.7289 (m110) REVERT: S 36 GLN cc_start: 0.6597 (mt0) cc_final: 0.5946 (mt0) REVERT: S 47 GLN cc_start: 0.7527 (mt0) cc_final: 0.7284 (mt0) REVERT: S 49 SER cc_start: 0.8573 (t) cc_final: 0.8196 (p) REVERT: S 71 ARG cc_start: 0.8345 (tpt-90) cc_final: 0.8104 (tpt90) REVERT: S 136 THR cc_start: 0.7990 (p) cc_final: 0.7787 (p) outliers start: 0 outliers final: 0 residues processed: 46 average time/residue: 0.1429 time to fit residues: 7.1625 Evaluate side-chains 38 residues out of total 136 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 38 time to evaluate : 0.102 Evaluate side-chains 0 residues out of total 0 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 0 time to evaluate : 0.003 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 0.0031 Evaluate side-chains 0 residues out of total 0 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 0 time to evaluate : 0.002 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 735 random chunks: chunk 660 optimal weight: 30.0000 chunk 502 optimal weight: 10.0000 chunk 347 optimal weight: 20.0000 chunk 74 optimal weight: 0.0470 chunk 319 optimal weight: 0.5980 chunk 449 optimal weight: 0.8980 chunk 671 optimal weight: 0.0980 chunk 710 optimal weight: 10.0000 chunk 350 optimal weight: 8.9990 chunk 636 optimal weight: 0.1980 chunk 191 optimal weight: 1.9990 overall best weight: 0.3678 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** AS 9 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 0 Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.4644 moved from start: 0.9561 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.032 64239 Z= 0.186 Angle : 0.710 7.642 88396 Z= 0.388 Chirality : 0.045 0.264 10486 Planarity : 0.005 0.040 10927 Dihedral : 14.573 94.420 10143 Min Nonbonded Distance : 2.202 Molprobity Statistics. All-atom Clashscore : 0.66 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.29 % Favored : 96.71 % Rotamer: Outliers : 0.00 % Allowed : 2.21 % Favored : 97.79 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 14.29 % Cis-general : 1.37 % 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: -1.64 (0.09), residues: 7448 helix: -0.97 (0.08), residues: 3577 sheet: None (None), residues: 0 loop : -1.12 (0.09), residues: 3871 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.005 0.001 TRPAI 52 PHE 0.007 0.001 PHEAI 10 TYR 0.012 0.001 TYR s 70 ARG 0.002 0.000 ARG F 41 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 14288 Ramachandran restraints generated. 7144 Oldfield, 0 Emsley, 7144 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 14288 Ramachandran restraints generated. 7144 Oldfield, 0 Emsley, 7144 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 53 residues out of total 136 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 53 time to evaluate : 0.106 Fit side-chains REVERT: AS 25 ASN cc_start: 0.7953 (m-40) cc_final: 0.7668 (m110) REVERT: AS 38 GLN cc_start: 0.7138 (tp-100) cc_final: 0.6573 (mt0) REVERT: AS 47 GLN cc_start: 0.8020 (mt0) cc_final: 0.7645 (mt0) REVERT: AS 48 PHE cc_start: 0.8692 (m-10) cc_final: 0.8411 (m-80) REVERT: AS 49 SER cc_start: 0.8990 (t) cc_final: 0.8717 (p) REVERT: AS 127 ASN cc_start: 0.9196 (t0) cc_final: 0.8613 (t0) outliers start: 0 outliers final: 0 residues processed: 53 average time/residue: 0.1058 time to fit residues: 6.2323 Evaluate side-chains 44 residues out of total 136 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 44 time to evaluate : 0.100 Evaluate side-chains 0 residues out of total 0 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 0 time to evaluate : 0.002 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 0.0031 Evaluate side-chains 0 residues out of total 0 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 0 time to evaluate : 0.002 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 735 random chunks: chunk 591 optimal weight: 0.8980 chunk 403 optimal weight: 9.9990 chunk 10 optimal weight: 10.0000 chunk 528 optimal weight: 0.2980 chunk 293 optimal weight: 0.0060 chunk 606 optimal weight: 0.0060 chunk 491 optimal weight: 4.9990 chunk 0 optimal weight: 20.0000 chunk 362 optimal weight: 20.0000 chunk 637 optimal weight: 10.0000 chunk 179 optimal weight: 5.9990 overall best weight: 1.2414 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** AS 9 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AS 38 GLN Total number of N/Q/H flips: 1 Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.4648 moved from start: 1.0135 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.032 64239 Z= 0.182 Angle : 0.705 7.997 88396 Z= 0.377 Chirality : 0.044 0.247 10486 Planarity : 0.005 0.027 10927 Dihedral : 14.913 115.753 10143 Min Nonbonded Distance : 2.190 Molprobity Statistics. All-atom Clashscore : 0.05 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.61 % Favored : 95.39 % Rotamer: Outliers : 0.00 % Allowed : 0.74 % Favored : 99.26 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 14.29 % Cis-general : 1.37 % 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: -1.68 (0.09), residues: 7448 helix: -1.32 (0.08), residues: 3283 sheet: None (None), residues: 0 loop : -0.86 (0.09), residues: 4165 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.005 0.001 TRPAA 52 PHE 0.025 0.002 PHEA2 87 TYR 0.008 0.001 TYR k 70 ARG 0.003 0.001 ARGAC 134 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 14288 Ramachandran restraints generated. 7144 Oldfield, 0 Emsley, 7144 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 14288 Ramachandran restraints generated. 7144 Oldfield, 0 Emsley, 7144 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 52 residues out of total 136 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 52 time to evaluate : 0.104 Fit side-chains revert: symmetry clash REVERT: AS 25 ASN cc_start: 0.8041 (m-40) cc_final: 0.7788 (m110) REVERT: AS 38 GLN cc_start: 0.7354 (tp40) cc_final: 0.6839 (mt0) REVERT: AS 47 GLN cc_start: 0.7533 (mt0) cc_final: 0.7138 (mt0) REVERT: AS 79 LEU cc_start: 0.9012 (mt) cc_final: 0.8617 (mt) REVERT: AS 127 ASN cc_start: 0.9275 (t0) cc_final: 0.9068 (t0) outliers start: 0 outliers final: 0 residues processed: 52 average time/residue: 0.1040 time to fit residues: 6.0304 Evaluate side-chains 40 residues out of total 136 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 40 time to evaluate : 0.100 Evaluate side-chains 0 residues out of total 0 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 0 time to evaluate : 0.002 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 0.0031 Evaluate side-chains 0 residues out of total 0 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 0 time to evaluate : 0.002 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 735 random chunks: chunk 239 optimal weight: 0.0010 chunk 639 optimal weight: 5.9990 chunk 140 optimal weight: 2.9990 chunk 417 optimal weight: 4.9990 chunk 175 optimal weight: 40.0000 chunk 711 optimal weight: 0.9980 chunk 590 optimal weight: 7.9990 chunk 329 optimal weight: 3.9990 chunk 59 optimal weight: 0.6980 chunk 235 optimal weight: 0.0970 chunk 373 optimal weight: 20.0000 overall best weight: 0.9586 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** AS 9 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 0 Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.4635 moved from start: 1.0655 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.030 64239 Z= 0.172 Angle : 0.668 8.085 88396 Z= 0.356 Chirality : 0.044 0.243 10486 Planarity : 0.005 0.024 10927 Dihedral : 14.617 112.958 10143 Min Nonbonded Distance : 2.156 Molprobity Statistics. All-atom Clashscore : 0.00 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.29 % Favored : 96.71 % Rotamer: Outliers : 0.00 % Allowed : 0.74 % Favored : 99.26 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 14.29 % Cis-general : 1.37 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.52 (0.09), residues: 7448 helix: -1.04 (0.08), residues: 3283 sheet: None (None), residues: 0 loop : -0.90 (0.09), residues: 4165 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.005 0.001 TRPAC 152 PHE 0.008 0.001 PHE i 10 TYR 0.006 0.001 TYRA4 70 ARG 0.004 0.001 ARGAI 71 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 14288 Ramachandran restraints generated. 7144 Oldfield, 0 Emsley, 7144 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 14288 Ramachandran restraints generated. 