Starting phenix.real_space_refine (version: dev) on Tue Dec 20 03:00:18 2022 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/3j9r_6271/12_2022/3j9r_6271.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/3j9r_6271/12_2022/3j9r_6271.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=3.9 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/3j9r_6271/12_2022/3j9r_6271.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/3j9r_6271/12_2022/3j9r_6271.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/3j9r_6271/12_2022/3j9r_6271.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/3j9r_6271/12_2022/3j9r_6271.pdb" } resolution = 3.9 write_initial_geo_file = False refinement { macro_cycles = 10 } 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= 0.002 sd= 0.017 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 Convert atoms to be neutral Process input model Symmetric amino acids flipped Residue "A PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 13": "OD1" <-> "OD2" Residue "A ASP 54": "OD1" <-> "OD2" Residue "A PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 92": "OE1" <-> "OE2" Residue "A ASP 116": "OD1" <-> "OD2" Residue "A GLU 148": "OE1" <-> "OE2" Residue "A ASP 157": "OD1" <-> "OD2" Residue "A ASP 163": "OD1" <-> "OD2" Residue "A TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A GLU 214": "OE1" <-> "OE2" Residue "A PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 240": "OD1" <-> "OD2" Residue "A ASP 261": "OD1" <-> "OD2" Residue "A ASP 262": "OD1" <-> "OD2" Residue "A TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 288": "OD1" <-> "OD2" Residue "A TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 324": "OD1" <-> "OD2" Residue "A PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 341": "OD1" <-> "OD2" Residue "A PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ASP 361": "OD1" <-> "OD2" Residue "A GLU 373": "OE1" <-> "OE2" Residue "A ASP 384": "OD1" <-> "OD2" Residue "B PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ASP 13": "OD1" <-> "OD2" Residue "B ASP 54": "OD1" <-> "OD2" Residue "B PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 92": "OE1" <-> "OE2" Residue "B ASP 116": "OD1" <-> "OD2" Residue "B GLU 148": "OE1" <-> "OE2" Residue "B ASP 157": "OD1" <-> "OD2" Residue "B ASP 163": "OD1" <-> "OD2" Residue "B TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B GLU 214": "OE1" <-> "OE2" Residue "B PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ASP 240": "OD1" <-> "OD2" Residue "B ASP 261": "OD1" <-> "OD2" Residue "B ASP 262": "OD1" <-> "OD2" Residue "B TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ASP 288": "OD1" <-> "OD2" Residue "B TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ASP 324": "OD1" <-> "OD2" Residue "B PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ASP 341": "OD1" <-> "OD2" Residue "B PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ASP 361": "OD1" <-> "OD2" Residue "B GLU 373": "OE1" <-> "OE2" Residue "B ASP 384": "OD1" <-> "OD2" Residue "F PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ASP 13": "OD1" <-> "OD2" Residue "F ASP 54": "OD1" <-> "OD2" Residue "F PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F GLU 92": "OE1" <-> "OE2" Residue "F ASP 116": "OD1" <-> "OD2" Residue "F GLU 148": "OE1" <-> "OE2" Residue "F ASP 157": "OD1" <-> "OD2" Residue "F ASP 163": "OD1" <-> "OD2" Residue "F TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F GLU 214": "OE1" <-> "OE2" Residue "F PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ASP 240": "OD1" <-> "OD2" Residue "F ASP 261": "OD1" <-> "OD2" Residue "F ASP 262": "OD1" <-> "OD2" Residue "F TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ASP 288": "OD1" <-> "OD2" Residue "F TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ASP 324": "OD1" <-> "OD2" Residue "F PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ASP 341": "OD1" <-> "OD2" Residue "F PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ASP 361": "OD1" <-> "OD2" Residue "F GLU 373": "OE1" <-> "OE2" Residue "F ASP 384": "OD1" <-> "OD2" Residue "E PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ASP 13": "OD1" <-> "OD2" Residue "E ASP 54": "OD1" <-> "OD2" Residue "E PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 92": "OE1" <-> "OE2" Residue "E ASP 116": "OD1" <-> "OD2" Residue "E GLU 148": "OE1" <-> "OE2" Residue "E ASP 157": "OD1" <-> "OD2" Residue "E ASP 163": "OD1" <-> "OD2" Residue "E TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 214": "OE1" <-> "OE2" Residue "E PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ASP 240": "OD1" <-> "OD2" Residue "E ASP 261": "OD1" <-> "OD2" Residue "E ASP 262": "OD1" <-> "OD2" Residue "E TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ASP 288": "OD1" <-> "OD2" Residue "E TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ASP 324": "OD1" <-> "OD2" Residue "E PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ASP 341": "OD1" <-> "OD2" Residue "E PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ASP 361": "OD1" <-> "OD2" Residue "E GLU 373": "OE1" <-> "OE2" Residue "E ASP 384": "OD1" <-> "OD2" Residue "D PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 13": "OD1" <-> "OD2" Residue "D ASP 54": "OD1" <-> "OD2" Residue "D PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 92": "OE1" <-> "OE2" Residue "D ASP 116": "OD1" <-> "OD2" Residue "D GLU 148": "OE1" <-> "OE2" Residue "D ASP 157": "OD1" <-> "OD2" Residue "D ASP 163": "OD1" <-> "OD2" Residue "D TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 214": "OE1" <-> "OE2" Residue "D PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 240": "OD1" <-> "OD2" Residue "D ASP 261": "OD1" <-> "OD2" Residue "D ASP 262": "OD1" <-> "OD2" Residue "D TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 288": "OD1" <-> "OD2" Residue "D TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 324": "OD1" <-> "OD2" Residue "D PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 341": "OD1" <-> "OD2" Residue "D PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 361": "OD1" <-> "OD2" Residue "D GLU 373": "OE1" <-> "OE2" Residue "D ASP 384": "OD1" <-> "OD2" Residue "C PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 13": "OD1" <-> "OD2" Residue "C ASP 54": "OD1" <-> "OD2" Residue "C PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 92": "OE1" <-> "OE2" Residue "C ASP 116": "OD1" <-> "OD2" Residue "C GLU 148": "OE1" <-> "OE2" Residue "C ASP 157": "OD1" <-> "OD2" Residue "C ASP 163": "OD1" <-> "OD2" Residue "C TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 214": "OE1" <-> "OE2" Residue "C PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 240": "OD1" <-> "OD2" Residue "C ASP 261": "OD1" <-> "OD2" Residue "C ASP 262": "OD1" <-> "OD2" Residue "C TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 288": "OD1" <-> "OD2" Residue "C TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 324": "OD1" <-> "OD2" Residue "C PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 341": "OD1" <-> "OD2" Residue "C PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 361": "OD1" <-> "OD2" Residue "C GLU 373": "OE1" <-> "OE2" Residue "C ASP 384": "OD1" <-> "OD2" Residue "0 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 ASP 13": "OD1" <-> "OD2" Residue "0 ASP 54": "OD1" <-> "OD2" Residue "0 PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 GLU 92": "OE1" <-> "OE2" Residue "0 ASP 116": "OD1" <-> "OD2" Residue "0 GLU 148": "OE1" <-> "OE2" Residue "0 ASP 157": "OD1" <-> "OD2" Residue "0 ASP 163": "OD1" <-> "OD2" Residue "0 TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 GLU 214": "OE1" <-> "OE2" Residue "0 PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 ASP 240": "OD1" <-> "OD2" Residue "0 ASP 261": "OD1" <-> "OD2" Residue "0 ASP 262": "OD1" <-> "OD2" Residue "0 TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 ASP 288": "OD1" <-> "OD2" Residue "0 TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 ASP 324": "OD1" <-> "OD2" Residue "0 PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 ASP 341": "OD1" <-> "OD2" Residue "0 PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 ASP 361": "OD1" <-> "OD2" Residue "0 GLU 373": "OE1" <-> "OE2" Residue "0 ASP 384": "OD1" <-> "OD2" Residue "1 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ASP 13": "OD1" <-> "OD2" Residue "1 ASP 54": "OD1" <-> "OD2" Residue "1 PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 GLU 92": "OE1" <-> "OE2" Residue "1 ASP 116": "OD1" <-> "OD2" Residue "1 GLU 148": "OE1" <-> "OE2" Residue "1 ASP 157": "OD1" <-> "OD2" Residue "1 ASP 163": "OD1" <-> "OD2" Residue "1 TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 GLU 214": "OE1" <-> "OE2" Residue "1 PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ASP 240": "OD1" <-> "OD2" Residue "1 ASP 261": "OD1" <-> "OD2" Residue "1 ASP 262": "OD1" <-> "OD2" Residue "1 TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ASP 288": "OD1" <-> "OD2" Residue "1 TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ASP 324": "OD1" <-> "OD2" Residue "1 PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ASP 341": "OD1" <-> "OD2" Residue "1 PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ASP 361": "OD1" <-> "OD2" Residue "1 GLU 373": "OE1" <-> "OE2" Residue "1 ASP 384": "OD1" <-> "OD2" Residue "5 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 ASP 13": "OD1" <-> "OD2" Residue "5 ASP 54": "OD1" <-> "OD2" Residue "5 PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 GLU 92": "OE1" <-> "OE2" Residue "5 ASP 116": "OD1" <-> "OD2" Residue "5 GLU 148": "OE1" <-> "OE2" Residue "5 ASP 157": "OD1" <-> "OD2" Residue "5 ASP 163": "OD1" <-> "OD2" Residue "5 TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 GLU 214": "OE1" <-> "OE2" Residue "5 PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 ASP 240": "OD1" <-> "OD2" Residue "5 ASP 261": "OD1" <-> "OD2" Residue "5 ASP 262": "OD1" <-> "OD2" Residue "5 TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 ASP 288": "OD1" <-> "OD2" Residue "5 TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 ASP 324": "OD1" <-> "OD2" Residue "5 PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 ASP 341": "OD1" <-> "OD2" Residue "5 PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 ASP 361": "OD1" <-> "OD2" Residue "5 GLU 373": "OE1" <-> "OE2" Residue "5 ASP 384": "OD1" <-> "OD2" Residue "4 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 ASP 13": "OD1" <-> "OD2" Residue "4 ASP 54": "OD1" <-> "OD2" Residue "4 PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 GLU 92": "OE1" <-> "OE2" Residue "4 ASP 116": "OD1" <-> "OD2" Residue "4 GLU 148": "OE1" <-> "OE2" Residue "4 ASP 157": "OD1" <-> "OD2" Residue "4 ASP 163": "OD1" <-> "OD2" Residue "4 TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 GLU 214": "OE1" <-> "OE2" Residue "4 PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 ASP 240": "OD1" <-> "OD2" Residue "4 ASP 261": "OD1" <-> "OD2" Residue "4 ASP 262": "OD1" <-> "OD2" Residue "4 TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 ASP 288": "OD1" <-> "OD2" Residue "4 TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 ASP 324": "OD1" <-> "OD2" Residue "4 PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 ASP 341": "OD1" <-> "OD2" Residue "4 PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 ASP 361": "OD1" <-> "OD2" Residue "4 GLU 373": "OE1" <-> "OE2" Residue "4 ASP 384": "OD1" <-> "OD2" Residue "3 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ASP 13": "OD1" <-> "OD2" Residue "3 ASP 54": "OD1" <-> "OD2" Residue "3 PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 GLU 92": "OE1" <-> "OE2" Residue "3 ASP 116": "OD1" <-> "OD2" Residue "3 GLU 148": "OE1" <-> "OE2" Residue "3 ASP 157": "OD1" <-> "OD2" Residue "3 ASP 163": "OD1" <-> "OD2" Residue "3 TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 GLU 214": "OE1" <-> "OE2" Residue "3 PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ASP 240": "OD1" <-> "OD2" Residue "3 ASP 261": "OD1" <-> "OD2" Residue "3 ASP 262": "OD1" <-> "OD2" Residue "3 TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ASP 288": "OD1" <-> "OD2" Residue "3 TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ASP 324": "OD1" <-> "OD2" Residue "3 PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ASP 341": "OD1" <-> "OD2" Residue "3 PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ASP 361": "OD1" <-> "OD2" Residue "3 GLU 373": "OE1" <-> "OE2" Residue "3 ASP 384": "OD1" <-> "OD2" Residue "2 PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 ASP 13": "OD1" <-> "OD2" Residue "2 ASP 54": "OD1" <-> "OD2" Residue "2 PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 GLU 92": "OE1" <-> "OE2" Residue "2 ASP 116": "OD1" <-> "OD2" Residue "2 GLU 148": "OE1" <-> "OE2" Residue "2 ASP 157": "OD1" <-> "OD2" Residue "2 ASP 163": "OD1" <-> "OD2" Residue "2 TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 GLU 214": "OE1" <-> "OE2" Residue "2 PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 ASP 240": "OD1" <-> "OD2" Residue "2 ASP 261": "OD1" <-> "OD2" Residue "2 ASP 262": "OD1" <-> "OD2" Residue "2 TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 ASP 288": "OD1" <-> "OD2" Residue "2 TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 ASP 324": "OD1" <-> "OD2" Residue "2 PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 ASP 341": "OD1" <-> "OD2" Residue "2 PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 ASP 361": "OD1" <-> "OD2" Residue "2 GLU 373": "OE1" <-> "OE2" Residue "2 ASP 384": "OD1" <-> "OD2" Residue "G PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 13": "OD1" <-> "OD2" Residue "G ASP 54": "OD1" <-> "OD2" Residue "G PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 92": "OE1" <-> "OE2" Residue "G ASP 116": "OD1" <-> "OD2" Residue "G GLU 148": "OE1" <-> "OE2" Residue "G ASP 157": "OD1" <-> "OD2" Residue "G ASP 163": "OD1" <-> "OD2" Residue "G TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 214": "OE1" <-> "OE2" Residue "G PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 240": "OD1" <-> "OD2" Residue "G ASP 261": "OD1" <-> "OD2" Residue "G ASP 262": "OD1" <-> "OD2" Residue "G TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 288": "OD1" <-> "OD2" Residue "G TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 324": "OD1" <-> "OD2" Residue "G PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 341": "OD1" <-> "OD2" Residue "G PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 361": "OD1" <-> "OD2" Residue "G GLU 373": "OE1" <-> "OE2" Residue "G ASP 384": "OD1" <-> "OD2" Residue "H PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H ASP 13": "OD1" <-> "OD2" Residue "H ASP 54": "OD1" <-> "OD2" Residue "H PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H GLU 92": "OE1" <-> "OE2" Residue "H ASP 116": "OD1" <-> "OD2" Residue "H GLU 148": "OE1" <-> "OE2" Residue "H ASP 157": "OD1" <-> "OD2" Residue "H ASP 163": "OD1" <-> "OD2" Residue "H TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H GLU 214": "OE1" <-> "OE2" Residue "H PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H ASP 240": "OD1" <-> "OD2" Residue "H ASP 261": "OD1" <-> "OD2" Residue "H ASP 262": "OD1" <-> "OD2" Residue "H TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H ASP 288": "OD1" <-> "OD2" Residue "H TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H ASP 324": "OD1" <-> "OD2" Residue "H PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H ASP 341": "OD1" <-> "OD2" Residue "H PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H ASP 361": "OD1" <-> "OD2" Residue "H GLU 373": "OE1" <-> "OE2" Residue "H ASP 384": "OD1" <-> "OD2" Residue "L PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ASP 13": "OD1" <-> "OD2" Residue "L ASP 54": "OD1" <-> "OD2" Residue "L PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L GLU 92": "OE1" <-> "OE2" Residue "L ASP 116": "OD1" <-> "OD2" Residue "L GLU 148": "OE1" <-> "OE2" Residue "L ASP 157": "OD1" <-> "OD2" Residue "L ASP 163": "OD1" <-> "OD2" Residue "L TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L GLU 214": "OE1" <-> "OE2" Residue "L PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ASP 240": "OD1" <-> "OD2" Residue "L ASP 261": "OD1" <-> "OD2" Residue "L ASP 262": "OD1" <-> "OD2" Residue "L TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ASP 288": "OD1" <-> "OD2" Residue "L TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ASP 324": "OD1" <-> "OD2" Residue "L PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ASP 341": "OD1" <-> "OD2" Residue "L PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ASP 361": "OD1" <-> "OD2" Residue "L GLU 373": "OE1" <-> "OE2" Residue "L ASP 384": "OD1" <-> "OD2" Residue "K PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ASP 13": "OD1" <-> "OD2" Residue "K ASP 54": "OD1" <-> "OD2" Residue "K PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K GLU 92": "OE1" <-> "OE2" Residue "K ASP 116": "OD1" <-> "OD2" Residue "K GLU 148": "OE1" <-> "OE2" Residue "K ASP 157": "OD1" <-> "OD2" Residue "K ASP 163": "OD1" <-> "OD2" Residue "K TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K GLU 214": "OE1" <-> "OE2" Residue "K PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ASP 240": "OD1" <-> "OD2" Residue "K ASP 261": "OD1" <-> "OD2" Residue "K ASP 262": "OD1" <-> "OD2" Residue "K TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ASP 288": "OD1" <-> "OD2" Residue "K TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ASP 324": "OD1" <-> "OD2" Residue "K PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ASP 341": "OD1" <-> "OD2" Residue "K PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ASP 361": "OD1" <-> "OD2" Residue "K GLU 373": "OE1" <-> "OE2" Residue "K ASP 384": "OD1" <-> "OD2" Residue "J PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 13": "OD1" <-> "OD2" Residue "J ASP 54": "OD1" <-> "OD2" Residue "J PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J GLU 92": "OE1" <-> "OE2" Residue "J ASP 116": "OD1" <-> "OD2" Residue "J GLU 148": "OE1" <-> "OE2" Residue "J ASP 157": "OD1" <-> "OD2" Residue "J ASP 163": "OD1" <-> "OD2" Residue "J TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J GLU 214": "OE1" <-> "OE2" Residue "J PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 240": "OD1" <-> "OD2" Residue "J ASP 261": "OD1" <-> "OD2" Residue "J ASP 262": "OD1" <-> "OD2" Residue "J TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 288": "OD1" <-> "OD2" Residue "J TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 324": "OD1" <-> "OD2" Residue "J PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 341": "OD1" <-> "OD2" Residue "J PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 361": "OD1" <-> "OD2" Residue "J GLU 373": "OE1" <-> "OE2" Residue "J ASP 384": "OD1" <-> "OD2" Residue "I PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ASP 13": "OD1" <-> "OD2" Residue "I ASP 54": "OD1" <-> "OD2" Residue "I PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I GLU 92": "OE1" <-> "OE2" Residue "I ASP 116": "OD1" <-> "OD2" Residue "I GLU 148": "OE1" <-> "OE2" Residue "I ASP 157": "OD1" <-> "OD2" Residue "I ASP 163": "OD1" <-> "OD2" Residue "I TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I GLU 214": "OE1" <-> "OE2" Residue "I PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ASP 240": "OD1" <-> "OD2" Residue "I ASP 261": "OD1" <-> "OD2" Residue "I ASP 262": "OD1" <-> "OD2" Residue "I TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ASP 288": "OD1" <-> "OD2" Residue "I TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ASP 324": "OD1" <-> "OD2" Residue "I PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ASP 341": "OD1" <-> "OD2" Residue "I PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ASP 