7144 Oldfield, 0 Emsley, 7144 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 47 residues out of total 136 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 47 time to evaluate : 0.104 Fit side-chains revert: symmetry clash REVERT: AS 25 ASN cc_start: 0.8086 (m-40) cc_final: 0.7769 (m110) REVERT: AS 79 LEU cc_start: 0.8879 (mt) cc_final: 0.8488 (mt) REVERT: AS 127 ASN cc_start: 0.9269 (t0) cc_final: 0.9011 (t0) REVERT: AS 142 SER cc_start: 0.9263 (t) cc_final: 0.8957 (m) outliers start: 0 outliers final: 0 residues processed: 47 average time/residue: 0.1023 time to fit residues: 5.3906 Evaluate side-chains 38 residues out of total 136 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 38 time to evaluate : 0.104 Evaluate side-chains 0 residues out of total 0 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 0 time to evaluate : 0.003 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 0.0031 Evaluate side-chains 0 residues out of total 0 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 0 time to evaluate : 0.002 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 735 random chunks: chunk 685 optimal weight: 5.9990 chunk 80 optimal weight: 7.9990 chunk 405 optimal weight: 20.0000 chunk 519 optimal weight: 5.9990 chunk 402 optimal weight: 3.9990 chunk 598 optimal weight: 20.0000 chunk 397 optimal weight: 9.9990 chunk 708 optimal weight: 7.9990 chunk 443 optimal weight: 1.9990 chunk 431 optimal weight: 4.9990 chunk 327 optimal weight: 1.9990 overall best weight: 3.7990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** AS 9 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 0 Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.4769 moved from start: 1.1231 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.027 64239 Z= 0.183 Angle : 0.688 8.163 88396 Z= 0.367 Chirality : 0.043 0.244 10486 Planarity : 0.006 0.045 10927 Dihedral : 13.643 88.223 10143 Min Nonbonded Distance : 2.111 Molprobity Statistics. All-atom Clashscore : 0.36 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.61 % Favored : 95.39 % Rotamer: Outliers : 0.00 % Allowed : 1.47 % Favored : 98.53 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 14.29 % Cis-general : 1.37 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.26 (0.09), residues: 7448 helix: -0.59 (0.09), residues: 3283 sheet: None (None), residues: 0 loop : -0.98 (0.09), residues: 4165 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.006 0.002 TRP k 17 PHE 0.009 0.001 PHE o 10 TYR 0.003 0.001 TYRAI 70 ARG 0.004 0.001 ARGAU 61 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 14288 Ramachandran restraints generated. 7144 Oldfield, 0 Emsley, 7144 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 14288 Ramachandran restraints generated. 7144 Oldfield, 0 Emsley, 7144 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 48 residues out of total 136 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 48 time to evaluate : 0.106 Fit side-chains revert: symmetry clash revert: symmetry clash REVERT: AS 25 ASN cc_start: 0.8240 (m-40) cc_final: 0.7804 (m110) REVERT: AS 79 LEU cc_start: 0.8978 (mt) cc_final: 0.8673 (mt) REVERT: AS 134 ARG cc_start: 0.6403 (mtt-85) cc_final: 0.5485 (mmt180) REVERT: AS 142 SER cc_start: 0.9254 (t) cc_final: 0.8907 (m) outliers start: 0 outliers final: 0 residues processed: 48 average time/residue: 0.0974 time to fit residues: 5.2604 Evaluate side-chains 39 residues out of total 136 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 39 time to evaluate : 0.103 Evaluate side-chains 0 residues out of total 0 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 0 time to evaluate : 0.002 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 0.0034 Evaluate side-chains 0 residues out of total 0 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 0 time to evaluate : 0.002 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 735 random chunks: chunk 438 optimal weight: 0.3980 chunk 282 optimal weight: 1.9990 chunk 423 optimal weight: 8.9990 chunk 213 optimal weight: 5.9990 chunk 139 optimal weight: 0.9990 chunk 137 optimal weight: 20.0000 chunk 450 optimal weight: 20.0000 chunk 482 optimal weight: 9.9990 chunk 350 optimal weight: 8.9990 chunk 66 optimal weight: 6.9990 chunk 556 optimal weight: 0.0870 overall best weight: 1.8964 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.4754 moved from start: 1.1811 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.028 64239 Z= 0.163 Angle : 0.681 8.148 88396 Z= 0.360 Chirality : 0.043 0.242 10486 Planarity : 0.005 0.028 10927 Dihedral : 13.599 88.025 10143 Min Nonbonded Distance : 2.152 Molprobity Statistics. All-atom Clashscore : 0.00 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.63 % Favored : 97.37 % Rotamer: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 14.29 % Cis-general : 1.37 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.96 (0.09), residues: 7448 helix: -0.45 (0.09), residues: 3332 sheet: None (None), residues: 0 loop : -0.72 (0.09), residues: 4116 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.009 0.001 TRP k 17 PHE 0.017 0.001 PHE L 10 TYR 0.007 0.001 TYR A 70 ARG 0.005 0.001 ARG i 134 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 14288 Ramachandran restraints generated. 7144 Oldfield, 0 Emsley, 7144 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 14288 Ramachandran restraints generated. 7144 Oldfield, 0 Emsley, 7144 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 45 residues out of total 136 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 45 time to evaluate : 0.103 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: AS 12 PHE cc_start: 0.8417 (m-10) cc_final: 0.7913 (m-10) REVERT: AS 25 ASN cc_start: 0.8178 (m-40) cc_final: 0.7750 (m110) outliers start: 0 outliers final: 0 residues processed: 45 average time/residue: 0.1017 time to fit residues: 5.2213 Evaluate side-chains 42 residues out of total 136 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 42 time to evaluate : 0.102 Evaluate side-chains 0 residues out of total 0 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 0 time to evaluate : 0.002 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 0.0032 Evaluate side-chains 0 residues out of total 0 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 0 time to evaluate : 0.002 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 735 random chunks: chunk 644 optimal weight: 0.0970 chunk 678 optimal weight: 10.0000 chunk 619 optimal weight: 0.2980 chunk 660 optimal weight: 20.0000 chunk 397 optimal weight: 9.9990 chunk 287 optimal weight: 20.0000 chunk 518 optimal weight: 0.6980 chunk 202 optimal weight: 9.9990 chunk 596 optimal weight: 0.5980 chunk 624 optimal weight: 8.9990 chunk 657 optimal weight: 0.9990 overall best weight: 0.5380 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: AS 9 GLN Total number of N/Q/H flips: 1 Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.4716 moved from start: 1.2071 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.033 64239 Z= 0.168 Angle : 0.672 8.001 88396 Z= 0.352 Chirality : 0.043 0.230 10486 Planarity : 0.004 0.027 10927 Dihedral : 13.442 86.959 10143 Min Nonbonded Distance : 2.184 Molprobity Statistics. All-atom Clashscore : 0.00 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.95 % Favored : 96.05 % Rotamer: Outliers : 0.00 % Allowed : 0.00 % Favored : 100.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 14.29 % Cis-general : 1.37 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.80 (0.09), residues: 7448 helix: -0.21 (0.09), residues: 3283 sheet: None (None), residues: 0 loop : -0.74 (0.09), residues: 4165 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.007 0.001 TRPAA 52 PHE 0.016 0.001 PHE H 10 TYR 0.007 0.001 TYR W 70 ARG 0.004 0.001 ARGA0 134 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 14288 Ramachandran restraints generated. 7144 Oldfield, 0 Emsley, 7144 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 14288 Ramachandran restraints generated. 7144 Oldfield, 0 Emsley, 7144 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 45 residues out of total 136 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 45 time to evaluate : 0.107 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: AS 25 ASN cc_start: 0.8186 (m-40) cc_final: 0.7641 (m110) outliers start: 0 outliers final: 0 residues processed: 45 average time/residue: 0.0961 time to fit residues: 4.8815 Evaluate side-chains 41 residues out of total 136 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 41 time to evaluate : 0.101 Evaluate side-chains 0 residues out of total 0 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 0 time to evaluate : 0.003 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 0.0031 Evaluate side-chains 0 residues out of total 0 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 0 time to evaluate : 0.002 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 735 random chunks: chunk 433 optimal weight: 9.9990 chunk 698 optimal weight: 1.9990 chunk 426 optimal weight: 6.9990 chunk 331 optimal weight: 10.0000 chunk 485 optimal weight: 1.9990 chunk 732 optimal weight: 8.9990 chunk 673 optimal weight: 9.9990 chunk 583 optimal weight: 9.9990 chunk 