361": "OD1" <-> "OD2" Residue "I GLU 373": "OE1" <-> "OE2" Residue "I ASP 384": "OD1" <-> "OD2" Residue "M PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ASP 13": "OD1" <-> "OD2" Residue "M ASP 54": "OD1" <-> "OD2" Residue "M PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M GLU 92": "OE1" <-> "OE2" Residue "M ASP 116": "OD1" <-> "OD2" Residue "M GLU 148": "OE1" <-> "OE2" Residue "M ASP 157": "OD1" <-> "OD2" Residue "M ASP 163": "OD1" <-> "OD2" Residue "M TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M GLU 214": "OE1" <-> "OE2" Residue "M PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ASP 240": "OD1" <-> "OD2" Residue "M ASP 261": "OD1" <-> "OD2" Residue "M ASP 262": "OD1" <-> "OD2" Residue "M TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ASP 288": "OD1" <-> "OD2" Residue "M TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ASP 324": "OD1" <-> "OD2" Residue "M PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ASP 341": "OD1" <-> "OD2" Residue "M PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ASP 361": "OD1" <-> "OD2" Residue "M GLU 373": "OE1" <-> "OE2" Residue "M ASP 384": "OD1" <-> "OD2" Residue "N PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ASP 13": "OD1" <-> "OD2" Residue "N ASP 54": "OD1" <-> "OD2" Residue "N PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N GLU 92": "OE1" <-> "OE2" Residue "N ASP 116": "OD1" <-> "OD2" Residue "N GLU 148": "OE1" <-> "OE2" Residue "N ASP 157": "OD1" <-> "OD2" Residue "N ASP 163": "OD1" <-> "OD2" Residue "N TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N GLU 214": "OE1" <-> "OE2" Residue "N PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ASP 240": "OD1" <-> "OD2" Residue "N ASP 261": "OD1" <-> "OD2" Residue "N ASP 262": "OD1" <-> "OD2" Residue "N TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ASP 288": "OD1" <-> "OD2" Residue "N TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ASP 324": "OD1" <-> "OD2" Residue "N PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ASP 341": "OD1" <-> "OD2" Residue "N PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ASP 361": "OD1" <-> "OD2" Residue "N GLU 373": "OE1" <-> "OE2" Residue "N ASP 384": "OD1" <-> "OD2" Residue "R PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R ASP 13": "OD1" <-> "OD2" Residue "R ASP 54": "OD1" <-> "OD2" Residue "R PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R GLU 92": "OE1" <-> "OE2" Residue "R ASP 116": "OD1" <-> "OD2" Residue "R GLU 148": "OE1" <-> "OE2" Residue "R ASP 157": "OD1" <-> "OD2" Residue "R ASP 163": "OD1" <-> "OD2" Residue "R TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R GLU 214": "OE1" <-> "OE2" Residue "R PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R ASP 240": "OD1" <-> "OD2" Residue "R ASP 261": "OD1" <-> "OD2" Residue "R ASP 262": "OD1" <-> "OD2" Residue "R TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R ASP 288": "OD1" <-> "OD2" Residue "R TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R ASP 324": "OD1" <-> "OD2" Residue "R PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R ASP 341": "OD1" <-> "OD2" Residue "R PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R ASP 361": "OD1" <-> "OD2" Residue "R GLU 373": "OE1" <-> "OE2" Residue "R ASP 384": "OD1" <-> "OD2" Residue "Q PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q ASP 13": "OD1" <-> "OD2" Residue "Q ASP 54": "OD1" <-> "OD2" Residue "Q PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q GLU 92": "OE1" <-> "OE2" Residue "Q ASP 116": "OD1" <-> "OD2" Residue "Q GLU 148": "OE1" <-> "OE2" Residue "Q ASP 157": "OD1" <-> "OD2" Residue "Q ASP 163": "OD1" <-> "OD2" Residue "Q TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q GLU 214": "OE1" <-> "OE2" Residue "Q PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q ASP 240": "OD1" <-> "OD2" Residue "Q ASP 261": "OD1" <-> "OD2" Residue "Q ASP 262": "OD1" <-> "OD2" Residue "Q TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q ASP 288": "OD1" <-> "OD2" Residue "Q TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q ASP 324": "OD1" <-> "OD2" Residue "Q PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q ASP 341": "OD1" <-> "OD2" Residue "Q PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q ASP 361": "OD1" <-> "OD2" Residue "Q GLU 373": "OE1" <-> "OE2" Residue "Q ASP 384": "OD1" <-> "OD2" Residue "P PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ASP 13": "OD1" <-> "OD2" Residue "P ASP 54": "OD1" <-> "OD2" Residue "P PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P GLU 92": "OE1" <-> "OE2" Residue "P ASP 116": "OD1" <-> "OD2" Residue "P GLU 148": "OE1" <-> "OE2" Residue "P ASP 157": "OD1" <-> "OD2" Residue "P ASP 163": "OD1" <-> "OD2" Residue "P TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P GLU 214": "OE1" <-> "OE2" Residue "P PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ASP 240": "OD1" <-> "OD2" Residue "P ASP 261": "OD1" <-> "OD2" Residue "P ASP 262": "OD1" <-> "OD2" Residue "P TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ASP 288": "OD1" <-> "OD2" Residue "P TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ASP 324": "OD1" <-> "OD2" Residue "P PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ASP 341": "OD1" <-> "OD2" Residue "P PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ASP 361": "OD1" <-> "OD2" Residue "P GLU 373": "OE1" <-> "OE2" Residue "P ASP 384": "OD1" <-> "OD2" Residue "O PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ASP 13": "OD1" <-> "OD2" Residue "O ASP 54": "OD1" <-> "OD2" Residue "O PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O GLU 92": "OE1" <-> "OE2" Residue "O ASP 116": "OD1" <-> "OD2" Residue "O GLU 148": "OE1" <-> "OE2" Residue "O ASP 157": "OD1" <-> "OD2" Residue "O ASP 163": "OD1" <-> "OD2" Residue "O TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O GLU 214": "OE1" <-> "OE2" Residue "O PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ASP 240": "OD1" <-> "OD2" Residue "O ASP 261": "OD1" <-> "OD2" Residue "O ASP 262": "OD1" <-> "OD2" Residue "O TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ASP 288": "OD1" <-> "OD2" Residue "O TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ASP 324": "OD1" <-> "OD2" Residue "O PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ASP 341": "OD1" <-> "OD2" Residue "O PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ASP 361": "OD1" <-> "OD2" Residue "O GLU 373": "OE1" <-> "OE2" Residue "O ASP 384": "OD1" <-> "OD2" Residue "a PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a ASP 13": "OD1" <-> "OD2" Residue "a ASP 54": "OD1" <-> "OD2" Residue "a PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a GLU 92": "OE1" <-> "OE2" Residue "a ASP 116": "OD1" <-> "OD2" Residue "a GLU 148": "OE1" <-> "OE2" Residue "a ASP 157": "OD1" <-> "OD2" Residue "a ASP 163": "OD1" <-> "OD2" Residue "a TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a GLU 214": "OE1" <-> "OE2" Residue "a PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a ASP 240": "OD1" <-> "OD2" Residue "a ASP 261": "OD1" <-> "OD2" Residue "a ASP 262": "OD1" <-> "OD2" Residue "a TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a ASP 288": "OD1" <-> "OD2" Residue "a TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a ASP 324": "OD1" <-> "OD2" Residue "a PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a ASP 341": "OD1" <-> "OD2" Residue "a PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a ASP 361": "OD1" <-> "OD2" Residue "a GLU 373": "OE1" <-> "OE2" Residue "a ASP 384": "OD1" <-> "OD2" Residue "b PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b ASP 13": "OD1" <-> "OD2" Residue "b ASP 54": "OD1" <-> "OD2" Residue "b PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b GLU 92": "OE1" <-> "OE2" Residue "b ASP 116": "OD1" <-> "OD2" Residue "b GLU 148": "OE1" <-> "OE2" Residue "b ASP 157": "OD1" <-> "OD2" Residue "b ASP 163": "OD1" <-> "OD2" Residue "b TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b GLU 214": "OE1" <-> "OE2" Residue "b PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b ASP 240": "OD1" <-> "OD2" Residue "b ASP 261": "OD1" <-> "OD2" Residue "b ASP 262": "OD1" <-> "OD2" Residue "b TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b ASP 288": "OD1" <-> "OD2" Residue "b TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b ASP 324": "OD1" <-> "OD2" Residue "b PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b ASP 341": "OD1" <-> "OD2" Residue "b PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b ASP 361": "OD1" <-> "OD2" Residue "b GLU 373": "OE1" <-> "OE2" Residue "b ASP 384": "OD1" <-> "OD2" Residue "f PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f ASP 13": "OD1" <-> "OD2" Residue "f ASP 54": "OD1" <-> "OD2" Residue "f PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f GLU 92": "OE1" <-> "OE2" Residue "f ASP 116": "OD1" <-> "OD2" Residue "f GLU 148": "OE1" <-> "OE2" Residue "f ASP 157": "OD1" <-> "OD2" Residue "f ASP 163": "OD1" <-> "OD2" Residue "f TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f GLU 214": "OE1" <-> "OE2" Residue "f PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f ASP 240": "OD1" <-> "OD2" Residue "f ASP 261": "OD1" <-> "OD2" Residue "f ASP 262": "OD1" <-> "OD2" Residue "f TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f ASP 288": "OD1" <-> "OD2" Residue "f TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f ASP 324": "OD1" <-> "OD2" Residue "f PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f ASP 341": "OD1" <-> "OD2" Residue "f PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f ASP 361": "OD1" <-> "OD2" Residue "f GLU 373": "OE1" <-> "OE2" Residue "f ASP 384": "OD1" <-> "OD2" Residue "e PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e ASP 13": "OD1" <-> "OD2" Residue "e ASP 54": "OD1" <-> "OD2" Residue "e PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e GLU 92": "OE1" <-> "OE2" Residue "e ASP 116": "OD1" <-> "OD2" Residue "e GLU 148": "OE1" <-> "OE2" Residue "e ASP 157": "OD1" <-> "OD2" Residue "e ASP 163": "OD1" <-> "OD2" Residue "e TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e GLU 214": "OE1" <-> "OE2" Residue "e PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e ASP 240": "OD1" <-> "OD2" Residue "e ASP 261": "OD1" <-> "OD2" Residue "e ASP 262": "OD1" <-> "OD2" Residue "e TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e ASP 288": "OD1" <-> "OD2" Residue "e TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e ASP 324": "OD1" <-> "OD2" Residue "e PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e ASP 341": "OD1" <-> "OD2" Residue "e PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e ASP 361": "OD1" <-> "OD2" Residue "e GLU 373": "OE1" <-> "OE2" Residue "e ASP 384": "OD1" <-> "OD2" Residue "d PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d ASP 13": "OD1" <-> "OD2" Residue "d ASP 54": "OD1" <-> "OD2" Residue "d PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d GLU 92": "OE1" <-> "OE2" Residue "d ASP 116": "OD1" <-> "OD2" Residue "d GLU 148": "OE1" <-> "OE2" Residue "d ASP 157": "OD1" <-> "OD2" Residue "d ASP 163": "OD1" <-> "OD2" Residue "d TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d GLU 214": "OE1" <-> "OE2" Residue "d PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d ASP 240": "OD1" <-> "OD2" Residue "d ASP 261": "OD1" <-> "OD2" Residue "d ASP 262": "OD1" <-> "OD2" Residue "d TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d ASP 288": "OD1" <-> "OD2" Residue "d TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d ASP 324": "OD1" <-> "OD2" Residue "d PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d ASP 341": "OD1" <-> "OD2" Residue "d PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d ASP 361": "OD1" <-> "OD2" Residue "d GLU 373": "OE1" <-> "OE2" Residue "d ASP 384": "OD1" <-> "OD2" Residue "c PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c ASP 13": "OD1" <-> "OD2" Residue "c ASP 54": "OD1" <-> "OD2" Residue "c PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c GLU 92": "OE1" <-> "OE2" Residue "c ASP 116": "OD1" <-> "OD2" Residue "c GLU 148": "OE1" <-> "OE2" Residue "c ASP 157": "OD1" <-> "OD2" Residue "c ASP 163": "OD1" <-> "OD2" Residue "c TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c GLU 214": "OE1" <-> "OE2" Residue "c PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c ASP 240": "OD1" <-> "OD2" Residue "c ASP 261": "OD1" <-> "OD2" Residue "c ASP 262": "OD1" <-> "OD2" Residue "c TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c ASP 288": "OD1" <-> "OD2" Residue "c TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c ASP 324": "OD1" <-> "OD2" Residue "c PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c ASP 341": "OD1" <-> "OD2" Residue "c PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c ASP 361": "OD1" <-> "OD2" Residue "c GLU 373": "OE1" <-> "OE2" Residue "c ASP 384": "OD1" <-> "OD2" Residue "g PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g ASP 13": "OD1" <-> "OD2" Residue "g ASP 54": "OD1" <-> "OD2" Residue "g PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g GLU 92": "OE1" <-> "OE2" Residue "g ASP 116": "OD1" <-> "OD2" Residue "g GLU 148": "OE1" <-> "OE2" Residue "g ASP 157": "OD1" <-> "OD2" Residue "g ASP 163": "OD1" <-> "OD2" Residue "g TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g GLU 214": "OE1" <-> "OE2" Residue "g PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g ASP 240": "OD1" <-> "OD2" Residue "g ASP 261": "OD1" <-> "OD2" Residue "g ASP 262": "OD1" <-> "OD2" Residue "g TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g ASP 288": "OD1" <-> "OD2" Residue "g TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g ASP 324": "OD1" <-> "OD2" Residue "g PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g ASP 341": "OD1" <-> "OD2" Residue "g PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g ASP 361": "OD1" <-> "OD2" Residue "g GLU 373": "OE1" <-> "OE2" Residue "g ASP 384": "OD1" <-> "OD2" Residue "h PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h ASP 13": "OD1" <-> "OD2" Residue "h ASP 54": "OD1" <-> "OD2" Residue "h PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h GLU 92": "OE1" <-> "OE2" Residue "h ASP 116": "OD1" <-> "OD2" Residue "h GLU 148": "OE1" <-> "OE2" Residue "h ASP 157": "OD1" <-> "OD2" Residue "h ASP 163": "OD1" <-> "OD2" Residue "h TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h GLU 214": "OE1" <-> "OE2" Residue "h PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h ASP 240": "OD1" <-> "OD2" Residue "h ASP 261": "OD1" <-> "OD2" Residue "h ASP 262": "OD1" <-> "OD2" Residue "h TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h ASP 288": "OD1" <-> "OD2" Residue "h TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h ASP 324": "OD1" <-> "OD2" Residue "h PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h ASP 341": "OD1" <-> "OD2" Residue "h PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h ASP 361": "OD1" <-> "OD2" Residue "h GLU 373": "OE1" <-> "OE2" Residue "h ASP 384": "OD1" <-> "OD2" Residue "l PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l ASP 13": "OD1" <-> "OD2" Residue "l ASP 54": "OD1" <-> "OD2" Residue "l PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l GLU 92": "OE1" <-> "OE2" Residue "l ASP 116": "OD1" <-> "OD2" Residue "l GLU 148": "OE1" <-> "OE2" Residue "l ASP 157": "OD1" <-> "OD2" Residue "l ASP 163": "OD1" <-> "OD2" Residue "l TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l GLU 214": "OE1" <-> "OE2" Residue "l PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l ASP 240": "OD1" <-> "OD2" Residue "l ASP 261": "OD1" <-> "OD2" Residue "l ASP 262": "OD1" <-> "OD2" Residue "l TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l ASP 288": "OD1" <-> "OD2" Residue "l TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l ASP 324": "OD1" <-> "OD2" Residue "l PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l ASP 341": "OD1" <-> "OD2" Residue "l PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l ASP 361": "OD1" <-> "OD2" Residue "l GLU 373": "OE1" <-> "OE2" Residue "l ASP 384": "OD1" <-> "OD2" Residue "k PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k ASP 13": "OD1" <-> "OD2" Residue "k ASP 54": "OD1" <-> "OD2" Residue "k PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k GLU 92": "OE1" <-> "OE2" Residue "k ASP 116": "OD1" <-> "OD2" Residue "k GLU 148": "OE1" <-> "OE2" Residue "k ASP 157": "OD1" <-> "OD2" Residue "k ASP 163": "OD1" <-> "OD2" Residue "k TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k GLU 214": "OE1" <-> "OE2" Residue "k PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k ASP 240": "OD1" <-> "OD2" Residue "k ASP 261": "OD1" <-> "OD2" Residue "k ASP 262": "OD1" <-> "OD2" Residue "k TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k ASP 288": "OD1" <-> "OD2" Residue "k TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k ASP 324": "OD1" <-> "OD2" Residue "k PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k ASP 341": "OD1" <-> "OD2" Residue "k PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k ASP 361": "OD1" <-> "OD2" Residue "k GLU 373": "OE1" <-> "OE2" Residue "k ASP 384": "OD1" <-> "OD2" Residue "j PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j ASP 13": "OD1" <-> "OD2" Residue "j ASP 54": "OD1" <-> "OD2" Residue "j PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j GLU 92": "OE1" <-> "OE2" Residue "j ASP 116": "OD1" <-> "OD2" Residue "j GLU 148": "OE1" <-> "OE2" Residue "j ASP 157": "OD1" <-> "OD2" Residue "j ASP 163": "OD1" <-> "OD2" Residue "j TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j GLU 214": "OE1" <-> "OE2" Residue "j PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j ASP 240": "OD1" <-> "OD2" Residue "j ASP 261": "OD1" <-> "OD2" Residue "j ASP 262": "OD1" <-> "OD2" Residue "j TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j ASP 288": "OD1" <-> "OD2" Residue "j TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j ASP 324": "OD1" <-> "OD2" Residue "j PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j ASP 341": "OD1" <-> "OD2" Residue "j PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j ASP 361": "OD1" <-> "OD2" Residue "j GLU 373": "OE1" <-> "OE2" Residue "j ASP 384": "OD1" <-> "OD2" Residue "i PHE 3": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 4": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i ASP 13": "OD1" <-> "OD2" Residue "i ASP 54": "OD1" <-> "OD2" Residue "i PHE 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i TYR 73": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i GLU 92": "OE1" <-> "OE2" Residue "i ASP 116": "OD1" <-> "OD2" Residue "i GLU 148": "OE1" <-> "OE2" Residue "i ASP 157": "OD1" <-> "OD2" Residue "i ASP 163": "OD1" <-> "OD2" Residue "i TYR 169": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i TYR 203": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i GLU 214": "OE1" <-> "OE2" Residue "i PHE 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 238": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i ASP 240": "OD1" <-> "OD2" Residue "i ASP 261": "OD1" <-> "OD2" Residue "i ASP 262": "OD1" <-> "OD2" Residue "i TYR 264": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 280": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i ASP 288": "OD1" <-> "OD2" Residue "i TYR 310": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i ASP 324": "OD1" <-> "OD2" Residue "i PHE 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i TYR 337": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i ASP 341": "OD1" <-> "OD2" Residue "i PHE 359": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i ASP 361": "OD1" <-> "OD2" Residue "i GLU 373": "OE1" <-> "OE2" Residue "i ASP 384": "OD1" <-> "OD2" Time to flip residues: 0.28s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4807/modules/chem_data/mon_lib" Total number of atoms: 103824 Number of models: 1 Model: "" Number of chains: 36 Chain: "A" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "B" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "F" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "E" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "D" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "C" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "0" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "1" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "5" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "4" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "3" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "2" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "G" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "H" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "L" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "K" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "J" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "I" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "M" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "N" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "R" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "Q" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "P" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "O" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "a" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "b" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "f" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "e" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "d" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "c" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "g" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "h" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "l" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "k" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "j" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "i" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Time building chain proxies: 41.59, per 1000 atoms: 0.40 Number of scatterers: 103824 At special positions: 0 Unit cell: (241.776, 241.776, 141.312, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 4 Type Number sf(0) S 288 16.00 O 19980 8.00 N 18144 7.00 C 65412 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=0, symmetry=0 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.50 Amino acid : False - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=0, symmetry=0 Time building additional restraints: 31.60 Conformation dependent library (CDL) restraints added in 11.9 seconds 27432 Ramachandran restraints generated. 