60 optimal weight: 30.0000 chunk 450 optimal weight: 20.0000 chunk 357 optimal weight: 2.9990 overall best weight: 4.5990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: AS 9 GLN Total number of N/Q/H flips: 1 Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.4895 moved from start: 1.2479 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.027 64239 Z= 0.193 Angle : 0.671 8.011 88396 Z= 0.358 Chirality : 0.042 0.234 10486 Planarity : 0.006 0.040 10927 Dihedral : 13.518 87.160 10143 Min Nonbonded Distance : 2.109 Molprobity Statistics. All-atom Clashscore : 0.00 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.29 % Favored : 96.71 % Rotamer: Outliers : 0.00 % Allowed : 1.47 % Favored : 98.53 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 14.29 % Cis-general : 1.37 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.89 (0.09), residues: 7448 helix: -0.13 (0.09), residues: 3332 sheet: None (None), residues: 0 loop : -0.94 (0.09), residues: 4116 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.008 0.002 TRP m 52 PHE 0.011 0.002 PHE S 144 TYR 0.008 0.002 TYRAO 72 ARG 0.004 0.001 ARG m 134 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 14288 Ramachandran restraints generated. 7144 Oldfield, 0 Emsley, 7144 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 14288 Ramachandran restraints generated. 7144 Oldfield, 0 Emsley, 7144 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 45 residues out of total 136 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 45 time to evaluate : 0.106 Fit side-chains revert: symmetry clash revert: symmetry clash REVERT: AS 25 ASN cc_start: 0.8110 (m-40) cc_final: 0.7694 (m110) REVERT: AS 27 CYS cc_start: 0.8342 (t) cc_final: 0.8046 (t) REVERT: AS 142 SER cc_start: 0.8750 (m) cc_final: 0.8531 (t) outliers start: 0 outliers final: 0 residues processed: 45 average time/residue: 0.0942 time to fit residues: 4.8032 Evaluate side-chains 40 residues out of total 136 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 40 time to evaluate : 0.100 Evaluate side-chains 0 residues out of total 0 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 0 time to evaluate : 0.002 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 0.0031 Evaluate side-chains 0 residues out of total 0 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 0 time to evaluate : 0.002 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 735 random chunks: chunk 463 optimal weight: 20.0000 chunk 621 optimal weight: 6.9990 chunk 178 optimal weight: 20.0000 chunk 537 optimal weight: 0.9990 chunk 86 optimal weight: 9.9990 chunk 162 optimal weight: 3.9990 chunk 584 optimal weight: 40.0000 chunk 244 optimal weight: 0.0040 chunk 599 optimal weight: 30.0000 chunk 73 optimal weight: 7.9990 chunk 107 optimal weight: 2.9990 overall best weight: 3.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Update NCS operators ******************** ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.4216 r_free = 0.4216 target = 0.185646 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 48)----------------| | r_work = 0.4017 r_free = 0.4017 target = 0.167258 restraints weight = 1941.036| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 22)----------------| | r_work = 0.4017 r_free = 0.4017 target = 0.167258 restraints weight = 1819.275| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 22)----------------| | r_work = 0.4017 r_free = 0.4017 target = 0.167258 restraints weight = 1819.273| |-----------------------------------------------------------------------------| r_work (final): 0.3921 |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3632 r_free = 0.3632 target = 0.152308 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 25)----------------| | r_work = 0.3573 r_free = 0.3573 target = 0.147539 restraints weight = 104.660| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 28)----------------| | r_work = 0.3600 r_free = 0.3600 target = 0.149760 restraints weight = 28.508| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 28)----------------| | r_work = 0.3608 r_free = 0.3608 target = 0.150699 restraints weight = 12.070| |-----------------------------------------------------------------------------| r_work (final): 0.3520 ------------------------------------------------------------------------------- Occupancy refinement ******************** Sorry: Duplicate selection for occupancies.