13716 Oldfield, 0 Emsley, 13716 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 25488 Finding SS restraints... Secondary structure from input PDB file: 468 helices and 246 sheets defined 38.4% alpha, 7.7% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 4.38 Creating SS restraints... Processing helix chain 'A' and resid 51 through 60 removed outlier: 3.871A pdb=" N ALA A 58 " --> pdb=" O ASP A 54 " (cutoff:3.500A) Processing helix chain 'A' and resid 65 through 76 removed outlier: 3.557A pdb=" N ARG A 75 " --> pdb=" O ALA A 71 " (cutoff:3.500A) Processing helix chain 'A' and resid 90 through 100 removed outlier: 3.662A pdb=" N ALA A 95 " --> pdb=" O PRO A 91 " (cutoff:3.500A) removed outlier: 4.107A pdb=" N SER A 96 " --> pdb=" O GLU A 92 " (cutoff:3.500A) removed outlier: 3.877A pdb=" N ALA A 97 " --> pdb=" O ALA A 93 " (cutoff:3.500A) Processing helix chain 'A' and resid 109 through 116 Processing helix chain 'A' and resid 117 through 122 Processing helix chain 'A' and resid 136 through 151 removed outlier: 3.723A pdb=" N THR A 141 " --> pdb=" O GLN A 137 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N ALA A 142 " --> pdb=" O ALA A 138 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N GLU A 148 " --> pdb=" O ASP A 144 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N LYS A 149 " --> pdb=" O GLY A 145 " (cutoff:3.500A) Processing helix chain 'A' and resid 162 through 171 removed outlier: 3.622A pdb=" N ALA A 166 " --> pdb=" O THR A 162 " (cutoff:3.500A) Processing helix chain 'A' and resid 200 through 215 removed outlier: 3.578A pdb=" N ALA A 204 " --> pdb=" O ALA A 200 " (cutoff:3.500A) Processing helix chain 'A' and resid 245 through 253 removed outlier: 3.762A pdb=" N LEU A 249 " --> pdb=" O CYS A 245 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ASN A 251 " --> pdb=" O ALA A 247 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA A 253 " --> pdb=" O LEU A 249 " (cutoff:3.500A) Processing helix chain 'A' and resid 275 through 279 Processing helix chain 'A' and resid 280 through 298 removed outlier: 3.770A pdb=" N VAL A 284 " --> pdb=" O PHE A 280 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N LEU A 289 " --> pdb=" O ARG A 285 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ASP A 292 " --> pdb=" O ASP A 288 " (cutoff:3.500A) Processing helix chain 'A' and resid 307 through 327 Processing helix chain 'A' and resid 347 through 350 Processing helix chain 'B' and resid 51 through 60 removed outlier: 3.861A pdb=" N ALA B 58 " --> pdb=" O ASP B 54 " (cutoff:3.500A) Processing helix chain 'B' and resid 65 through 76 removed outlier: 3.557A pdb=" N ARG B 75 " --> pdb=" O ALA B 71 " (cutoff:3.500A) Processing helix chain 'B' and resid 90 through 100 removed outlier: 3.667A pdb=" N ALA B 95 " --> pdb=" O PRO B 91 " (cutoff:3.500A) removed outlier: 4.102A pdb=" N SER B 96 " --> pdb=" O GLU B 92 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N ALA B 97 " --> pdb=" O ALA B 93 " (cutoff:3.500A) Processing helix chain 'B' and resid 109 through 116 Processing helix chain 'B' and resid 117 through 122 Processing helix chain 'B' and resid 136 through 151 removed outlier: 3.718A pdb=" N THR B 141 " --> pdb=" O GLN B 137 " (cutoff:3.500A) removed outlier: 3.670A pdb=" N ALA B 142 " --> pdb=" O ALA B 138 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N GLU B 148 " --> pdb=" O ASP B 144 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N LYS B 149 " --> pdb=" O GLY B 145 " (cutoff:3.500A) Processing helix chain 'B' and resid 162 through 171 removed outlier: 3.623A pdb=" N ALA B 166 " --> pdb=" O THR B 162 " (cutoff:3.500A) Processing helix chain 'B' and resid 200 through 215 removed outlier: 3.571A pdb=" N ALA B 204 " --> pdb=" O ALA B 200 " (cutoff:3.500A) Processing helix chain 'B' and resid 245 through 253 removed outlier: 3.763A pdb=" N LEU B 249 " --> pdb=" O CYS B 245 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASN B 251 " --> pdb=" O ALA B 247 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ALA B 253 " --> pdb=" O LEU B 249 " (cutoff:3.500A) Processing helix chain 'B' and resid 275 through 279 Processing helix chain 'B' and resid 280 through 298 removed outlier: 3.767A pdb=" N VAL B 284 " --> pdb=" O PHE B 280 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEU B 289 " --> pdb=" O ARG B 285 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N ASP B 292 " --> pdb=" O ASP B 288 " (cutoff:3.500A) Processing helix chain 'B' and resid 307 through 327 Processing helix chain 'B' and resid 347 through 350 Processing helix chain 'F' and resid 51 through 60 removed outlier: 3.862A pdb=" N ALA F 58 " --> pdb=" O ASP F 54 " (cutoff:3.500A) Processing helix chain 'F' and resid 65 through 76 removed outlier: 3.553A pdb=" N ARG F 75 " --> pdb=" O ALA F 71 " (cutoff:3.500A) Processing helix chain 'F' and resid 90 through 100 removed outlier: 3.666A pdb=" N ALA F 95 " --> pdb=" O PRO F 91 " (cutoff:3.500A) removed outlier: 4.104A pdb=" N SER F 96 " --> pdb=" O GLU F 92 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N ALA F 97 " --> pdb=" O ALA F 93 " (cutoff:3.500A) Processing helix chain 'F' and resid 109 through 116 Processing helix chain 'F' and resid 117 through 122 Processing helix chain 'F' and resid 136 through 151 removed outlier: 3.722A pdb=" N THR F 141 " --> pdb=" O GLN F 137 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N ALA F 142 " --> pdb=" O ALA F 138 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N GLU F 148 " --> pdb=" O ASP F 144 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N LYS F 149 " --> pdb=" O GLY F 145 " (cutoff:3.500A) Processing helix chain 'F' and resid 162 through 171 removed outlier: 3.622A pdb=" N ALA F 166 " --> pdb=" O THR F 162 " (cutoff:3.500A) Processing helix chain 'F' and resid 200 through 215 removed outlier: 3.572A pdb=" N ALA F 204 " --> pdb=" O ALA F 200 " (cutoff:3.500A) Processing helix chain 'F' and resid 245 through 253 removed outlier: 3.762A pdb=" N LEU F 249 " --> pdb=" O CYS F 245 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N ASN F 251 " --> pdb=" O ALA F 247 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N ALA F 253 " --> pdb=" O LEU F 249 " (cutoff:3.500A) Processing helix chain 'F' and resid 275 through 279 Processing helix chain 'F' and resid 280 through 298 removed outlier: 3.769A pdb=" N VAL F 284 " --> pdb=" O PHE F 280 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N LEU F 289 " --> pdb=" O ARG F 285 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N ASP F 292 " --> pdb=" O ASP F 288 " (cutoff:3.500A) Processing helix chain 'F' and resid 307 through 327 Processing helix chain 'F' and resid 347 through 350 Processing helix chain 'E' and resid 51 through 60 removed outlier: 3.864A pdb=" N ALA E 58 " --> pdb=" O ASP E 54 " (cutoff:3.500A) Processing helix chain 'E' and resid 65 through 76 removed outlier: 3.560A pdb=" N ARG E 75 " --> pdb=" O ALA E 71 " (cutoff:3.500A) Processing helix chain 'E' and resid 90 through 100 removed outlier: 3.670A pdb=" N ALA E 95 " --> pdb=" O PRO E 91 " (cutoff:3.500A) removed outlier: 4.102A pdb=" N SER E 96 " --> pdb=" O GLU E 92 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N ALA E 97 " --> pdb=" O ALA E 93 " (cutoff:3.500A) Processing helix chain 'E' and resid 109 through 116 Processing helix chain 'E' and resid 117 through 122 Processing helix chain 'E' and resid 136 through 151 removed outlier: 3.728A pdb=" N THR E 141 " --> pdb=" O GLN E 137 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N ALA E 142 " --> pdb=" O ALA E 138 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N GLU E 148 " --> pdb=" O ASP E 144 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N LYS E 149 " --> pdb=" O GLY E 145 " (cutoff:3.500A) Processing helix chain 'E' and resid 162 through 171 removed outlier: 3.622A pdb=" N ALA E 166 " --> pdb=" O THR E 162 " (cutoff:3.500A) Processing helix chain 'E' and resid 200 through 215 removed outlier: 3.569A pdb=" N ALA E 204 " --> pdb=" O ALA E 200 " (cutoff:3.500A) Processing helix chain 'E' and resid 245 through 253 removed outlier: 3.762A pdb=" N LEU E 249 " --> pdb=" O CYS E 245 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N ASN E 251 " --> pdb=" O ALA E 247 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ALA E 253 " --> pdb=" O LEU E 249 " (cutoff:3.500A) Processing helix chain 'E' and resid 275 through 279 Processing helix chain 'E' and resid 280 through 298 removed outlier: 3.766A pdb=" N VAL E 284 " --> pdb=" O PHE E 280 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N LEU E 289 " --> pdb=" O ARG E 285 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N ASP E 292 " --> pdb=" O ASP E 288 " (cutoff:3.500A) Processing helix chain 'E' and resid 307 through 327 Processing helix chain 'E' and resid 347 through 350 Processing helix chain 'D' and resid 51 through 60 removed outlier: 3.860A pdb=" N ALA D 58 " --> pdb=" O ASP D 54 " (cutoff:3.500A) Processing helix chain 'D' and resid 65 through 76 removed outlier: 3.557A pdb=" N ARG D 75 " --> pdb=" O ALA D 71 " (cutoff:3.500A) Processing helix chain 'D' and resid 90 through 100 removed outlier: 3.663A pdb=" N ALA D 95 " --> pdb=" O PRO D 91 " (cutoff:3.500A) removed outlier: 4.102A pdb=" N SER D 96 " --> pdb=" O GLU D 92 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N ALA D 97 " --> pdb=" O ALA D 93 " (cutoff:3.500A) Processing helix chain 'D' and resid 109 through 116 Processing helix chain 'D' and resid 117 through 122 Processing helix chain 'D' and resid 136 through 151 removed outlier: 3.723A pdb=" N THR D 141 " --> pdb=" O GLN D 137 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N ALA D 142 " --> pdb=" O ALA D 138 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N GLU D 148 " --> pdb=" O ASP D 144 " (cutoff:3.500A) removed outlier: 3.696A pdb=" N LYS D 149 " --> pdb=" O GLY D 145 " (cutoff:3.500A) Processing helix chain 'D' and resid 162 through 171 removed outlier: 3.626A pdb=" N ALA D 166 " --> pdb=" O THR D 162 " (cutoff:3.500A) Processing helix chain 'D' and resid 200 through 215 removed outlier: 3.573A pdb=" N ALA D 204 " --> pdb=" O ALA D 200 " (cutoff:3.500A) Processing helix chain 'D' and resid 245 through 253 removed outlier: 3.767A pdb=" N LEU D 249 " --> pdb=" O CYS D 245 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N ASN D 251 " --> pdb=" O ALA D 247 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N ALA D 253 " --> pdb=" O LEU D 249 " (cutoff:3.500A) Processing helix chain 'D' and resid 275 through 279 Processing helix chain 'D' and resid 280 through 298 removed outlier: 3.772A pdb=" N VAL D 284 " --> pdb=" O PHE D 280 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N LEU D 289 " --> pdb=" O ARG D 285 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ASP D 292 " --> pdb=" O ASP D 288 " (cutoff:3.500A) Processing helix chain 'D' and resid 307 through 327 Processing helix chain 'D' and resid 347 through 350 Processing helix chain 'C' and resid 51 through 60 removed outlier: 3.867A pdb=" N ALA C 58 " --> pdb=" O ASP C 54 " (cutoff:3.500A) Processing helix chain 'C' and resid 65 through 76 removed outlier: 3.553A pdb=" N ARG C 75 " --> pdb=" O ALA C 71 " (cutoff:3.500A) Processing helix chain 'C' and resid 90 through 100 removed outlier: 3.666A pdb=" N ALA C 95 " --> pdb=" O PRO C 91 " (cutoff:3.500A) removed outlier: 4.102A pdb=" N SER C 96 " --> pdb=" O GLU C 92 " (cutoff:3.500A) removed outlier: 3.877A pdb=" N ALA C 97 " --> pdb=" O ALA C 93 " (cutoff:3.500A) Processing helix chain 'C' and resid 109 through 116 Processing helix chain 'C' and resid 117 through 122 Processing helix chain 'C' and resid 136 through 151 removed outlier: 3.725A pdb=" N THR C 141 " --> pdb=" O GLN C 137 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N ALA C 142 " --> pdb=" O ALA C 138 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N GLU C 148 " --> pdb=" O ASP C 144 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N LYS C 149 " --> pdb=" O GLY C 145 " (cutoff:3.500A) Processing helix chain 'C' and resid 162 through 171 removed outlier: 3.622A pdb=" N ALA C 166 " --> pdb=" O THR C 162 " (cutoff:3.500A) Processing helix chain 'C' and resid 200 through 215 removed outlier: 3.572A pdb=" N ALA C 204 " --> pdb=" O ALA C 200 " (cutoff:3.500A) Processing helix chain 'C' and resid 245 through 253 removed outlier: 3.764A pdb=" N LEU C 249 " --> pdb=" O CYS C 245 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ASN C 251 " --> pdb=" O ALA C 247 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA C 253 " --> pdb=" O LEU C 249 " (cutoff:3.500A) Processing helix chain 'C' and resid 275 through 279 Processing helix chain 'C' and resid 280 through 298 removed outlier: 3.771A pdb=" N VAL C 284 " --> pdb=" O PHE C 280 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N LEU C 289 " --> pdb=" O ARG C 285 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ASP C 292 " --> pdb=" O ASP C 288 " (cutoff:3.500A) Processing helix chain 'C' and resid 307 through 327 Processing helix chain 'C' and resid 347 through 350 Processing helix chain '0' and resid 51 through 60 removed outlier: 3.866A pdb=" N ALA 0 58 " --> pdb=" O ASP 0 54 " (cutoff:3.500A) Processing helix chain '0' and resid 65 through 76 removed outlier: 3.557A pdb=" N ARG 0 75 " --> pdb=" O ALA 0 71 " (cutoff:3.500A) Processing helix chain '0' and resid 90 through 100 removed outlier: 3.668A pdb=" N ALA 0 95 " --> pdb=" O PRO 0 91 " (cutoff:3.500A) removed outlier: 4.103A pdb=" N SER 0 96 " --> pdb=" O GLU 0 92 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N ALA 0 97 " --> pdb=" O ALA 0 93 " (cutoff:3.500A) Processing helix chain '0' and resid 109 through 116 Processing helix chain '0' and resid 117 through 122 Processing helix chain '0' and resid 136 through 151 removed outlier: 3.724A pdb=" N THR 0 141 " --> pdb=" O GLN 0 137 " (cutoff:3.500A) removed outlier: 3.670A pdb=" N ALA 0 142 " --> pdb=" O ALA 0 138 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N GLU 0 148 " --> pdb=" O ASP 0 144 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N LYS 0 149 " --> pdb=" O GLY 0 145 " (cutoff:3.500A) Processing helix chain '0' and resid 162 through 171 removed outlier: 3.624A pdb=" N ALA 0 166 " --> pdb=" O THR 0 162 " (cutoff:3.500A) Processing helix chain '0' and resid 200 through 215 removed outlier: 3.581A pdb=" N ALA 0 204 " --> pdb=" O ALA 0 200 " (cutoff:3.500A) Processing helix chain '0' and resid 245 through 253 removed outlier: 3.763A pdb=" N LEU 0 249 " --> pdb=" O CYS 0 245 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N ASN 0 251 " --> pdb=" O ALA 0 247 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ALA 0 253 " --> pdb=" O LEU 0 249 " (cutoff:3.500A) Processing helix chain '0' and resid 275 through 279 Processing helix chain '0' and resid 280 through 298 removed outlier: 3.769A pdb=" N VAL 0 284 " --> pdb=" O PHE 0 280 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N LEU 0 289 " --> pdb=" O ARG 0 285 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ASP 0 292 " --> pdb=" O ASP 0 288 " (cutoff:3.500A) Processing helix chain '0' and resid 307 through 327 Processing helix chain '0' and resid 347 through 350 Processing helix chain '1' and resid 51 through 60 removed outlier: 3.867A pdb=" N ALA 1 58 " --> pdb=" O ASP 1 54 " (cutoff:3.500A) Processing helix chain '1' and resid 65 through 76 removed outlier: 3.555A pdb=" N ARG 1 75 " --> pdb=" O ALA 1 71 " (cutoff:3.500A) Processing helix chain '1' and resid 90 through 100 removed outlier: 3.667A pdb=" N ALA 1 95 " --> pdb=" O PRO 1 91 " (cutoff:3.500A) removed outlier: 4.099A pdb=" N SER 1 96 " --> pdb=" O GLU 1 92 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N ALA 1 97 " --> pdb=" O ALA 1 93 " (cutoff:3.500A) Processing helix chain '1' and resid 109 through 116 Processing helix chain '1' and resid 117 through 122 Processing helix chain '1' and resid 136 through 151 removed outlier: 3.725A pdb=" N THR 1 141 " --> pdb=" O GLN 1 137 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N ALA 1 142 " --> pdb=" O ALA 1 138 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N GLU 1 148 " --> pdb=" O ASP 1 144 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N LYS 1 149 " --> pdb=" O GLY 1 145 " (cutoff:3.500A) Processing helix chain '1' and resid 162 through 171 removed outlier: 3.622A pdb=" N ALA 1 166 " --> pdb=" O THR 1 162 " (cutoff:3.500A) Processing helix chain '1' and resid 200 through 215 removed outlier: 3.585A pdb=" N ALA 1 204 " --> pdb=" O ALA 1 200 " (cutoff:3.500A) Processing helix chain '1' and resid 245 through 253 removed outlier: 3.766A pdb=" N LEU 1 249 " --> pdb=" O CYS 1 245 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN 1 251 " --> pdb=" O ALA 1 247 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N ALA 1 253 " --> pdb=" O LEU 1 249 " (cutoff:3.500A) Processing helix chain '1' and resid 275 through 279 Processing helix chain '1' and resid 280 through 298 removed outlier: 3.774A pdb=" N VAL 1 284 " --> pdb=" O PHE 1 280 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N LEU 1 289 " --> pdb=" O ARG 1 285 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N ASP 1 292 " --> pdb=" O ASP 1 288 " (cutoff:3.500A) Processing helix chain '1' and resid 307 through 327 Processing helix chain '1' and resid 347 through 350 Processing helix chain '5' and resid 51 through 60 removed outlier: 3.859A pdb=" N ALA 5 58 " --> pdb=" O ASP 5 54 " (cutoff:3.500A) Processing helix chain '5' and resid 65 through 76 removed outlier: 3.554A pdb=" N ARG 5 75 " --> pdb=" O ALA 5 71 " (cutoff:3.500A) Processing helix chain '5' and resid 90 through 100 removed outlier: 3.666A pdb=" N ALA 5 95 " --> pdb=" O PRO 5 91 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N SER 5 96 " --> pdb=" O GLU 5 92 " (cutoff:3.500A) removed outlier: 3.878A pdb=" N ALA 5 97 " --> pdb=" O ALA 5 93 " (cutoff:3.500A) Processing helix chain '5' and resid 109 through 116 Processing helix chain '5' and resid 117 through 122 Processing helix chain '5' and resid 136 through 151 removed outlier: 3.723A pdb=" N THR 5 141 " --> pdb=" O GLN 5 137 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N ALA 5 142 " --> pdb=" O ALA 5 138 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N GLU 5 148 " --> pdb=" O ASP 5 144 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N LYS 5 149 " --> pdb=" O GLY 5 145 " (cutoff:3.500A) Processing helix chain '5' and resid 162 through 171 removed outlier: 3.622A pdb=" N ALA 5 166 " --> pdb=" O THR 5 162 " (cutoff:3.500A) Processing helix chain '5' and resid 200 through 215 removed outlier: 3.579A pdb=" N ALA 5 204 " --> pdb=" O ALA 5 200 " (cutoff:3.500A) Processing helix chain '5' and resid 245 through 253 removed outlier: 3.763A pdb=" N LEU 5 249 " --> pdb=" O CYS 5 245 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N ASN 5 251 " --> pdb=" O ALA 5 247 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N ALA 5 253 " --> pdb=" O LEU 5 249 " (cutoff:3.500A) Processing helix chain '5' and resid 275 through 279 Processing helix chain '5' and resid 280 through 298 removed outlier: 3.771A pdb=" N VAL 5 284 " --> pdb=" O PHE 5 280 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N LEU 5 289 " --> pdb=" O ARG 5 285 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N ASP 5 292 " --> pdb=" O ASP 5 288 " (cutoff:3.500A) Processing helix chain '5' and resid 307 through 327 Processing helix chain '5' and resid 347 through 350 Processing helix chain '4' and resid 51 through 60 removed outlier: 3.868A pdb=" N ALA 4 58 " --> pdb=" O ASP 4 54 " (cutoff:3.500A) Processing helix chain '4' and resid 65 through 76 removed outlier: 3.554A pdb=" N ARG 4 75 " --> pdb=" O ALA 4 71 " (cutoff:3.500A) Processing helix chain '4' and resid 90 through 100 removed outlier: 3.662A pdb=" N ALA 4 95 " --> pdb=" O PRO 4 91 " (cutoff:3.500A) removed outlier: 4.101A pdb=" N SER 4 96 " --> pdb=" O GLU 4 92 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N ALA 4 97 " --> pdb=" O ALA 4 93 " (cutoff:3.500A) Processing helix chain '4' and resid 109 through 116 Processing helix chain '4' and resid 117 through 122 Processing helix chain '4' and resid 136 through 151 removed outlier: 3.720A pdb=" N THR 4 141 " --> pdb=" O GLN 4 137 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N ALA 4 142 " --> pdb=" O ALA 4 138 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N GLU 4 148 " --> pdb=" O ASP 4 144 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N LYS 4 149 " --> pdb=" O GLY 4 145 " (cutoff:3.500A) Processing helix chain '4' and resid 162 through 171 removed outlier: 3.621A pdb=" N ALA 4 166 " --> pdb=" O THR 4 162 " (cutoff:3.500A) Processing helix chain '4' and resid 200 through 215 removed outlier: 3.584A pdb=" N ALA 4 204 " --> pdb=" O ALA 4 200 " (cutoff:3.500A) Processing helix chain '4' and resid 245 through 253 removed outlier: 3.765A pdb=" N LEU 4 249 " --> pdb=" O CYS 4 245 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N ASN 4 251 " --> pdb=" O ALA 4 247 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N ALA 4 253 " --> pdb=" O LEU 4 249 " (cutoff:3.500A) Processing helix chain '4' and resid 275 through 279 Processing helix chain '4' and resid 280 through 298 removed outlier: 3.773A pdb=" N VAL 4 284 " --> pdb=" O PHE 4 280 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N LEU 4 289 " --> pdb=" O ARG 4 285 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ASP 4 292 " --> pdb=" O ASP 4 288 " (cutoff:3.500A) Processing helix chain '4' and resid 307 through 327 Processing helix chain '4' and resid 347 through 350 Processing helix chain '3' and resid 51 through 60 removed outlier: 3.866A pdb=" N ALA 3 58 " --> pdb=" O ASP 3 54 " (cutoff:3.500A) Processing helix chain '3' and resid 65 through 76 removed outlier: 3.556A pdb=" N ARG 3 75 " --> pdb=" O ALA 3 71 " (cutoff:3.500A) Processing helix chain '3' and resid 90 through 100 removed outlier: 3.658A pdb=" N ALA 3 95 " --> pdb=" O PRO 3 91 " (cutoff:3.500A) removed outlier: 4.101A pdb=" N SER 3 96 " --> pdb=" O GLU 3 92 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N ALA 3 97 " --> pdb=" O ALA 3 93 " (cutoff:3.500A) Processing helix chain '3' and resid 109 through 116 Processing helix chain '3' and resid 117 through 122 Processing helix chain '3' and resid 136 through 151 removed outlier: 3.728A pdb=" N THR 3 141 " --> pdb=" O GLN 3 137 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ALA 3 142 " --> pdb=" O ALA 3 138 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N GLU 3 148 " --> pdb=" O ASP 3 144 " (cutoff:3.500A) removed outlier: 3.689A pdb=" N LYS 3 149 " --> pdb=" O GLY 3 145 " (cutoff:3.500A) Processing helix chain '3' and resid 162 through 171 removed outlier: 3.619A pdb=" N ALA 3 166 " --> pdb=" O THR 3 162 " (cutoff:3.500A) Processing helix chain '3' and resid 200 through 215 removed outlier: 3.581A pdb=" N ALA 3 204 " --> pdb=" O ALA 3 200 " (cutoff:3.500A) Processing helix chain '3' and resid 245 through 253 removed outlier: 3.764A pdb=" N LEU 3 249 " --> pdb=" O CYS 3 245 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ASN 3 251 " --> pdb=" O ALA 3 247 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ALA 3 253 " --> pdb=" O LEU 3 249 " (cutoff:3.500A) Processing helix chain '3' and resid 275 through 279 Processing helix chain '3' and resid 280 through 298 removed outlier: 3.771A pdb=" N VAL 3 284 " --> pdb=" O PHE 3 280 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N LEU 3 289 " --> pdb=" O ARG 3 285 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N ASP 3 292 " --> pdb=" O ASP 3 288 " (cutoff:3.500A) Processing helix chain '3' and resid 307 through 327 Processing helix chain '3' and resid 347 through 350 Processing helix chain '2' and resid 51 through 60 removed outlier: 3.864A pdb=" N ALA 2 58 " --> pdb=" O ASP 2 54 " (cutoff:3.500A) Processing helix chain '2' and resid 65 through 76 removed outlier: 3.558A pdb=" N ARG 2 75 " --> pdb=" O ALA 2 71 " (cutoff:3.500A) Processing helix chain '2' and resid 90 through 100 removed outlier: 3.668A pdb=" N ALA 2 95 " --> pdb=" O PRO 2 91 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N SER 2 96 " --> pdb=" O GLU 2 92 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N ALA 2 97 " --> pdb=" O ALA 2 93 " (cutoff:3.500A) Processing helix chain '2' and resid 109 through 116 Processing helix chain '2' and resid 117 through 122 Processing helix chain '2' and resid 136 through 151 removed outlier: 3.722A pdb=" N THR 2 141 " --> pdb=" O GLN 2 137 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ALA 2 142 " --> pdb=" O ALA 2 138 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N GLU 2 148 " --> pdb=" O ASP 2 144 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N LYS 2 149 " --> pdb=" O GLY 2 145 " (cutoff:3.500A) Processing helix chain '2' and resid 162 through 171 removed outlier: 3.623A pdb=" N ALA 2 166 " --> pdb=" O THR 2 162 " (cutoff:3.500A) Processing helix chain '2' and resid 200 through 215 removed outlier: 3.578A pdb=" N ALA 2 204 " --> pdb=" O ALA 2 200 " (cutoff:3.500A) Processing helix chain '2' and resid 245 through 253 removed outlier: 3.763A pdb=" N LEU 2 249 " --> pdb=" O CYS 2 245 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N ASN 2 251 " --> pdb=" O ALA 2 247 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ALA 2 253 " --> pdb=" O LEU 2 249 " (cutoff:3.500A) Processing helix chain '2' and resid 275 through 279 Processing helix chain '2' and resid 280 through 298 removed outlier: 3.771A pdb=" N VAL 2 284 " --> pdb=" O PHE 2 280 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N LEU 2 289 " --> pdb=" O ARG 2 285 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N ASP 2 292 " --> pdb=" O ASP 2 288 " (cutoff:3.500A) Processing helix chain '2' and resid 307 through 327 Processing helix chain '2' and resid 347 through 350 Processing helix chain 'G' and resid 51 through 60 removed outlier: 3.859A pdb=" N ALA G 58 " --> pdb=" O ASP G 54 " (cutoff:3.500A) Processing helix chain 'G' and resid 65 through 76 removed outlier: 3.554A pdb=" N ARG G 75 " --> pdb=" O ALA G 71 " (cutoff:3.500A) Processing helix chain 'G' and resid 90 through 100 removed outlier: 3.662A pdb=" N ALA G 95 " --> pdb=" O PRO G 91 " (cutoff:3.500A) removed outlier: 4.102A pdb=" N SER G 96 " --> pdb=" O GLU G 92 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N ALA G 97 " --> pdb=" O ALA G 93 " (cutoff:3.500A) Processing helix chain 'G' and resid 109 through 116 Processing helix chain 'G' and resid 117 through 122 Processing helix chain 'G' and resid 136 through 151 removed outlier: 3.724A pdb=" N THR G 141 " --> pdb=" O GLN G 137 " (cutoff:3.500A) removed outlier: 3.670A pdb=" N ALA G 142 " --> pdb=" O ALA G 138 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N GLU G 148 " --> pdb=" O ASP G 144 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N LYS G 149 " --> pdb=" O GLY G 145 " (cutoff:3.500A) Processing helix chain 'G' and resid 162 through 171 removed outlier: 3.622A pdb=" N ALA G 166 " --> pdb=" O THR G 162 " (cutoff:3.500A) Processing helix chain 'G' and resid 200 through 215 removed outlier: 3.577A pdb=" N ALA G 204 " --> pdb=" O ALA G 200 " (cutoff:3.500A) Processing helix chain 'G' and resid 245 through 253 removed outlier: 3.763A pdb=" N LEU G 249 " --> pdb=" O CYS G 245 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N ASN G 251 " --> pdb=" O ALA G 247 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ALA G 253 " --> pdb=" O LEU G 249 " (cutoff:3.500A) Processing helix chain 'G' and resid 275 through 279 Processing helix chain 'G' and resid 280 through 298 removed outlier: 3.774A pdb=" N VAL G 284 " --> pdb=" O PHE G 280 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N LEU G 289 " --> pdb=" O ARG G 285 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N ASP G 292 " --> pdb=" O ASP G 288 " (cutoff:3.500A) Processing helix chain 'G' and resid 307 through 327 Processing helix chain 'G' and resid 347 through 350 Processing helix chain 'H' and resid 51 through 60 removed outlier: 3.858A pdb=" N ALA H 58 " --> pdb=" O ASP H 54 " (cutoff:3.500A) Processing helix chain 'H' and resid 65 through 76 removed outlier: 3.560A pdb=" N ARG H 75 " --> pdb=" O ALA H 71 " (cutoff:3.500A) Processing helix chain 'H' and resid 90 through 100 removed outlier: 3.665A pdb=" N ALA H 95 " --> pdb=" O PRO H 91 " (cutoff:3.500A) removed outlier: 4.103A pdb=" N SER H 96 " --> pdb=" O GLU H 92 " (cutoff:3.500A) removed outlier: 3.878A pdb=" N ALA H 97 " --> pdb=" O ALA H 93 " (cutoff:3.500A) Processing helix chain 'H' and resid 109 through 116 Processing helix chain 'H' and resid 117 through 122 Processing helix chain 'H' and resid 136 through 151 removed outlier: 3.725A pdb=" N THR H 141 " --> pdb=" O GLN H 137 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ALA H 142 " --> pdb=" O ALA H 138 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N GLU H 148 " --> pdb=" O ASP H 144 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N LYS H 149 " --> pdb=" O GLY H 145 " (cutoff:3.500A) Processing helix chain 'H' and resid 162 through 171 removed outlier: 3.623A pdb=" N ALA H 166 " --> pdb=" O THR H 162 " (cutoff:3.500A) Processing helix chain 'H' and resid 200 through 215 removed outlier: 3.574A pdb=" N ALA H 204 " --> pdb=" O ALA H 200 " (cutoff:3.500A) Processing helix chain 'H' and resid 245 through 253 removed outlier: 3.764A pdb=" N LEU H 249 " --> pdb=" O CYS H 245 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N ASN H 251 " --> pdb=" O ALA H 247 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N ALA H 253 " --> pdb=" O LEU H 249 " (cutoff:3.500A) Processing helix chain 'H' and resid 275 through 279 Processing helix chain 'H' and resid 280 through 298 removed outlier: 3.771A pdb=" N VAL H 284 " --> pdb=" O PHE H 280 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N LEU H 289 " --> pdb=" O ARG H 285 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ASP H 292 " --> pdb=" O ASP H 288 " (cutoff:3.500A) Processing helix chain 'H' and resid 307 through 327 Processing helix chain 'H' and resid 347 through 350 Processing helix chain 'L' and resid 51 through 60 removed outlier: 3.867A pdb=" N ALA L 58 " --> pdb=" O ASP L 54 " (cutoff:3.500A) Processing helix chain 'L' and resid 65 through 76 removed outlier: 3.554A pdb=" N ARG L 75 " --> pdb=" O ALA L 71 " (cutoff:3.500A) Processing helix chain 'L' and resid 90 through 100 removed outlier: 3.664A pdb=" N ALA L 95 " --> pdb=" O PRO L 91 " (cutoff:3.500A) removed outlier: 4.101A pdb=" N SER L 96 " --> pdb=" O GLU L 92 " (cutoff:3.500A) removed outlier: 3.878A pdb=" N ALA L 97 " --> pdb=" O ALA L 93 " (cutoff:3.500A) Processing helix chain 'L' and resid 109 through 116 Processing helix chain 'L' and resid 117 through 122 Processing helix chain 'L' and resid 136 through 151 removed outlier: 3.726A pdb=" N THR L 141 " --> pdb=" O GLN L 137 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ALA L 142 " --> pdb=" O ALA L 138 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N GLU L 148 " --> pdb=" O ASP L 144 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N LYS L 149 " --> pdb=" O GLY L 145 " (cutoff:3.500A) Processing helix chain 'L' and resid 162 through 171 removed outlier: 3.624A pdb=" N ALA L 166 " --> pdb=" O THR L 162 " (cutoff:3.500A) Processing helix chain 'L' and resid 200 through 215 removed outlier: 3.572A pdb=" N ALA L 204 " --> pdb=" O ALA L 200 " (cutoff:3.500A) Processing helix chain 'L' and resid 245 through 253 removed outlier: 3.765A pdb=" N LEU L 249 " --> pdb=" O CYS L 245 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N ASN L 251 " --> pdb=" O ALA L 247 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA L 253 " --> pdb=" O LEU L 249 " (cutoff:3.500A) Processing helix chain 'L' and resid 275 through 279 Processing helix chain 'L' and resid 280 through 298 removed outlier: 3.769A pdb=" N VAL L 284 " --> pdb=" O PHE L 280 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N LEU L 289 " --> pdb=" O ARG L 285 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ASP L 292 " --> pdb=" O ASP L 288 " (cutoff:3.500A) Processing helix chain 'L' and resid 307 through 327 Processing helix chain 'L' and resid 347 through 350 Processing helix chain 'K' and resid 51 through 60 removed outlier: 3.855A pdb=" N ALA K 58 " --> pdb=" O ASP K 54 " (cutoff:3.500A) Processing helix chain 'K' and resid 65 through 76 removed outlier: 3.554A pdb=" N ARG K 75 " --> pdb=" O ALA K 71 " (cutoff:3.500A) Processing helix chain 'K' and resid 90 through 100 removed outlier: 3.662A pdb=" N ALA K 95 " --> pdb=" O PRO K 91 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N SER K 96 " --> pdb=" O GLU K 92 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ALA K 97 " --> pdb=" O ALA K 93 " (cutoff:3.500A) Processing helix chain 'K' and resid 109 through 116 Processing helix chain 'K' and resid 117 through 122 Processing helix chain 'K' and resid 136 through 151 removed outlier: 3.719A pdb=" N THR K 141 " --> pdb=" O GLN K 137 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ALA K 142 " --> pdb=" O ALA K 138 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N GLU K 148 " --> pdb=" O ASP K 144 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N LYS K 149 " --> pdb=" O GLY K 145 " (cutoff:3.500A) Processing helix chain 'K' and resid 162 through 171 removed outlier: 3.626A pdb=" N ALA K 166 " --> pdb=" O THR K 162 " (cutoff:3.500A) Processing helix chain 'K' and resid 200 through 215 removed outlier: 3.579A pdb=" N ALA K 204 " --> pdb=" O ALA K 200 " (cutoff:3.500A) Processing helix chain 'K' and resid 245 through 253 removed outlier: 3.765A pdb=" N LEU K 249 " --> pdb=" O CYS K 245 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N ASN K 251 " --> pdb=" O ALA K 247 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N ALA K 253 " --> pdb=" O LEU K 249 " (cutoff:3.500A) Processing helix chain 'K' and resid 275 through 279 Processing helix chain 'K' and resid 280 through 298 removed outlier: 3.772A pdb=" N VAL K 284 " --> pdb=" O PHE K 280 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N LEU K 289 " --> pdb=" O ARG K 285 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ASP K 292 " --> pdb=" O ASP K 288 " (cutoff:3.500A) Processing helix chain 'K' and resid 307 through 327 Processing helix chain 'K' and resid 347 through 350 Processing helix chain 'J' and resid 51 through 60 removed outlier: 3.862A pdb=" N ALA J 58 " --> pdb=" O ASP J 54 " (cutoff:3.500A) Processing helix chain 'J' and resid 65 through 76 removed outlier: 3.554A pdb=" N ARG J 75 " --> pdb=" O ALA J 71 " (cutoff:3.500A) Processing helix chain 'J' and resid 90 through 100 removed outlier: 3.663A pdb=" N ALA J 95 " --> pdb=" O PRO J 91 " (cutoff:3.500A) removed outlier: 4.101A pdb=" N SER J 96 " --> pdb=" O GLU J 92 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N ALA J 97 " --> pdb=" O ALA J 93 " (cutoff:3.500A) Processing helix chain 'J' and resid 109 through 116 Processing helix chain 'J' and resid 117 through 122 Processing helix chain 'J' and resid 136 through 151 removed outlier: 3.728A pdb=" N THR J 141 " --> pdb=" O GLN J 137 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N ALA J 142 " --> pdb=" O ALA J 138 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLU J 148 " --> pdb=" O ASP J 144 " (cutoff:3.500A) removed outlier: 3.696A pdb=" N LYS J 149 " --> pdb=" O GLY J 145 " (cutoff:3.500A) Processing helix chain 'J' and resid 162 through 171 removed outlier: 3.619A pdb=" N ALA J 166 " --> pdb=" O THR J 162 " (cutoff:3.500A) Processing helix chain 'J' and resid 200 through 215 removed outlier: 3.575A pdb=" N ALA J 204 " --> pdb=" O ALA J 200 " (cutoff:3.500A) Processing helix chain 'J' and resid 245 through 253 removed outlier: 3.763A pdb=" N LEU J 249 " --> pdb=" O CYS J 245 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N ASN J 251 " --> pdb=" O ALA J 247 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA J 253 " --> pdb=" O LEU J 249 " (cutoff:3.500A) Processing helix chain 'J' and resid 275 through 279 Processing helix chain 'J' and resid 280 through 298 removed outlier: 3.773A pdb=" N VAL J 284 " --> pdb=" O PHE J 280 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N LEU J 289 " --> pdb=" O ARG J 285 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N ASP J 292 " --> pdb=" O ASP J 288 " (cutoff:3.500A) Processing helix chain 'J' and resid 307 through 327 Processing helix chain 'J' and resid 347 through 350 Processing helix chain 'I' and resid 51 through 60 removed outlier: 3.860A pdb=" N ALA I 58 " --> pdb=" O ASP I 54 " (cutoff:3.500A) Processing helix chain 'I' and resid 65 through 76 removed outlier: 3.554A pdb=" N ARG I 75 " --> pdb=" O ALA I 71 " (cutoff:3.500A) Processing helix chain 'I' and resid 90 through 100 removed outlier: 3.672A pdb=" N ALA I 95 " --> pdb=" O PRO I 91 " (cutoff:3.500A) removed outlier: 4.099A pdb=" N SER I 96 " --> pdb=" O GLU I 92 " (cutoff:3.500A) removed outlier: 3.877A pdb=" N ALA I 97 " --> pdb=" O ALA I 93 " (cutoff:3.500A) Processing helix chain 'I' and resid 109 through 116 Processing helix chain 'I' and resid 117 through 122 Processing helix chain 'I' and resid 136 through 151 removed outlier: 3.721A pdb=" N THR I 141 " --> pdb=" O GLN I 137 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N ALA I 142 " --> pdb=" O ALA I 138 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N GLU I 148 " --> pdb=" O ASP I 144 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N LYS I 149 " --> pdb=" O GLY I 145 " (cutoff:3.500A) Processing helix chain 'I' and resid 162 through 171 removed outlier: 3.620A pdb=" N ALA I 166 " --> pdb=" O THR I 162 " (cutoff:3.500A) Processing helix chain 'I' and resid 200 through 215 removed outlier: 3.583A pdb=" N ALA I 204 " --> pdb=" O ALA I 200 " (cutoff:3.500A) Processing helix chain 'I' and resid 245 through 253 removed outlier: 3.763A pdb=" N LEU I 249 " --> pdb=" O CYS I 245 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASN I 251 " --> pdb=" O ALA I 247 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ALA I 253 " --> pdb=" O LEU I 249 " (cutoff:3.500A) Processing helix chain 'I' and resid 275 through 279 Processing helix chain 'I' and resid 280 through 298 removed outlier: 3.772A pdb=" N VAL I 284 " --> pdb=" O PHE I 280 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N LEU I 289 " --> pdb=" O ARG I 285 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ASP I 292 " --> pdb=" O ASP I 288 " (cutoff:3.500A) Processing helix chain 'I' and resid 307 through 327 Processing helix chain 'I' and resid 347 through 350 Processing helix chain 'M' and resid 51 through 60 removed outlier: 3.861A pdb=" N ALA M 58 " --> pdb=" O ASP M 54 " (cutoff:3.500A) Processing helix chain 'M' and resid 65 through 76 removed outlier: 3.558A pdb=" N ARG M 75 " --> pdb=" O ALA M 71 " (cutoff:3.500A) Processing helix chain 'M' and resid 90 through 100 removed outlier: 3.662A pdb=" N ALA M 95 " --> pdb=" O PRO M 91 " (cutoff:3.500A) removed outlier: 4.101A pdb=" N SER M 96 " --> pdb=" O GLU M 92 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N ALA M 97 " --> pdb=" O ALA M 93 " (cutoff:3.500A) Processing helix chain 'M' and resid 109 through 116 Processing helix chain 'M' and resid 117 through 122 Processing helix chain 'M' and resid 136 through 151 removed outlier: 3.729A pdb=" N THR M 141 " --> pdb=" O GLN M 137 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N ALA M 142 " --> pdb=" O ALA M 138 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N GLU M 148 " --> pdb=" O ASP M 144 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N LYS M 149 " --> pdb=" O GLY M 145 " (cutoff:3.500A) Processing helix chain 'M' and resid 162 through 171 removed outlier: 3.620A pdb=" N ALA M 166 " --> pdb=" O THR M 162 " (cutoff:3.500A) Processing helix chain 'M' and resid 200 through 215 removed outlier: 3.574A pdb=" N ALA M 204 " --> pdb=" O ALA M 200 " (cutoff:3.500A) Processing helix chain 'M' and resid 245 through 253 removed outlier: 3.762A pdb=" N LEU M 249 " --> pdb=" O CYS M 245 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N ASN M 251 " --> pdb=" O ALA M 247 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ALA M 253 " --> pdb=" O LEU M 249 " (cutoff:3.500A) Processing helix chain 'M' and resid 275 through 279 Processing helix chain 'M' and resid 280 through 298 removed outlier: 3.772A pdb=" N VAL M 284 " --> pdb=" O PHE M 280 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N LEU M 289 " --> pdb=" O ARG M 285 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N ASP M 292 " --> pdb=" O ASP M 288 " (cutoff:3.500A) Processing helix chain 'M' and resid 307 through 327 Processing helix chain 'M' and resid 347 through 350 Processing helix chain 'N' and resid 51 through 60 removed outlier: 3.861A pdb=" N ALA N 58 " --> pdb=" O ASP N 54 " (cutoff:3.500A) Processing helix chain 'N' and resid 65 through 76 removed outlier: 3.553A pdb=" N ARG N 75 " --> pdb=" O ALA N 71 " (cutoff:3.500A) Processing helix chain 'N' and resid 90 through 100 removed outlier: 3.666A pdb=" N ALA N 95 " --> pdb=" O PRO N 91 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N SER N 96 " --> pdb=" O GLU N 92 " (cutoff:3.500A) removed outlier: 3.877A pdb=" N ALA N 97 " --> pdb=" O ALA N 93 " (cutoff:3.500A) Processing helix chain 'N' and resid 109 through 116 Processing helix chain 'N' and resid 117 through 122 Processing helix chain 'N' and resid 136 through 151 removed outlier: 3.728A pdb=" N THR N 141 " --> pdb=" O GLN N 137 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N ALA N 142 " --> pdb=" O ALA N 138 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N GLU N 148 " --> pdb=" O ASP N 144 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N LYS N 149 " --> pdb=" O GLY N 145 " (cutoff:3.500A) Processing helix chain 'N' and resid 162 through 171 removed outlier: 3.620A pdb=" N ALA N 166 " --> pdb=" O THR N 162 " (cutoff:3.500A) Processing helix chain 'N' and resid 200 through 215 removed outlier: 3.583A pdb=" N ALA N 204 " --> pdb=" O ALA N 200 " (cutoff:3.500A) Processing helix chain 'N' and resid 245 through 253 removed outlier: 3.767A pdb=" N LEU N 249 " --> pdb=" O CYS N 245 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN N 251 " --> pdb=" O ALA N 247 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N ALA N 253 " --> pdb=" O LEU N 249 " (cutoff:3.500A) Processing helix chain 'N' and resid 275 through 279 Processing helix chain 'N' and resid 280 through 298 removed outlier: 3.768A pdb=" N VAL N 284 " --> pdb=" O PHE N 280 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N LEU N 289 " --> pdb=" O ARG N 285 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASP N 292 " --> pdb=" O ASP N 288 " (cutoff:3.500A) Processing helix chain 'N' and resid 307 through 327 Processing helix chain 'N' and resid 347 through 350 Processing helix chain 'R' and resid 51 through 60 removed outlier: 3.865A pdb=" N ALA R 58 " --> pdb=" O ASP R 54 " (cutoff:3.500A) Processing helix chain 'R' and resid 65 through 76 removed outlier: 3.557A pdb=" N ARG R 75 " --> pdb=" O ALA R 71 " (cutoff:3.500A) Processing helix chain 'R' and resid 90 through 100 removed outlier: 3.670A pdb=" N ALA R 95 " --> pdb=" O PRO R 91 " (cutoff:3.500A) removed outlier: 4.097A pdb=" N SER R 96 " --> pdb=" O GLU R 92 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N ALA R 97 " --> pdb=" O ALA R 93 " (cutoff:3.500A) Processing helix chain 'R' and resid 109 through 116 Processing helix chain 'R' and resid 117 through 122 Processing helix chain 'R' and resid 136 through 151 removed outlier: 3.719A pdb=" N THR R 141 " --> pdb=" O GLN R 137 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N ALA R 142 " --> pdb=" O ALA R 138 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N GLU R 148 " --> pdb=" O ASP R 144 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N LYS R 149 " --> pdb=" O GLY R 145 " (cutoff:3.500A) Processing helix chain 'R' and resid 162 through 171 removed outlier: 3.621A pdb=" N ALA R 166 " --> pdb=" O THR R 162 " (cutoff:3.500A) Processing helix chain 'R' and resid 200 through 215 removed outlier: 3.579A pdb=" N ALA R 204 " --> pdb=" O ALA R 200 " (cutoff:3.500A) Processing helix chain 'R' and resid 245 through 253 removed outlier: 3.765A pdb=" N LEU R 249 " --> pdb=" O CYS R 245 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ASN R 251 " --> pdb=" O ALA R 247 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N ALA R 253 " --> pdb=" O LEU R 249 " (cutoff:3.500A) Processing helix chain 'R' and resid 275 through 279 Processing helix chain 'R' and resid 280 through 298 removed outlier: 3.773A pdb=" N VAL R 284 " --> pdb=" O PHE R 280 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N LEU R 289 " --> pdb=" O ARG R 285 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N ASP R 292 " --> pdb=" O ASP R 288 " (cutoff:3.500A) Processing helix chain 'R' and resid 307 through 327 Processing helix chain 'R' and resid 347 through 350 Processing helix chain 'Q' and resid 51 through 60 removed outlier: 3.861A pdb=" N ALA Q 58 " --> pdb=" O ASP Q 54 " (cutoff:3.500A) Processing helix chain 'Q' and resid 65 through 76 removed outlier: 3.552A pdb=" N ARG Q 75 " --> pdb=" O ALA Q 71 " (cutoff:3.500A) Processing helix chain 'Q' and resid 90 through 100 removed outlier: 3.661A pdb=" N ALA Q 95 " --> pdb=" O PRO Q 91 " (cutoff:3.500A) removed outlier: 4.101A pdb=" N SER Q 96 " --> pdb=" O GLU Q 92 " (cutoff:3.500A) removed outlier: 3.878A pdb=" N ALA Q 97 " --> pdb=" O ALA Q 93 " (cutoff:3.500A) Processing helix chain 'Q' and resid 109 through 116 Processing helix chain 'Q' and resid 117 through 122 Processing helix chain 'Q' and resid 136 through 151 removed outlier: 3.717A pdb=" N THR Q 141 " --> pdb=" O GLN Q 137 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N ALA Q 142 " --> pdb=" O ALA Q 138 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N GLU Q 148 " --> pdb=" O ASP Q 144 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N LYS Q 149 " --> pdb=" O GLY Q 145 " (cutoff:3.500A) Processing helix chain 'Q' and resid 162 through 171 removed outlier: 3.627A pdb=" N ALA Q 166 " --> pdb=" O THR Q 162 " (cutoff:3.500A) Processing helix chain 'Q' and resid 200 through 215 removed outlier: 3.573A pdb=" N ALA Q 204 " --> pdb=" O ALA Q 200 " (cutoff:3.500A) Processing helix chain 'Q' and resid 245 through 253 removed outlier: 3.767A pdb=" N LEU Q 249 " --> pdb=" O CYS Q 245 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASN Q 251 " --> pdb=" O ALA Q 247 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N ALA Q 253 " --> pdb=" O LEU Q 249 " (cutoff:3.500A) Processing helix chain 'Q' and resid 275 through 279 Processing helix chain 'Q' and resid 280 through 298 removed outlier: 3.770A pdb=" N VAL Q 284 " --> pdb=" O PHE Q 280 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N LEU Q 289 " --> pdb=" O ARG Q 285 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASP Q 292 " --> pdb=" O ASP Q 288 " (cutoff:3.500A) Processing helix chain 'Q' and resid 307 through 327 Processing helix chain 'Q' and resid 347 through 350 Processing helix chain 'P' and resid 51 through 60 removed outlier: 3.857A pdb=" N ALA P 58 " --> pdb=" O ASP P 54 " (cutoff:3.500A) Processing helix chain 'P' and resid 65 through 76 removed outlier: 3.560A pdb=" N ARG P 75 " --> pdb=" O ALA P 71 " (cutoff:3.500A) Processing helix chain 'P' and resid 90 through 100 removed outlier: 3.666A pdb=" N ALA P 95 " --> pdb=" O PRO P 91 " (cutoff:3.500A) removed outlier: 4.102A pdb=" N SER P 96 " --> pdb=" O GLU P 92 " (cutoff:3.500A) removed outlier: 3.878A pdb=" N ALA P 97 " --> pdb=" O ALA P 93 " (cutoff:3.500A) Processing helix chain 'P' and resid 109 through 116 Processing helix chain 'P' and resid 117 through 122 Processing helix chain 'P' and resid 136 through 151 removed outlier: 3.725A pdb=" N THR P 141 " --> pdb=" O GLN P 137 " (cutoff:3.500A) removed outlier: 3.670A pdb=" N ALA P 142 " --> pdb=" O ALA P 138 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N GLU P 148 " --> pdb=" O ASP P 144 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N LYS P 149 " --> pdb=" O GLY P 145 " (cutoff:3.500A) Processing helix chain 'P' and resid 162 through 171 removed outlier: 3.620A pdb=" N ALA P 166 " --> pdb=" O THR P 162 " (cutoff:3.500A) Processing helix chain 'P' and resid 200 through 215 removed outlier: 3.571A pdb=" N ALA P 204 " --> pdb=" O ALA P 200 " (cutoff:3.500A) Processing helix chain 'P' and resid 245 through 253 removed outlier: 3.765A pdb=" N LEU P 249 " --> pdb=" O CYS P 245 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N ASN P 251 " --> pdb=" O ALA P 247 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ALA P 253 " --> pdb=" O LEU P 249 " (cutoff:3.500A) Processing helix chain 'P' and resid 275 through 279 Processing helix chain 'P' and resid 280 through 298 removed outlier: 3.771A pdb=" N VAL P 284 " --> pdb=" O PHE P 280 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N LEU P 289 " --> pdb=" O ARG P 285 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N ASP P 292 " --> pdb=" O ASP P 288 " (cutoff:3.500A) Processing helix chain 'P' and resid 307 through 327 Processing helix chain 'P' and resid 347 through 350 Processing helix chain 'O' and resid 51 through 60 removed outlier: 3.866A pdb=" N ALA O 58 " --> pdb=" O ASP O 54 " (cutoff:3.500A) Processing helix chain 'O' and resid 65 through 76 removed outlier: 3.557A pdb=" N ARG O 75 " --> pdb=" O ALA O 71 " (cutoff:3.500A) Processing helix chain 'O' and resid 90 through 100 removed outlier: 3.659A pdb=" N ALA O 95 " --> pdb=" O PRO O 91 " (cutoff:3.500A) removed outlier: 4.101A pdb=" N SER O 96 " --> pdb=" O GLU O 92 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N ALA O 97 " --> pdb=" O ALA O 93 " (cutoff:3.500A) Processing helix chain 'O' and resid 109 through 116 Processing helix chain 'O' and resid 117 through 122 Processing helix chain 'O' and resid 136 through 151 removed outlier: 3.725A pdb=" N THR O 141 " --> pdb=" O GLN O 137 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N ALA O 142 " --> pdb=" O ALA O 138 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N GLU O 148 " --> pdb=" O ASP O 144 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N LYS O 149 " --> pdb=" O GLY O 145 " (cutoff:3.500A) Processing helix chain 'O' and resid 162 through 171 removed outlier: 3.620A pdb=" N ALA O 166 " --> pdb=" O THR O 162 " (cutoff:3.500A) Processing helix chain 'O' and resid 200 through 215 removed outlier: 3.570A pdb=" N ALA O 204 " --> pdb=" O ALA O 200 " (cutoff:3.500A) Processing helix chain 'O' and resid 245 through 253 removed outlier: 3.765A pdb=" N LEU O 249 " --> pdb=" O CYS O 245 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ASN O 251 " --> pdb=" O ALA O 247 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ALA O 253 " --> pdb=" O LEU O 249 " (cutoff:3.500A) Processing helix chain 'O' and resid 275 through 279 Processing helix chain 'O' and resid 280 through 298 removed outlier: 3.773A pdb=" N VAL O 284 " --> pdb=" O PHE O 280 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N LEU O 289 " --> pdb=" O ARG O 285 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N ASP O 292 " --> pdb=" O ASP O 288 " (cutoff:3.500A) Processing helix chain 'O' and resid 307 through 327 Processing helix chain 'O' and resid 347 through 350 Processing helix chain 'a' and resid 51 through 60 removed outlier: 3.853A pdb=" N ALA a 58 " --> pdb=" O ASP a 54 " (cutoff:3.500A) Processing helix chain 'a' and resid 65 through 76 removed outlier: 3.555A pdb=" N ARG a 75 " --> pdb=" O ALA a 71 " (cutoff:3.500A) Processing helix chain 'a' and resid 90 through 100 removed outlier: 3.664A pdb=" N ALA a 95 " --> pdb=" O PRO a 91 " (cutoff:3.500A) removed outlier: 4.102A pdb=" N SER a 96 " --> pdb=" O GLU a 92 " (cutoff:3.500A) removed outlier: 3.877A pdb=" N ALA a 97 " --> pdb=" O ALA a 93 " (cutoff:3.500A) Processing helix chain 'a' and resid 109 through 116 Processing helix chain 'a' and resid 117 through 122 Processing helix chain 'a' and resid 136 through 151 removed outlier: 3.726A pdb=" N THR a 141 " --> pdb=" O GLN a 137 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N ALA a 142 " --> pdb=" O ALA a 138 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N GLU a 148 " --> pdb=" O ASP a 144 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N LYS a 149 " --> pdb=" O GLY a 145 " (cutoff:3.500A) Processing helix chain 'a' and resid 162 through 171 removed outlier: 3.621A pdb=" N ALA a 166 " --> pdb=" O THR a 162 " (cutoff:3.500A) Processing helix chain 'a' and resid 200 through 215 removed outlier: 3.571A pdb=" N ALA a 204 " --> pdb=" O ALA a 200 " (cutoff:3.500A) Processing helix chain 'a' and resid 245 through 253 removed outlier: 3.763A pdb=" N LEU a 249 " --> pdb=" O CYS a 245 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASN a 251 " --> pdb=" O ALA a 247 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N ALA a 253 " --> pdb=" O LEU a 249 " (cutoff:3.500A) Processing helix chain 'a' and resid 275 through 279 Processing helix chain 'a' and resid 280 through 298 removed outlier: 3.773A pdb=" N VAL a 284 " --> pdb=" O PHE a 280 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEU a 289 " --> pdb=" O ARG a 285 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ASP a 292 " --> pdb=" O ASP a 288 " (cutoff:3.500A) Processing helix chain 'a' and resid 307 through 327 Processing helix chain 'a' and resid 347 through 350 Processing helix chain 'b' and resid 51 through 60 removed outlier: 3.858A pdb=" N ALA b 58 " --> pdb=" O ASP b 54 " (cutoff:3.500A) Processing helix chain 'b' and resid 65 through 76 removed outlier: 3.554A pdb=" N ARG b 75 " --> pdb=" O ALA b 71 " (cutoff:3.500A) Processing helix chain 'b' and resid 90 through 100 removed outlier: 3.663A pdb=" N ALA b 95 " --> pdb=" O PRO b 91 " (cutoff:3.500A) removed outlier: 4.105A pdb=" N SER b 96 " --> pdb=" O GLU b 92 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N ALA b 97 " --> pdb=" O ALA b 93 " (cutoff:3.500A) Processing helix chain 'b' and resid 109 through 116 Processing helix chain 'b' and resid 117 through 122 Processing helix chain 'b' and resid 136 through 151 removed outlier: 3.728A pdb=" N THR b 141 " --> pdb=" O GLN b 137 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N ALA b 142 " --> pdb=" O ALA b 138 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N GLU b 148 " --> pdb=" O ASP b 144 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N LYS b 149 " --> pdb=" O GLY b 145 " (cutoff:3.500A) Processing helix chain 'b' and resid 162 through 171 removed outlier: 3.623A pdb=" N ALA b 166 " --> pdb=" O THR b 162 " (cutoff:3.500A) Processing helix chain 'b' and resid 200 through 215 removed outlier: 3.567A pdb=" N ALA b 204 " --> pdb=" O ALA b 200 " (cutoff:3.500A) Processing helix chain 'b' and resid 245 through 253 removed outlier: 3.763A pdb=" N LEU b 249 " --> pdb=" O CYS b 245 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N ASN b 251 " --> pdb=" O ALA b 247 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA b 253 " --> pdb=" O LEU b 249 " (cutoff:3.500A) Processing helix chain 'b' and resid 275 through 279 Processing helix chain 'b' and resid 280 through 298 removed outlier: 3.771A pdb=" N VAL b 284 " --> pdb=" O PHE b 280 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N LEU b 289 " --> pdb=" O ARG b 285 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ASP b 292 " --> pdb=" O ASP b 288 " (cutoff:3.500A) Processing helix chain 'b' and resid 307 through 327 Processing helix chain 'b' and resid 347 through 350 Processing helix chain 'f' and resid 51 through 60 removed outlier: 3.861A pdb=" N ALA f 58 " --> pdb=" O ASP f 54 " (cutoff:3.500A) Processing helix chain 'f' and resid 65 through 76 removed outlier: 3.561A pdb=" N ARG f 75 " --> pdb=" O ALA f 71 " (cutoff:3.500A) Processing helix chain 'f' and resid 90 through 100 removed outlier: 3.665A pdb=" N ALA f 95 " --> pdb=" O PRO f 91 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N SER f 96 " --> pdb=" O GLU f 92 " (cutoff:3.500A) removed outlier: 3.878A pdb=" N ALA f 97 " --> pdb=" O ALA f 93 " (cutoff:3.500A) Processing helix chain 'f' and resid 109 through 116 Processing helix chain 'f' and resid 117 through 122 Processing helix chain 'f' and resid 136 through 151 removed outlier: 3.725A pdb=" N THR f 141 " --> pdb=" O GLN f 137 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N ALA f 142 " --> pdb=" O ALA f 138 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N GLU f 148 " --> pdb=" O ASP f 144 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N LYS f 149 " --> pdb=" O GLY f 145 " (cutoff:3.500A) Processing helix chain 'f' and resid 162 through 171 removed outlier: 3.621A pdb=" N ALA f 166 " --> pdb=" O THR f 162 " (cutoff:3.500A) Processing helix chain 'f' and resid 200 through 215 removed outlier: 3.567A pdb=" N ALA f 204 " --> pdb=" O ALA f 200 " (cutoff:3.500A) Processing helix chain 'f' and resid 245 through 253 removed outlier: 3.765A pdb=" N LEU f 249 " --> pdb=" O CYS f 245 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N ASN f 251 " --> pdb=" O ALA f 247 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N ALA f 253 " --> pdb=" O LEU f 249 " (cutoff:3.500A) Processing helix chain 'f' and resid 275 through 279 Processing helix chain 'f' and resid 280 through 298 removed outlier: 3.773A pdb=" N VAL f 284 " --> pdb=" O PHE f 280 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N LEU f 289 " --> pdb=" O ARG f 285 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ASP f 292 " --> pdb=" O ASP f 288 " (cutoff:3.500A) Processing helix chain 'f' and resid 307 through 327 Processing helix chain 'f' and resid 347 through 350 Processing helix chain 'e' and resid 51 through 60 removed outlier: 3.861A pdb=" N ALA e 58 " --> pdb=" O ASP e 54 " (cutoff:3.500A) Processing helix chain 'e' and resid 65 through 76 removed outlier: 3.559A pdb=" N ARG e 75 " --> pdb=" O ALA e 71 " (cutoff:3.500A) Processing helix chain 'e' and resid 90 through 100 removed outlier: 3.659A pdb=" N ALA e 95 " --> pdb=" O PRO e 91 " (cutoff:3.500A) removed outlier: 4.102A pdb=" N SER e 96 " --> pdb=" O GLU e 92 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N ALA e 97 " --> pdb=" O ALA e 93 " (cutoff:3.500A) Processing helix chain 'e' and resid 109 through 116 Processing helix chain 'e' and resid 117 through 122 Processing helix chain 'e' and resid 136 through 151 removed outlier: 3.724A pdb=" N THR e 141 " --> pdb=" O GLN e 137 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N ALA e 142 " --> pdb=" O ALA e 138 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N GLU e 148 " --> pdb=" O ASP e 144 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N LYS e 149 " --> pdb=" O GLY e 145 " (cutoff:3.500A) Processing helix chain 'e' and resid 162 through 171 removed outlier: 3.621A pdb=" N ALA e 166 " --> pdb=" O THR e 162 " (cutoff:3.500A) Processing helix chain 'e' and resid 200 through 215 removed outlier: 3.578A pdb=" N ALA e 204 " --> pdb=" O ALA e 200 " (cutoff:3.500A) Processing helix chain 'e' and resid 245 through 253 removed outlier: 3.761A pdb=" N LEU e 249 " --> pdb=" O CYS e 245 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASN e 251 " --> pdb=" O ALA e 247 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ALA e 253 " --> pdb=" O LEU e 249 " (cutoff:3.500A) Processing helix chain 'e' and resid 275 through 279 Processing helix chain 'e' and resid 280 through 298 removed outlier: 3.772A pdb=" N VAL e 284 " --> pdb=" O PHE e 280 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N LEU e 289 " --> pdb=" O ARG e 285 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N ASP e 292 " --> pdb=" O ASP e 288 " (cutoff:3.500A) Processing helix chain 'e' and resid 307 through 327 Processing helix chain 'e' and resid 347 through 350 Processing helix chain 'd' and resid 51 through 60 removed outlier: 3.860A pdb=" N ALA d 58 " --> pdb=" O ASP d 54 " (cutoff:3.500A) Processing helix chain 'd' and resid 65 through 76 removed outlier: 3.554A pdb=" N ARG d 75 " --> pdb=" O ALA d 71 " (cutoff:3.500A) Processing helix chain 'd' and resid 90 through 100 removed outlier: 3.658A pdb=" N ALA d 95 " --> pdb=" O PRO d 91 " (cutoff:3.500A) removed outlier: 4.105A pdb=" N SER d 96 " --> pdb=" O GLU d 92 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N ALA d 97 " --> pdb=" O ALA d 93 " (cutoff:3.500A) Processing helix chain 'd' and resid 109 through 116 Processing helix chain 'd' and resid 117 through 122 Processing helix chain 'd' and resid 136 through 151 removed outlier: 3.728A pdb=" N THR d 141 " --> pdb=" O GLN d 137 " (cutoff:3.500A) removed outlier: 3.670A pdb=" N ALA d 142 " --> pdb=" O ALA d 138 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N GLU d 148 " --> pdb=" O ASP d 144 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N LYS d 149 " --> pdb=" O GLY d 145 " (cutoff:3.500A) Processing helix chain 'd' and resid 162 through 171 removed outlier: 3.623A pdb=" N ALA d 166 " --> pdb=" O THR d 162 " (cutoff:3.500A) Processing helix chain 'd' and resid 200 through 215 removed outlier: 3.564A pdb=" N ALA d 204 " --> pdb=" O ALA d 200 " (cutoff:3.500A) Processing helix chain 'd' and resid 245 through 253 removed outlier: 3.763A pdb=" N LEU d 249 " --> pdb=" O CYS d 245 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N ASN d 251 " --> pdb=" O ALA d 247 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N ALA d 253 " --> pdb=" O LEU d 249 " (cutoff:3.500A) Processing helix chain 'd' and resid 275 through 279 Processing helix chain 'd' and resid 280 through 298 removed outlier: 3.772A pdb=" N VAL d 284 " --> pdb=" O PHE d 280 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N LEU d 289 " --> pdb=" O ARG d 285 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ASP d 292 " --> pdb=" O ASP d 288 " (cutoff:3.500A) Processing helix chain 'd' and resid 307 through 327 Processing helix chain 'd' and resid 347 through 350 Processing helix chain 'c' and resid 51 through 60 removed outlier: 3.858A pdb=" N ALA c 58 " --> pdb=" O ASP c 54 " (cutoff:3.500A) Processing helix chain 'c' and resid 65 through 76 removed outlier: 3.557A pdb=" N ARG c 75 " --> pdb=" O ALA c 71 " (cutoff:3.500A) Processing helix chain 'c' and resid 90 through 100 removed outlier: 3.660A pdb=" N ALA c 95 " --> pdb=" O PRO c 91 " (cutoff:3.500A) removed outlier: 4.103A pdb=" N SER c 96 " --> pdb=" O GLU c 92 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N ALA c 97 " --> pdb=" O ALA c 93 " (cutoff:3.500A) Processing helix chain 'c' and resid 109 through 116 Processing helix chain 'c' and resid 117 through 122 Processing helix chain 'c' and resid 136 through 151 removed outlier: 3.723A pdb=" N THR c 141 " --> pdb=" O GLN c 137 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N ALA c 142 " --> pdb=" O ALA c 138 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N GLU c 148 " --> pdb=" O ASP c 144 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N LYS c 149 " --> pdb=" O GLY c 145 " (cutoff:3.500A) Processing helix chain 'c' and resid 162 through 171 removed outlier: 3.625A pdb=" N ALA c 166 " --> pdb=" O THR c 162 " (cutoff:3.500A) Processing helix chain 'c' and resid 200 through 215 removed outlier: 3.569A pdb=" N ALA c 204 " --> pdb=" O ALA c 200 " (cutoff:3.500A) Processing helix chain 'c' and resid 245 through 253 removed outlier: 3.762A pdb=" N LEU c 249 " --> pdb=" O CYS c 245 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N ASN c 251 " --> pdb=" O ALA c 247 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ALA c 253 " --> pdb=" O LEU c 249 " (cutoff:3.500A) Processing helix chain 'c' and resid 275 through 279 Processing helix chain 'c' and resid 280 through 298 removed outlier: 3.772A pdb=" N VAL c 284 " --> pdb=" O PHE c 280 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N LEU c 289 " --> pdb=" O ARG c 285 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N ASP c 292 " --> pdb=" O ASP c 288 " (cutoff:3.500A) Processing helix chain 'c' and resid 307 through 327 Processing helix chain 'c' and resid 347 through 350 Processing helix chain 'g' and resid 51 through 60 removed outlier: 3.854A pdb=" N ALA g 58 " --> pdb=" O ASP g 54 " (cutoff:3.500A) Processing helix chain 'g' and resid 65 through 76 removed outlier: 3.557A pdb=" N ARG g 75 " --> pdb=" O ALA g 71 " (cutoff:3.500A) Processing helix chain 'g' and resid 90 through 100 removed outlier: 3.664A pdb=" N ALA g 95 " --> pdb=" O PRO g 91 " (cutoff:3.500A) removed outlier: 4.102A pdb=" N SER g 96 " --> pdb=" O GLU g 92 " (cutoff:3.500A) removed outlier: 3.872A pdb=" N ALA g 97 " --> pdb=" O ALA g 93 " (cutoff:3.500A) Processing helix chain 'g' and resid 109 through 116 Processing helix chain 'g' and resid 117 through 122 Processing helix chain 'g' and resid 136 through 151 removed outlier: 3.726A pdb=" N THR g 141 " --> pdb=" O GLN g 137 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N ALA g 142 " --> pdb=" O ALA g 138 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N GLU g 148 " --> pdb=" O ASP g 144 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N LYS g 149 " --> pdb=" O GLY g 145 " (cutoff:3.500A) Processing helix chain 'g' and resid 162 through 171 removed outlier: 3.619A pdb=" N ALA g 166 " --> pdb=" O THR g 162 " (cutoff:3.500A) Processing helix chain 'g' and resid 200 through 215 removed outlier: 3.571A pdb=" N ALA g 204 " --> pdb=" O ALA g 200 " (cutoff:3.500A) Processing helix chain 'g' and resid 245 through 253 removed outlier: 3.763A pdb=" N LEU g 249 " --> pdb=" O CYS g 245 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N ASN g 251 " --> pdb=" O ALA g 247 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N ALA g 253 " --> pdb=" O LEU g 249 " (cutoff:3.500A) Processing helix chain 'g' and resid 275 through 279 Processing helix chain 'g' and resid 280 through 298 removed outlier: 3.773A pdb=" N VAL g 284 " --> pdb=" O PHE g 280 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N LEU g 289 " --> pdb=" O ARG g 285 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ASP g 292 " --> pdb=" O ASP g 288 " (cutoff:3.500A) Processing helix chain 'g' and resid 307 through 327 Processing helix chain 'g' and resid 347 through 351 Processing helix chain 'h' and resid 51 through 60 removed outlier: 3.856A pdb=" N ALA h 58 " --> pdb=" O ASP h 54 " (cutoff:3.500A) Processing helix chain 'h' and resid 65 through 76 removed outlier: 3.553A pdb=" N ARG h 75 " --> pdb=" O ALA h 71 " (cutoff:3.500A) Processing helix chain 'h' and resid 90 through 100 removed outlier: 3.668A pdb=" N ALA h 95 " --> pdb=" O PRO h 91 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N SER h 96 " --> pdb=" O GLU h 92 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N ALA h 97 " --> pdb=" O ALA h 93 " (cutoff:3.500A) Processing helix chain 'h' and resid 109 through 116 Processing helix chain 'h' and resid 117 through 122 Processing helix chain 'h' and resid 136 through 151 removed outlier: 3.727A pdb=" N THR h 141 " --> pdb=" O GLN h 137 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N ALA h 142 " --> pdb=" O ALA h 138 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N GLU h 148 " --> pdb=" O ASP h 144 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N LYS h 149 " --> pdb=" O GLY h 145 " (cutoff:3.500A) Processing helix chain 'h' and resid 162 through 171 removed outlier: 3.623A pdb=" N ALA h 166 " --> pdb=" O THR h 162 " (cutoff:3.500A) Processing helix chain 'h' and resid 200 through 215 removed outlier: 3.571A pdb=" N ALA h 204 " --> pdb=" O ALA h 200 " (cutoff:3.500A) Processing helix chain 'h' and resid 245 through 253 removed outlier: 3.765A pdb=" N LEU h 249 " --> pdb=" O CYS h 245 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N ASN h 251 " --> pdb=" O ALA h 247 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N ALA h 253 " --> pdb=" O LEU h 249 " (cutoff:3.500A) Processing helix chain 'h' and resid 275 through 279 Processing helix chain 'h' and resid 280 through 298 removed outlier: 3.774A pdb=" N VAL h 284 " --> pdb=" O PHE h 280 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N LEU h 289 " --> pdb=" O ARG h 285 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N ASP h 292 " --> pdb=" O ASP h 288 " (cutoff:3.500A) Processing helix chain 'h' and resid 307 through 327 Processing helix chain 'h' and resid 347 through 351 Processing helix chain 'l' and resid 51 through 60 removed outlier: 3.859A pdb=" N ALA l 58 " --> pdb=" O ASP l 54 " (cutoff:3.500A) Processing helix chain 'l' and resid 65 through 76 removed outlier: 3.555A pdb=" N ARG l 75 " --> pdb=" O ALA l 71 " (cutoff:3.500A) Processing helix chain 'l' and resid 90 through 100 removed outlier: 3.667A pdb=" N ALA l 95 " --> pdb=" O PRO l 91 " (cutoff:3.500A) removed outlier: 4.104A pdb=" N SER l 96 " --> pdb=" O GLU l 92 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N ALA l 97 " --> pdb=" O ALA l 93 " (cutoff:3.500A) Processing helix chain 'l' and resid 109 through 116 Processing helix chain 'l' and resid 117 through 122 Processing helix chain 'l' and resid 136 through 151 removed outlier: 3.728A pdb=" N THR l 141 " --> pdb=" O GLN l 137 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N ALA l 142 " --> pdb=" O ALA l 138 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N GLU l 148 " --> pdb=" O ASP l 144 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N LYS l 149 " --> pdb=" O GLY l 145 " (cutoff:3.500A) Processing helix chain 'l' and resid 162 through 171 removed outlier: 3.624A pdb=" N ALA l 166 " --> pdb=" O THR l 162 " (cutoff:3.500A) Processing helix chain 'l' and resid 200 through 215 removed outlier: 3.577A pdb=" N ALA l 204 " --> pdb=" O ALA l 200 " (cutoff:3.500A) Processing helix chain 'l' and resid 245 through 253 removed outlier: 3.764A pdb=" N LEU l 249 " --> pdb=" O CYS l 245 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ASN l 251 " --> pdb=" O ALA l 247 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N ALA l 253 " --> pdb=" O LEU l 249 " (cutoff:3.500A) Processing helix chain 'l' and resid 275 through 279 Processing helix chain 'l' and resid 280 through 298 removed outlier: 3.772A pdb=" N VAL l 284 " --> pdb=" O PHE l 280 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N LEU l 289 " --> pdb=" O ARG l 285 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N ASP l 292 " --> pdb=" O ASP l 288 " (cutoff:3.500A) Processing helix chain 'l' and resid 307 through 327 Processing helix chain 'l' and resid 347 through 351 Processing helix chain 'k' and resid 51 through 60 removed outlier: 3.854A pdb=" N ALA k 58 " --> pdb=" O ASP k 54 " (cutoff:3.500A) Processing helix chain 'k' and resid 65 through 76 removed outlier: 3.558A pdb=" N ARG k 75 " --> pdb=" O ALA k 71 " (cutoff:3.500A) Processing helix chain 'k' and resid 90 through 100 removed outlier: 3.666A pdb=" N ALA k 95 " --> pdb=" O PRO k 91 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N SER k 96 " --> pdb=" O GLU k 92 " (cutoff:3.500A) removed outlier: 3.878A pdb=" N ALA k 97 " --> pdb=" O ALA k 93 " (cutoff:3.500A) Processing helix chain 'k' and resid 109 through 116 Processing helix chain 'k' and resid 117 through 122 Processing helix chain 'k' and resid 136 through 151 removed outlier: 3.732A pdb=" N THR k 141 " --> pdb=" O GLN k 137 " (cutoff:3.500A) removed outlier: 3.670A pdb=" N ALA k 142 " --> pdb=" O ALA k 138 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N GLU k 148 " --> pdb=" O ASP k 144 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N LYS k 149 " --> pdb=" O GLY k 145 " (cutoff:3.500A) Processing helix chain 'k' and resid 162 through 171 removed outlier: 3.625A pdb=" N ALA k 166 " --> pdb=" O THR k 162 " (cutoff:3.500A) Processing helix chain 'k' and resid 200 through 215 removed outlier: 3.582A pdb=" N ALA k 204 " --> pdb=" O ALA k 200 " (cutoff:3.500A) Processing helix chain 'k' and resid 245 through 253 removed outlier: 3.760A pdb=" N LEU k 249 " --> pdb=" O CYS k 245 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N ASN k 251 " --> pdb=" O ALA k 247 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N ALA k 253 " --> pdb=" O LEU k 249 " (cutoff:3.500A) Processing helix chain 'k' and resid 275 through 279 Processing helix chain 'k' and resid 280 through 298 removed outlier: 3.772A pdb=" N VAL k 284 " --> pdb=" O PHE k 280 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N LEU k 289 " --> pdb=" O ARG k 285 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N ASP k 292 " --> pdb=" O ASP k 288 " (cutoff:3.500A) Processing helix chain 'k' and resid 307 through 327 Processing helix chain 'k' and resid 347 through 351 Processing helix chain 'j' and resid 51 through 60 removed outlier: 3.854A pdb=" N ALA j 58 " --> pdb=" O ASP j 54 " (cutoff:3.500A) Processing helix chain 'j' and resid 65 through 76 removed outlier: 3.554A pdb=" N ARG j 75 " --> pdb=" O ALA j 71 " (cutoff:3.500A) Processing helix chain 'j' and resid 90 through 100 removed outlier: 3.662A pdb=" N ALA j 95 " --> pdb=" O PRO j 91 " (cutoff:3.500A) removed outlier: 4.103A pdb=" N SER j 96 " --> pdb=" O GLU j 92 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N ALA j 97 " --> pdb=" O ALA j 93 " (cutoff:3.500A) Processing helix chain 'j' and resid 109 through 116 Processing helix chain 'j' and resid 117 through 122 Processing helix chain 'j' and resid 136 through 151 removed outlier: 3.731A pdb=" N THR j 141 " --> pdb=" O GLN j 137 " (cutoff:3.500A) removed outlier: 3.670A pdb=" N ALA j 142 " --> pdb=" O ALA j 138 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N GLU j 148 " --> pdb=" O ASP j 144 " (cutoff:3.500A) removed outlier: 3.689A pdb=" N LYS j 149 " --> pdb=" O GLY j 145 " (cutoff:3.500A) Processing helix chain 'j' and resid 162 through 171 removed outlier: 3.621A pdb=" N ALA j 166 " --> pdb=" O THR j 162 " (cutoff:3.500A) Processing helix chain 'j' and resid 200 through 215 removed outlier: 3.581A pdb=" N ALA j 204 " --> pdb=" O ALA j 200 " (cutoff:3.500A) Processing helix chain 'j' and resid 245 through 253 removed outlier: 3.764A pdb=" N LEU j 249 " --> pdb=" O CYS j 245 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ASN j 251 " --> pdb=" O ALA j 247 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA j 253 " --> pdb=" O LEU j 249 " (cutoff:3.500A) Processing helix chain 'j' and resid 275 through 279 Processing helix chain 'j' and resid 280 through 298 removed outlier: 3.771A pdb=" N VAL j 284 " --> pdb=" O PHE j 280 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N LEU j 289 " --> pdb=" O ARG j 285 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ASP j 292 " --> pdb=" O ASP j 288 " (cutoff:3.500A) Processing helix chain 'j' and resid 307 through 327 Processing helix chain 'j' and resid 347 through 351 Processing helix chain 'i' and resid 51 through 60 removed outlier: 3.859A pdb=" N ALA i 58 " --> pdb=" O ASP i 54 " (cutoff:3.500A) Processing helix chain 'i' and resid 65 through 76 removed outlier: 3.554A pdb=" N ARG i 75 " --> pdb=" O ALA i 71 " (cutoff:3.500A) Processing helix chain 'i' and resid 90 through 100 removed outlier: 3.667A pdb=" N ALA i 95 " --> pdb=" O PRO i 91 " (cutoff:3.500A) removed outlier: 4.104A pdb=" N SER i 96 " --> pdb=" O GLU i 92 " (cutoff:3.500A) removed outlier: 3.877A pdb=" N ALA i 97 " --> pdb=" O ALA i 93 " (cutoff:3.500A) Processing helix chain 'i' and resid 109 through 116 Processing helix chain 'i' and resid 117 through 122 Processing helix chain 'i' and resid 136 through 151 removed outlier: 3.731A pdb=" N THR i 141 " --> pdb=" O GLN i 137 " (cutoff:3.500A) removed outlier: 3.670A pdb=" N ALA i 142 " --> pdb=" O ALA i 138 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N GLU i 148 " --> pdb=" O ASP i 144 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N LYS i 149 " --> pdb=" O GLY i 145 " (cutoff:3.500A) Processing helix chain 'i' and resid 162 through 171 removed outlier: 3.622A pdb=" N ALA i 166 " --> pdb=" O THR i 162 " (cutoff:3.500A) Processing helix chain 'i' and resid 200 through 215 removed outlier: 3.576A pdb=" N ALA i 204 " --> pdb=" O ALA i 200 " (cutoff:3.500A) Processing helix chain 'i' and resid 245 through 253 removed outlier: 3.764A pdb=" N LEU i 249 " --> pdb=" O CYS i 245 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ASN i 251 " --> pdb=" O ALA i 247 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N ALA i 253 " --> pdb=" O LEU i 249 " (cutoff:3.500A) Processing helix chain 'i' and resid 275 through 279 Processing helix chain 'i' and resid 280 through 298 removed outlier: 3.771A pdb=" N VAL i 284 " --> pdb=" O PHE i 280 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N LEU i 289 " --> pdb=" O ARG i 285 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N ASP i 292 " --> pdb=" O ASP i 288 " (cutoff:3.500A) Processing helix chain 'i' and resid 307 through 327 Processing helix chain 'i' and resid 347 through 351 Processing sheet with id= A, first strand: chain 'A' and resid 28 through 29 removed outlier: 6.028A pdb=" N GLY A 28 " --> pdb=" O VAL A 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= A Processing sheet with id= B, first strand: chain 'A' and resid 32 through 33 Processing sheet with id= C, first strand: chain 'A' and resid 47 through 48 Processing sheet with id= D, first strand: chain 'A' and resid 186 through 189 removed outlier: 3.780A pdb=" N ALA A 194 " --> pdb=" O ASP A 189 " (cutoff:3.500A) Processing sheet with id= E, first strand: chain 'A' and resid 257 through 259 removed outlier: 3.867A pdb=" N ARG A 265 " --> pdb=" O ILE A 259 " (cutoff:3.500A) Processing sheet with id= F, first strand: chain 'A' and resid 331 through 337 removed outlier: 7.177A pdb=" N THR A 360 " --> pdb=" O ILE A 332 " (cutoff:3.500A) removed outlier: 4.665A pdb=" N PHE A 334 " --> pdb=" O ARG A 358 " (cutoff:3.500A) removed outlier: 6.885A pdb=" N ARG A 358 " --> pdb=" O PHE A 334 " (cutoff:3.500A) removed outlier: 4.415A pdb=" N VAL A 336 " --> pdb=" O ASN A 356 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ASN A 356 " --> pdb=" O VAL A 336 " (cutoff:3.500A) removed outlier: 6.504A pdb=" N ILE A 357 " --> pdb=" O GLU G 373 " (cutoff:3.500A) Processing sheet with id= G, first strand: chain 'A' and resid 352 through 353 removed outlier: 3.751A pdb=" N VAL A 353 " --> pdb=" O ASN G 367 " (cutoff:3.500A) No H-bonds generated for sheet with id= G Processing sheet with id= H, first strand: chain 'A' and resid 367 through 368 removed outlier: 7.131A pdb=" N ASN A 367 " --> pdb=" O VAL 0 353 " (cutoff:3.500A) No H-bonds generated for sheet with id= H Processing sheet with id= I, first strand: chain 'A' and resid 373 through 374 removed outlier: 3.696A pdb=" N PHE 0 359 " --> pdb=" O GLU A 373 " (cutoff:3.500A) removed outlier: 6.750A pdb=" N ASN 0 356 " --> pdb=" O VAL 0 336 " (cutoff:3.500A) removed outlier: 4.413A pdb=" N VAL 0 336 " --> pdb=" O ASN 0 356 " (cutoff:3.500A) removed outlier: 6.884A pdb=" N ARG 0 358 " --> pdb=" O PHE 0 334 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N PHE 0 334 " --> pdb=" O ARG 0 358 " (cutoff:3.500A) removed outlier: 7.174A pdb=" N THR 0 360 " --> pdb=" O ILE 0 332 " (cutoff:3.500A) Processing sheet with id= J, first strand: chain 'B' and resid 28 through 29 removed outlier: 6.024A pdb=" N GLY B 28 " --> pdb=" O VAL B 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= J Processing sheet with id= K, first strand: chain 'B' and resid 32 through 33 Processing sheet with id= L, first strand: chain 'B' and resid 47 through 48 Processing sheet with id= M, first strand: chain 'B' and resid 186 through 189 removed outlier: 3.784A pdb=" N ALA B 194 " --> pdb=" O ASP B 189 " (cutoff:3.500A) Processing sheet with id= N, first strand: chain 'B' and resid 257 through 259 removed outlier: 3.867A pdb=" N ARG B 265 " --> pdb=" O ILE B 259 " (cutoff:3.500A) Processing sheet with id= O, first strand: chain 'B' and resid 331 through 337 removed outlier: 7.174A pdb=" N THR B 360 " --> pdb=" O ILE B 332 " (cutoff:3.500A) removed outlier: 4.670A pdb=" N PHE B 334 " --> pdb=" O ARG B 358 " (cutoff:3.500A) removed outlier: 6.889A pdb=" N ARG B 358 " --> pdb=" O PHE B 334 " (cutoff:3.500A) removed outlier: 4.412A pdb=" N VAL B 336 " --> pdb=" O ASN B 356 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ASN B 356 " --> pdb=" O VAL B 336 " (cutoff:3.500A) removed outlier: 6.490A pdb=" N ILE B 357 " --> pdb=" O GLU H 373 " (cutoff:3.500A) Processing sheet with id= P, first strand: chain 'B' and resid 352 through 353 removed outlier: 3.785A pdb=" N VAL B 353 " --> pdb=" O ASN H 367 " (cutoff:3.500A) No H-bonds generated for sheet with id= P Processing sheet with id= Q, first strand: chain 'B' and resid 367 through 368 removed outlier: 7.145A pdb=" N ASN B 367 " --> pdb=" O VAL 1 353 " (cutoff:3.500A) No H-bonds generated for sheet with id= Q Processing sheet with id= R, first strand: chain 'B' and resid 373 through 374 removed outlier: 3.711A pdb=" N PHE 1 359 " --> pdb=" O GLU B 373 " (cutoff:3.500A) removed outlier: 6.756A pdb=" N ASN 1 356 " --> pdb=" O VAL 1 336 " (cutoff:3.500A) removed outlier: 4.414A pdb=" N VAL 1 336 " --> pdb=" O ASN 1 356 " (cutoff:3.500A) removed outlier: 6.888A pdb=" N ARG 1 358 " --> pdb=" O PHE 1 334 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N PHE 1 334 " --> pdb=" O ARG 1 358 " (cutoff:3.500A) removed outlier: 7.174A pdb=" N THR 1 360 " --> pdb=" O ILE 1 332 " (cutoff:3.500A) Processing sheet with id= S, first strand: chain 'F' and resid 28 through 29 removed outlier: 6.024A pdb=" N GLY F 28 " --> pdb=" O VAL F 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= S Processing sheet with id= T, first strand: chain 'F' and resid 32 through 33 Processing sheet with id= U, first strand: chain 'F' and resid 47 through 48 Processing sheet with id= V, first strand: chain 'F' and resid 186 through 189 removed outlier: 3.781A pdb=" N ALA F 194 " --> pdb=" O ASP F 189 " (cutoff:3.500A) Processing sheet with id= W, first strand: chain 'F' and resid 257 through 259 removed outlier: 3.868A pdb=" N ARG F 265 " --> pdb=" O ILE F 259 " (cutoff:3.500A) Processing sheet with id= X, first strand: chain 'F' and resid 331 through 337 removed outlier: 7.175A pdb=" N THR F 360 " --> pdb=" O ILE F 332 " (cutoff:3.500A) removed outlier: 4.672A pdb=" N PHE F 334 " --> pdb=" O ARG F 358 " (cutoff:3.500A) removed outlier: 6.889A pdb=" N ARG F 358 " --> pdb=" O PHE F 334 " (cutoff:3.500A) removed outlier: 4.414A pdb=" N VAL F 336 " --> pdb=" O ASN F 356 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ASN F 356 " --> pdb=" O VAL F 336 " (cutoff:3.500A) removed outlier: 6.472A pdb=" N ILE F 357 " --> pdb=" O GLU L 373 " (cutoff:3.500A) Processing sheet with id= Y, first strand: chain 'F' and resid 352 through 353 removed outlier: 3.783A pdb=" N VAL F 353 " --> pdb=" O ASN L 367 " (cutoff:3.500A) No H-bonds generated for sheet with id= Y Processing sheet with id= Z, first strand: chain 'F' and resid 367 through 368 removed outlier: 7.152A pdb=" N ASN F 367 " --> pdb=" O VAL 5 353 " (cutoff:3.500A) No H-bonds generated for sheet with id= Z Processing sheet with id= AA, first strand: chain 'F' and resid 373 through 374 removed outlier: 6.755A pdb=" N GLU F 373 " --> pdb=" O PHE 5 359 " (cutoff:3.500A) removed outlier: 7.706A pdb=" N ASP 5 361 " --> pdb=" O GLU F 373 " (cutoff:3.500A) removed outlier: 6.753A pdb=" N ASN 5 356 " --> pdb=" O VAL 5 336 " (cutoff:3.500A) removed outlier: 4.416A pdb=" N VAL 5 336 " --> pdb=" O ASN 5 356 " (cutoff:3.500A) removed outlier: 6.891A pdb=" N ARG 5 358 " --> pdb=" O PHE 5 334 " (cutoff:3.500A) removed outlier: 4.666A pdb=" N PHE 5 334 " --> pdb=" O ARG 5 358 " (cutoff:3.500A) removed outlier: 7.174A pdb=" N THR 5 360 " --> pdb=" O ILE 5 332 " (cutoff:3.500A) Processing sheet with id= AB, first strand: chain 'E' and resid 28 through 29 removed outlier: 6.029A pdb=" N GLY E 28 " --> pdb=" O VAL E 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= AB Processing sheet with id= AC, first strand: chain 'E' and resid 32 through 33 Processing sheet with id= AD, first strand: chain 'E' and resid 47 through 48 Processing sheet with id= AE, first strand: chain 'E' and resid 186 through 189 removed outlier: 3.774A pdb=" N ALA E 194 " --> pdb=" O ASP E 189 " (cutoff:3.500A) Processing sheet with id= AF, first strand: chain 'E' and resid 257 through 259 removed outlier: 3.869A pdb=" N ARG E 265 " --> pdb=" O ILE E 259 " (cutoff:3.500A) Processing sheet with id= AG, first strand: chain 'E' and resid 331 through 337 removed outlier: 7.176A pdb=" N THR E 360 " --> pdb=" O ILE E 332 " (cutoff:3.500A) removed outlier: 4.671A pdb=" N PHE E 334 " --> pdb=" O ARG E 358 " (cutoff:3.500A) removed outlier: 6.885A pdb=" N ARG E 358 " --> pdb=" O PHE E 334 " (cutoff:3.500A) removed outlier: 4.414A pdb=" N VAL E 336 " --> pdb=" O ASN E 356 " (cutoff:3.500A) removed outlier: 6.756A pdb=" N ASN E 356 " --> pdb=" O VAL E 336 " (cutoff:3.500A) removed outlier: 6.508A pdb=" N ILE E 357 " --> pdb=" O GLU K 373 " (cutoff:3.500A) Processing sheet with id= AH, first strand: chain 'E' and resid 352 through 353 removed outlier: 3.745A pdb=" N VAL E 353 " --> pdb=" O ASN K 367 " (cutoff:3.500A) No H-bonds generated for sheet with id= AH Processing sheet with id= AI, first strand: chain 'E' and resid 367 through 368 removed outlier: 7.139A pdb=" N ASN E 367 " --> pdb=" O VAL 4 353 " (cutoff:3.500A) No H-bonds generated for sheet with id= AI Processing sheet with id= AJ, first strand: chain 'E' and resid 373 through 374 removed outlier: 3.692A pdb=" N PHE 4 359 " --> pdb=" O GLU E 373 " (cutoff:3.500A) removed outlier: 6.750A pdb=" N ASN 4 356 " --> pdb=" O VAL 4 336 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N VAL 4 336 " --> pdb=" O ASN 4 356 " (cutoff:3.500A) removed outlier: 6.887A pdb=" N ARG 4 358 " --> pdb=" O PHE 4 334 " (cutoff:3.500A) removed outlier: 4.665A pdb=" N PHE 4 334 " --> pdb=" O ARG 4 358 " (cutoff:3.500A) removed outlier: 7.175A pdb=" N THR 4 360 " --> pdb=" O ILE 4 332 " (cutoff:3.500A) Processing sheet with id= AK, first strand: chain 'D' and resid 28 through 29 removed outlier: 6.027A pdb=" N GLY D 28 " --> pdb=" O VAL D 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= AK Processing sheet with id= AL, first strand: chain 'D' and resid 32 through 33 Processing sheet with id= AM, first strand: chain 'D' and resid 47 through 48 Processing sheet with id= AN, first strand: chain 'D' and resid 186 through 189 removed outlier: 3.778A pdb=" N ALA D 194 " --> pdb=" O ASP D 189 " (cutoff:3.500A) Processing sheet with id= AO, first strand: chain 'D' and resid 257 through 259 removed outlier: 3.867A pdb=" N ARG D 265 " --> pdb=" O ILE D 259 " (cutoff:3.500A) Processing sheet with id= AP, first strand: chain 'D' and resid 331 through 337 removed outlier: 7.178A pdb=" N THR D 360 " --> pdb=" O ILE D 332 " (cutoff:3.500A) removed outlier: 4.666A pdb=" N PHE D 334 " --> pdb=" O ARG D 358 " (cutoff:3.500A) removed outlier: 6.885A pdb=" N ARG D 358 " --> pdb=" O PHE D 334 " (cutoff:3.500A) removed outlier: 4.414A pdb=" N VAL D 336 " --> pdb=" O ASN D 356 " (cutoff:3.500A) removed outlier: 6.750A pdb=" N ASN D 356 " --> pdb=" O VAL D 336 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N ILE D 357 " --> pdb=" O GLU J 373 " (cutoff:3.500A) Processing sheet with id= AQ, first strand: chain 'D' and resid 352 through 353 removed outlier: 3.761A pdb=" N VAL D 353 " --> pdb=" O ASN J 367 " (cutoff:3.500A) No H-bonds generated for sheet with id= AQ Processing sheet with id= AR, first strand: chain 'D' and resid 367 through 368 removed outlier: 7.163A pdb=" N ASN D 367 " --> pdb=" O VAL 3 353 " (cutoff:3.500A) No H-bonds generated for sheet with id= AR Processing sheet with id= AS, first strand: chain 'D' and resid 373 through 374 removed outlier: 3.734A pdb=" N PHE 3 359 " --> pdb=" O GLU D 373 " (cutoff:3.500A) removed outlier: 6.752A pdb=" N ASN 3 356 " --> pdb=" O VAL 3 336 " (cutoff:3.500A) removed outlier: 4.413A pdb=" N VAL 3 336 " --> pdb=" O ASN 3 356 " (cutoff:3.500A) removed outlier: 6.885A pdb=" N ARG 3 358 " --> pdb=" O PHE 3 334 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N PHE 3 334 " --> pdb=" O ARG 3 358 " (cutoff:3.500A) removed outlier: 7.175A pdb=" N THR 3 360 " --> pdb=" O ILE 3 332 " (cutoff:3.500A) Processing sheet with id= AT, first strand: chain 'C' and resid 28 through 29 removed outlier: 6.028A pdb=" N GLY C 28 " --> pdb=" O VAL C 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= AT Processing sheet with id= AU, first strand: chain 'C' and resid 32 through 33 Processing sheet with id= AV, first strand: chain 'C' and resid 47 through 48 Processing sheet with id= AW, first strand: chain 'C' and resid 186 through 189 removed outlier: 3.781A pdb=" N ALA C 194 " --> pdb=" O ASP C 189 " (cutoff:3.500A) Processing sheet with id= AX, first strand: chain 'C' and resid 257 through 259 removed outlier: 3.868A pdb=" N ARG C 265 " --> pdb=" O ILE C 259 " (cutoff:3.500A) Processing sheet with id= AY, first strand: chain 'C' and resid 331 through 337 removed outlier: 7.174A pdb=" N THR C 360 " --> pdb=" O ILE C 332 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N PHE C 334 " --> pdb=" O ARG C 358 " (cutoff:3.500A) removed outlier: 6.886A pdb=" N ARG C 358 " --> pdb=" O PHE C 334 " (cutoff:3.500A) removed outlier: 4.411A pdb=" N VAL C 336 " --> pdb=" O ASN C 356 " (cutoff:3.500A) removed outlier: 6.755A pdb=" N ASN C 356 " --> pdb=" O VAL C 336 " (cutoff:3.500A) removed outlier: 6.480A pdb=" N ILE C 357 " --> pdb=" O GLU I 373 " (cutoff:3.500A) Processing sheet with id= AZ, first strand: chain 'C' and resid 352 through 353 removed outlier: 3.735A pdb=" N VAL C 353 " --> pdb=" O ASN I 367 " (cutoff:3.500A) No H-bonds generated for sheet with id= AZ Processing sheet with id= BA, first strand: chain 'C' and resid 367 through 368 removed outlier: 7.142A pdb=" N ASN C 367 " --> pdb=" O VAL 2 353 " (cutoff:3.500A) No H-bonds generated for sheet with id= BA Processing sheet with id= BB, first strand: chain 'C' and resid 373 through 374 removed outlier: 3.683A pdb=" N PHE 2 359 " --> pdb=" O GLU C 373 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ASN 2 356 " --> pdb=" O VAL 2 336 " (cutoff:3.500A) removed outlier: 4.412A pdb=" N VAL 2 336 " --> pdb=" O ASN 2 356 " (cutoff:3.500A) removed outlier: 6.891A pdb=" N ARG 2 358 " --> pdb=" O PHE 2 334 " (cutoff:3.500A) removed outlier: 4.666A pdb=" N PHE 2 334 " --> pdb=" O ARG 2 358 " (cutoff:3.500A) removed outlier: 7.174A pdb=" N THR 2 360 " --> pdb=" O ILE 2 332 " (cutoff:3.500A) Processing sheet with id= BC, first strand: chain '0' and resid 28 through 29 removed outlier: 6.026A pdb=" N GLY 0 28 " --> pdb=" O VAL 0 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= BC Processing sheet with id= BD, first strand: chain '0' and resid 32 through 33 Processing sheet with id= BE, first strand: chain '0' and resid 47 through 48 Processing sheet with id= BF, first strand: chain '0' and resid 186 through 189 removed outlier: 3.774A pdb=" N ALA 0 194 " --> pdb=" O ASP 0 189 " (cutoff:3.500A) Processing sheet with id= BG, first strand: chain '0' and resid 257 through 259 removed outlier: 3.866A pdb=" N ARG 0 265 " --> pdb=" O ILE 0 259 " (cutoff:3.500A) Processing sheet with id= BH, first strand: chain '1' and resid 28 through 29 removed outlier: 6.024A pdb=" N GLY 1 28 " --> pdb=" O VAL 1 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= BH Processing sheet with id= BI, first strand: chain '1' and resid 32 through 33 Processing sheet with id= BJ, first strand: chain '1' and resid 47 through 48 Processing sheet with id= BK, first strand: chain '1' and resid 186 through 189 removed outlier: 3.781A pdb=" N ALA 1 194 " --> pdb=" O ASP 1 189 " (cutoff:3.500A) Processing sheet with id= BL, first strand: chain '1' and resid 257 through 259 removed outlier: 3.871A pdb=" N ARG 1 265 " --> pdb=" O ILE 1 259 " (cutoff:3.500A) Processing sheet with id= BM, first strand: chain '5' and resid 28 through 29 removed outlier: 6.024A pdb=" N GLY 5 28 " --> pdb=" O VAL 5 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= BM Processing sheet with id= BN, first strand: chain '5' and resid 32 through 33 Processing sheet with id= BO, first strand: chain '5' and resid 47 through 48 Processing sheet with id= BP, first strand: chain '5' and resid 186 through 189 removed outlier: 3.782A pdb=" N ALA 5 194 " --> pdb=" O ASP 5 189 " (cutoff:3.500A) Processing sheet with id= BQ, first strand: chain '5' and resid 257 through 259 removed outlier: 3.867A pdb=" N ARG 5 265 " --> pdb=" O ILE 5 259 " (cutoff:3.500A) Processing sheet with id= BR, first strand: chain '4' and resid 28 through 29 removed outlier: 6.030A pdb=" N GLY 4 28 " --> pdb=" O VAL 4 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= BR Processing sheet with id= BS, first strand: chain '4' and resid 32 through 33 Processing sheet with id= BT, first strand: chain '4' and resid 47 through 48 Processing sheet with id= BU, first strand: chain '4' and resid 186 through 189 removed outlier: 3.778A pdb=" N ALA 4 194 " --> pdb=" O ASP 4 189 " (cutoff:3.500A) Processing sheet with id= BV, first strand: chain '4' and resid 257 through 259 removed outlier: 3.873A pdb=" N ARG 4 265 " --> pdb=" O ILE 4 259 " (cutoff:3.500A) Processing sheet with id= BW, first strand: chain '3' and resid 28 through 29 removed outlier: 6.025A pdb=" N GLY 3 28 " --> pdb=" O VAL 3 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= BW Processing sheet with id= BX, first strand: chain '3' and resid 32 through 33 Processing sheet with id= BY, first strand: chain '3' and resid 47 through 48 Processing sheet with id= BZ, first strand: chain '3' and resid 186 through 189 removed outlier: 3.780A pdb=" N ALA 3 194 " --> pdb=" O ASP 3 189 " (cutoff:3.500A) Processing sheet with id= CA, first strand: chain '3' and resid 257 through 259 removed outlier: 3.867A pdb=" N ARG 3 265 " --> pdb=" O ILE 3 259 " (cutoff:3.500A) Processing sheet with id= CB, first strand: chain '2' and resid 28 through 29 removed outlier: 6.024A pdb=" N GLY 2 28 " --> pdb=" O VAL 2 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= CB Processing sheet with id= CC, first strand: chain '2' and resid 32 through 33 Processing sheet with id= CD, first strand: chain '2' and resid 47 through 48 Processing sheet with id= CE, first strand: chain '2' and resid 186 through 189 removed outlier: 3.778A pdb=" N ALA 2 194 " --> pdb=" O ASP 2 189 " (cutoff:3.500A) Processing sheet with id= CF, first strand: chain '2' and resid 257 through 259 removed outlier: 3.866A pdb=" N ARG 2 265 " --> pdb=" O ILE 2 259 " (cutoff:3.500A) Processing sheet with id= CG, first strand: chain 'G' and resid 28 through 29 removed outlier: 6.024A pdb=" N GLY G 28 " --> pdb=" O VAL G 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= CG Processing sheet with id= CH, first strand: chain 'G' and resid 32 through 33 Processing sheet with id= CI, first strand: chain 'G' and resid 47 through 48 Processing sheet with id= CJ, first strand: chain 'G' and resid 186 through 189 removed outlier: 3.779A pdb=" N ALA G 194 " --> pdb=" O ASP G 189 " (cutoff:3.500A) Processing sheet with id= CK, first strand: chain 'G' and resid 257 through 259 removed outlier: 3.867A pdb=" N ARG G 265 " --> pdb=" O ILE G 259 " (cutoff:3.500A) Processing sheet with id= CL, first strand: chain 'G' and resid 331 through 337 removed outlier: 7.175A pdb=" N THR G 360 " --> pdb=" O ILE G 332 " (cutoff:3.500A) removed outlier: 4.670A pdb=" N PHE G 334 " --> pdb=" O ARG G 358 " (cutoff:3.500A) removed outlier: 6.883A pdb=" N ARG G 358 " --> pdb=" O PHE G 334 " (cutoff:3.500A) removed outlier: 4.413A pdb=" N VAL G 336 " --> pdb=" O ASN G 356 " (cutoff:3.500A) removed outlier: 6.748A pdb=" N ASN G 356 " --> pdb=" O VAL G 336 " (cutoff:3.500A) removed outlier: 6.499A pdb=" N ILE G 357 " --> pdb=" O GLU M 373 " (cutoff:3.500A) Processing sheet with id= CM, first strand: chain 'G' and resid 352 through 353 removed outlier: 3.752A pdb=" N VAL G 353 " --> pdb=" O ASN M 367 " (cutoff:3.500A) No H-bonds generated for sheet with id= CM Processing sheet with id= CN, first strand: chain 'H' and resid 28 through 29 removed outlier: 6.027A pdb=" N GLY H 28 " --> pdb=" O VAL H 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= CN Processing sheet with id= CO, first strand: chain 'H' and resid 32 through 33 Processing sheet with id= CP, first strand: chain 'H' and resid 47 through 48 Processing sheet with id= CQ, first strand: chain 'H' and resid 186 through 189 removed outlier: 3.782A pdb=" N ALA H 194 " --> pdb=" O ASP H 189 " (cutoff:3.500A) Processing sheet with id= CR, first strand: chain 'H' and resid 257 through 259 removed outlier: 3.864A pdb=" N ARG H 265 " --> pdb=" O ILE H 259 " (cutoff:3.500A) Processing sheet with id= CS, first strand: chain 'H' and resid 331 through 337 removed outlier: 7.174A pdb=" N THR H 360 " --> pdb=" O ILE H 332 " (cutoff:3.500A) removed outlier: 4.667A pdb=" N PHE H 334 " --> pdb=" O ARG H 358 " (cutoff:3.500A) removed outlier: 6.888A pdb=" N ARG H 358 " --> pdb=" O PHE H 334 " (cutoff:3.500A) removed outlier: 4.417A pdb=" N VAL H 336 " --> pdb=" O ASN H 356 " (cutoff:3.500A) removed outlier: 6.752A pdb=" N ASN H 356 " --> pdb=" O VAL H 336 " (cutoff:3.500A) removed outlier: 6.474A pdb=" N ILE H 357 " --> pdb=" O GLU N 373 " (cutoff:3.500A) Processing sheet with id= CT, first strand: chain 'H' and resid 352 through 353 removed outlier: 3.756A pdb=" N VAL H 353 " --> pdb=" O ASN N 367 " (cutoff:3.500A) No H-bonds generated for sheet with id= CT Processing sheet with id= CU, first strand: chain 'L' and resid 28 through 29 removed outlier: 6.024A pdb=" N GLY L 28 " --> pdb=" O VAL L 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= CU Processing sheet with id= CV, first strand: chain 'L' and resid 32 through 33 Processing sheet with id= CW, first strand: chain 'L' and resid 47 through 48 Processing sheet with id= CX, first strand: chain 'L' and resid 186 through 189 removed outlier: 3.778A pdb=" N ALA L 194 " --> pdb=" O ASP L 189 " (cutoff:3.500A) Processing sheet with id= CY, first strand: chain 'L' and resid 257 through 259 removed outlier: 3.871A pdb=" N ARG L 265 " --> pdb=" O ILE L 259 " (cutoff:3.500A) Processing sheet with id= CZ, first strand: chain 'L' and resid 331 through 337 removed outlier: 7.177A pdb=" N THR L 360 " --> pdb=" O ILE L 332 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N PHE L 334 " --> pdb=" O ARG L 358 " (cutoff:3.500A) removed outlier: 6.889A pdb=" N ARG L 358 " --> pdb=" O PHE L 334 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N VAL L 336 " --> pdb=" O ASN L 356 " (cutoff:3.500A) removed outlier: 6.748A pdb=" N ASN L 356 " --> pdb=" O VAL L 336 " (cutoff:3.500A) removed outlier: 6.479A pdb=" N ILE L 357 " --> pdb=" O GLU R 373 " (cutoff:3.500A) Processing sheet with id= DA, first strand: chain 'L' and resid 352 through 353 removed outlier: 3.713A pdb=" N VAL L 353 " --> pdb=" O ASN R 367 " (cutoff:3.500A) No H-bonds generated for sheet with id= DA Processing sheet with id= DB, first strand: chain 'K' and resid 28 through 29 removed outlier: 6.023A pdb=" N GLY K 28 " --> pdb=" O VAL K 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= DB Processing sheet with id= DC, first strand: chain 'K' and resid 32 through 33 Processing sheet with id= DD, first strand: chain 'K' and resid 47 through 48 Processing sheet with id= DE, first strand: chain 'K' and resid 186 through 189 removed outlier: 3.779A pdb=" N ALA K 194 " --> pdb=" O ASP K 189 " (cutoff:3.500A) Processing sheet with id= DF, first strand: chain 'K' and resid 257 through 259 removed outlier: 3.865A pdb=" N ARG K 265 " --> pdb=" O ILE K 259 " (cutoff:3.500A) Processing sheet with id= DG, first strand: chain 'K' and resid 331 through 337 removed outlier: 7.174A pdb=" N THR K 360 " --> pdb=" O ILE K 332 " (cutoff:3.500A) removed outlier: 4.666A pdb=" N PHE K 334 " --> pdb=" O ARG K 358 " (cutoff:3.500A) removed outlier: 6.891A pdb=" N ARG K 358 " --> pdb=" O PHE K 334 " (cutoff:3.500A) removed outlier: 4.412A pdb=" N VAL K 336 " --> pdb=" O ASN K 356 " (cutoff:3.500A) removed outlier: 6.753A pdb=" N ASN K 356 " --> pdb=" O VAL K 336 " (cutoff:3.500A) removed outlier: 6.483A pdb=" N ILE K 357 " --> pdb=" O GLU Q 373 " (cutoff:3.500A) Processing sheet with id= DH, first strand: chain 'K' and resid 352 through 353 removed outlier: 3.764A pdb=" N VAL K 353 " --> pdb=" O ASN Q 367 " (cutoff:3.500A) No H-bonds generated for sheet with id= DH Processing sheet with id= DI, first strand: chain 'J' and resid 28 through 29 removed outlier: 6.027A pdb=" N GLY J 28 " --> pdb=" O VAL J 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= DI Processing sheet with id= DJ, first strand: chain 'J' and resid 32 through 33 Processing sheet with id= DK, first strand: chain 'J' and resid 47 through 48 Processing sheet with id= DL, first strand: chain 'J' and resid 186 through 189 removed outlier: 3.779A pdb=" N ALA J 194 " --> pdb=" O ASP J 189 " (cutoff:3.500A) Processing sheet with id= DM, first strand: chain 'J' and resid 257 through 259 removed outlier: 3.865A pdb=" N ARG J 265 " --> pdb=" O ILE J 259 " (cutoff:3.500A) Processing sheet with id= DN, first strand: chain 'J' and resid 331 through 337 removed outlier: 7.175A pdb=" N THR J 360 " --> pdb=" O ILE J 332 " (cutoff:3.500A) removed outlier: 4.671A pdb=" N PHE J 334 " --> pdb=" O ARG J 358 " (cutoff:3.500A) removed outlier: 6.885A pdb=" N ARG J 358 " --> pdb=" O PHE J 334 " (cutoff:3.500A) removed outlier: 4.417A pdb=" N VAL J 336 " --> pdb=" O ASN J 356 " (cutoff:3.500A) removed outlier: 6.753A pdb=" N ASN J 356 " --> pdb=" O VAL J 336 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N PHE J 359 " --> pdb=" O GLU P 373 " (cutoff:3.500A) Processing sheet with id= DO, first strand: chain 'J' and resid 352 through 353 removed outlier: 3.746A pdb=" N VAL J 353 " --> pdb=" O ASN P 367 " (cutoff:3.500A) No H-bonds generated for sheet with id= DO Processing sheet with id= DP, first strand: chain 'I' and resid 28 through 29 removed outlier: 6.026A pdb=" N GLY I 28 " --> pdb=" O VAL I 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= DP Processing sheet with id= DQ, first strand: chain 'I' and resid 32 through 33 Processing sheet with id= DR, first strand: chain 'I' and resid 47 through 48 Processing sheet with id= DS, first strand: chain 'I' and resid 186 through 189 removed outlier: 3.780A pdb=" N ALA I 194 " --> pdb=" O ASP I 189 " (cutoff:3.500A) Processing sheet with id= DT, first strand: chain 'I' and resid 257 through 259 removed outlier: 3.867A pdb=" N ARG I 265 " --> pdb=" O ILE I 259 " (cutoff:3.500A) Processing sheet with id= DU, first strand: chain 'I' and resid 331 through 337 removed outlier: 7.175A pdb=" N THR I 360 " --> pdb=" O ILE I 332 " (cutoff:3.500A) removed outlier: 4.670A pdb=" N PHE I 334 " --> pdb=" O ARG I 358 " (cutoff:3.500A) removed outlier: 6.888A pdb=" N ARG I 358 " --> pdb=" O PHE I 334 " (cutoff:3.500A) removed outlier: 4.414A pdb=" N VAL I 336 " --> pdb=" O ASN I 356 " (cutoff:3.500A) removed outlier: 6.751A pdb=" N ASN I 356 " --> pdb=" O VAL I 336 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N PHE I 359 " --> pdb=" O GLU O 373 " (cutoff:3.500A) Processing sheet with id= DV, first strand: chain 'I' and resid 352 through 353 removed outlier: 3.750A pdb=" N VAL I 353 " --> pdb=" O ASN O 367 " (cutoff:3.500A) No H-bonds generated for sheet with id= DV Processing sheet with id= DW, first strand: chain 'M' and resid 28 through 29 removed outlier: 6.026A pdb=" N GLY M 28 " --> pdb=" O VAL M 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= DW Processing sheet with id= DX, first strand: chain 'M' and resid 32 through 33 Processing sheet with id= DY, first strand: chain 'M' and resid 47 through 48 Processing sheet with id= DZ, first strand: chain 'M' and resid 186 through 189 removed outlier: 3.780A pdb=" N ALA M 194 " --> pdb=" O ASP M 189 " (cutoff:3.500A) Processing sheet with id= EA, first strand: chain 'M' and resid 257 through 259 removed outlier: 3.864A pdb=" N ARG M 265 " --> pdb=" O ILE M 259 " (cutoff:3.500A) Processing sheet with id= EB, first strand: chain 'M' and resid 331 through 337 removed outlier: 7.176A pdb=" N THR M 360 " --> pdb=" O ILE M 332 " (cutoff:3.500A) removed outlier: 4.666A pdb=" N PHE M 334 " --> pdb=" O ARG M 358 " (cutoff:3.500A) removed outlier: 6.886A pdb=" N ARG M 358 " --> pdb=" O PHE M 334 " (cutoff:3.500A) removed outlier: 4.413A pdb=" N VAL M 336 " --> pdb=" O ASN M 356 " (cutoff:3.500A) removed outlier: 6.751A pdb=" N ASN M 356 " --> pdb=" O VAL M 336 " (cutoff:3.500A) removed outlier: 6.481A pdb=" N ILE M 357 " --> pdb=" O GLU a 373 " (cutoff:3.500A) Processing sheet with id= EC, first strand: chain 'M' and resid 352 through 353 removed outlier: 3.758A pdb=" N VAL M 353 " --> pdb=" O ASN a 367 " (cutoff:3.500A) No H-bonds generated for sheet with id= EC Processing sheet with id= ED, first strand: chain 'N' and resid 28 through 29 removed outlier: 6.024A pdb=" N GLY N 28 " --> pdb=" O VAL N 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= ED Processing sheet with id= EE, first strand: chain 'N' and resid 32 through 33 Processing sheet with id= EF, first strand: chain 'N' and resid 47 through 48 Processing sheet with id= EG, first strand: chain 'N' and resid 186 through 189 removed outlier: 3.782A pdb=" N ALA N 194 " --> pdb=" O ASP N 189 " (cutoff:3.500A) Processing sheet with id= EH, first strand: chain 'N' and resid 257 through 259 removed outlier: 3.872A pdb=" N ARG N 265 " --> pdb=" O ILE N 259 " (cutoff:3.500A) Processing sheet with id= EI, first strand: chain 'N' and resid 331 through 337 removed outlier: 7.176A pdb=" N THR N 360 " --> pdb=" O ILE N 332 " (cutoff:3.500A) removed outlier: 4.667A pdb=" N PHE N 334 " --> pdb=" O ARG N 358 " (cutoff:3.500A) removed outlier: 6.888A pdb=" N ARG N 358 " --> pdb=" O PHE N 334 " (cutoff:3.500A) removed outlier: 4.414A pdb=" N VAL N 336 " --> pdb=" O ASN N 356 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ASN N 356 " --> pdb=" O VAL N 336 " (cutoff:3.500A) removed outlier: 6.502A pdb=" N ILE N 357 " --> pdb=" O GLU b 373 " (cutoff:3.500A) Processing sheet with id= EJ, first strand: chain 'N' and resid 352 through 353 removed outlier: 3.739A pdb=" N VAL N 353 " --> pdb=" O ASN b 367 " (cutoff:3.500A) No H-bonds generated for sheet with id= EJ Processing sheet with id= EK, first strand: chain 'R' and resid 28 through 29 removed outlier: 6.026A pdb=" N GLY R 28 " --> pdb=" O VAL R 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= EK Processing sheet with id= EL, first strand: chain 'R' and resid 32 through 33 Processing sheet with id= EM, first strand: chain 'R' and resid 47 through 48 Processing sheet with id= EN, first strand: chain 'R' and resid 186 through 189 removed outlier: 3.780A pdb=" N ALA R 194 " --> pdb=" O ASP R 189 " (cutoff:3.500A) Processing sheet with id= EO, first strand: chain 'R' and resid 257 through 259 removed outlier: 3.867A pdb=" N ARG R 265 " --> pdb=" O ILE R 259 " (cutoff:3.500A) Processing sheet with id= EP, first strand: chain 'R' and resid 331 through 337 removed outlier: 7.175A pdb=" N THR R 360 " --> pdb=" O ILE R 332 " (cutoff:3.500A) removed outlier: 4.666A pdb=" N PHE R 334 " --> pdb=" O ARG R 358 " (cutoff:3.500A) removed outlier: 6.891A pdb=" N ARG R 358 " --> pdb=" O PHE R 334 " (cutoff:3.500A) removed outlier: 4.415A pdb=" N VAL R 336 " --> pdb=" O ASN R 356 " (cutoff:3.500A) removed outlier: 6.752A pdb=" N ASN R 356 " --> pdb=" O VAL R 336 " (cutoff:3.500A) removed outlier: 6.500A pdb=" N ILE R 357 " --> pdb=" O GLU f 373 " (cutoff:3.500A) Processing sheet with id= EQ, first strand: chain 'R' and resid 352 through 353 removed outlier: 3.741A pdb=" N VAL R 353 " --> pdb=" O ASN f 367 " (cutoff:3.500A) No H-bonds generated for sheet with id= EQ Processing sheet with id= ER, first strand: chain 'Q' and resid 28 through 29 removed outlier: 6.026A pdb=" N GLY Q 28 " --> pdb=" O VAL Q 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= ER Processing sheet with id= ES, first strand: chain 'Q' and resid 32 through 33 Processing sheet with id= ET, first strand: chain 'Q' and resid 47 through 48 Processing sheet with id= EU, first strand: chain 'Q' and resid 186 through 189 removed outlier: 3.778A pdb=" N ALA Q 194 " --> pdb=" O ASP Q 189 " (cutoff:3.500A) Processing sheet with id= EV, first strand: chain 'Q' and resid 257 through 259 removed outlier: 3.874A pdb=" N ARG Q 265 " --> pdb=" O ILE Q 259 " (cutoff:3.500A) Processing sheet with id= EW, first strand: chain 'Q' and resid 331 through 337 removed outlier: 7.177A pdb=" N THR Q 360 " --> pdb=" O ILE Q 332 " (cutoff:3.500A) removed outlier: 4.670A pdb=" N PHE Q 334 " --> pdb=" O ARG Q 358 " (cutoff:3.500A) removed outlier: 6.889A pdb=" N ARG Q 358 " --> pdb=" O PHE Q 334 " (cutoff:3.500A) removed outlier: 4.412A pdb=" N VAL Q 336 " --> pdb=" O ASN Q 356 " (cutoff:3.500A) removed outlier: 6.753A pdb=" N ASN Q 356 " --> pdb=" O VAL Q 336 " (cutoff:3.500A) removed outlier: 6.496A pdb=" N ILE Q 357 " --> pdb=" O GLU e 373 " (cutoff:3.500A) Processing sheet with id= EX, first strand: chain 'Q' and resid 352 through 353 removed outlier: 3.756A pdb=" N VAL Q 353 " --> pdb=" O ASN e 367 " (cutoff:3.500A) No H-bonds generated for sheet with id= EX Processing sheet with id= EY, first strand: chain 'P' and resid 28 through 29 removed outlier: 6.025A pdb=" N GLY P 28 " --> pdb=" O VAL P 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= EY Processing sheet with id= EZ, first strand: chain 'P' and resid 32 through 33 Processing sheet with id= FA, first strand: chain 'P' and resid 47 through 48 Processing sheet with id= FB, first strand: chain 'P' and resid 186 through 189 removed outlier: 3.782A pdb=" N ALA P 194 " --> pdb=" O ASP P 189 " (cutoff:3.500A) Processing sheet with id= FC, first strand: chain 'P' and resid 257 through 259 removed outlier: 3.869A pdb=" N ARG P 265 " --> pdb=" O ILE P 259 " (cutoff:3.500A) Processing sheet with id= FD, first strand: chain 'P' and resid 331 through 337 removed outlier: 7.174A pdb=" N THR P 360 " --> pdb=" O ILE P 332 " (cutoff:3.500A) removed outlier: 4.667A pdb=" N PHE P 334 " --> pdb=" O ARG P 358 " (cutoff:3.500A) removed outlier: 6.890A pdb=" N ARG P 358 " --> pdb=" O PHE P 334 " (cutoff:3.500A) removed outlier: 4.412A pdb=" N VAL P 336 " --> pdb=" O ASN P 356 " (cutoff:3.500A) removed outlier: 6.750A pdb=" N ASN P 356 " --> pdb=" O VAL P 336 " (cutoff:3.500A) removed outlier: 6.480A pdb=" N ILE P 357 " --> pdb=" O GLU d 373 " (cutoff:3.500A) Processing sheet with id= FE, first strand: chain 'P' and resid 352 through 353 removed outlier: 3.743A pdb=" N VAL P 353 " --> pdb=" O ASN d 367 " (cutoff:3.500A) No H-bonds generated for sheet with id= FE Processing sheet with id= FF, first strand: chain 'O' and resid 28 through 29 removed outlier: 6.023A pdb=" N GLY O 28 " --> pdb=" O VAL O 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= FF Processing sheet with id= FG, first strand: chain 'O' and resid 32 through 33 Processing sheet with id= FH, first strand: chain 'O' and resid 47 through 48 Processing sheet with id= FI, first strand: chain 'O' and resid 186 through 189 removed outlier: 3.781A pdb=" N ALA O 194 " --> pdb=" O ASP O 189 " (cutoff:3.500A) Processing sheet with id= FJ, first strand: chain 'O' and resid 257 through 259 removed outlier: 3.866A pdb=" N ARG O 265 " --> pdb=" O ILE O 259 " (cutoff:3.500A) Processing sheet with id= FK, first strand: chain 'O' and resid 331 through 337 removed outlier: 7.178A pdb=" N THR O 360 " --> pdb=" O ILE O 332 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N PHE O 334 " --> pdb=" O ARG O 358 " (cutoff:3.500A) removed outlier: 6.888A pdb=" N ARG O 358 " --> pdb=" O PHE O 334 " (cutoff:3.500A) removed outlier: 4.422A pdb=" N VAL O 336 " --> pdb=" O ASN O 356 " (cutoff:3.500A) removed outlier: 6.759A pdb=" N ASN O 356 " --> pdb=" O VAL O 336 " (cutoff:3.500A) removed outlier: 6.489A pdb=" N ILE O 357 " --> pdb=" O GLU c 373 " (cutoff:3.500A) Processing sheet with id= FL, first strand: chain 'O' and resid 352 through 353 removed outlier: 3.749A pdb=" N VAL O 353 " --> pdb=" O ASN c 367 " (cutoff:3.500A) No H-bonds generated for sheet with id= FL Processing sheet with id= FM, first strand: chain 'a' and resid 28 through 29 removed outlier: 6.023A pdb=" N GLY a 28 " --> pdb=" O VAL a 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= FM Processing sheet with id= FN, first strand: chain 'a' and resid 32 through 33 Processing sheet with id= FO, first strand: chain 'a' and resid 47 through 48 Processing sheet with id= FP, first strand: chain 'a' and resid 186 through 189 removed outlier: 3.781A pdb=" N ALA a 194 " --> pdb=" O ASP a 189 " (cutoff:3.500A) Processing sheet with id= FQ, first strand: chain 'a' and resid 257 through 259 removed outlier: 3.868A pdb=" N ARG a 265 " --> pdb=" O ILE a 259 " (cutoff:3.500A) Processing sheet with id= FR, first strand: chain 'a' and resid 331 through 337 removed outlier: 7.178A pdb=" N THR a 360 " --> pdb=" O ILE a 332 " (cutoff:3.500A) removed outlier: 4.672A pdb=" N PHE a 334 " --> pdb=" O ARG a 358 " (cutoff:3.500A) removed outlier: 6.890A pdb=" N ARG a 358 " --> pdb=" O PHE a 334 " (cutoff:3.500A) removed outlier: 4.419A pdb=" N VAL a 336 " --> pdb=" O ASN a 356 " (cutoff:3.500A) removed outlier: 6.758A pdb=" N ASN a 356 " --> pdb=" O VAL a 336 " (cutoff:3.500A) removed outlier: 6.489A pdb=" N ILE a 357 " --> pdb=" O GLU g 373 " (cutoff:3.500A) Processing sheet with id= FS, first strand: chain 'a' and resid 352 through 353 removed outlier: 3.725A pdb=" N VAL a 353 " --> pdb=" O ASN g 367 " (cutoff:3.500A) No H-bonds generated for sheet with id= FS Processing sheet with id= FT, first strand: chain 'b' and resid 28 through 29 removed outlier: 6.024A pdb=" N GLY b 28 " --> pdb=" O VAL b 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= FT Processing sheet with id= FU, first strand: chain 'b' and resid 32 through 33 Processing sheet with id= FV, first strand: chain 'b' and resid 47 through 48 Processing sheet with id= FW, first strand: chain 'b' and resid 186 through 189 removed outlier: 3.778A pdb=" N ALA b 194 " --> pdb=" O ASP b 189 " (cutoff:3.500A) Processing sheet with id= FX, first strand: chain 'b' and resid 257 through 259 removed outlier: 3.862A pdb=" N ARG b 265 " --> pdb=" O ILE b 259 " (cutoff:3.500A) Processing sheet with id= FY, first strand: chain 'b' and resid 331 through 337 removed outlier: 7.174A pdb=" N THR b 360 " --> pdb=" O ILE b 332 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N PHE b 334 " --> pdb=" O ARG b 358 " (cutoff:3.500A) removed outlier: 6.893A pdb=" N ARG b 358 " --> pdb=" O PHE b 334 " (cutoff:3.500A) removed outlier: 4.412A pdb=" N VAL b 336 " --> pdb=" O ASN b 356 " (cutoff:3.500A) removed outlier: 6.750A pdb=" N ASN b 356 " --> pdb=" O VAL b 336 " (cutoff:3.500A) removed outlier: 6.481A pdb=" N ILE b 357 " --> pdb=" O GLU h 373 " (cutoff:3.500A) Processing sheet with id= FZ, first strand: chain 'b' and resid 352 through 353 removed outlier: 3.744A pdb=" N VAL b 353 " --> pdb=" O ASN h 367 " (cutoff:3.500A) No H-bonds generated for sheet with id= FZ Processing sheet with id= GA, first strand: chain 'f' and resid 28 through 29 removed outlier: 6.024A pdb=" N GLY f 28 " --> pdb=" O VAL f 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= GA Processing sheet with id= GB, first strand: chain 'f' and resid 32 through 33 Processing sheet with id= GC, first strand: chain 'f' and resid 47 through 48 Processing sheet with id= GD, first strand: chain 'f' and resid 186 through 189 removed outlier: 3.780A pdb=" N ALA f 194 " --> pdb=" O ASP f 189 " (cutoff:3.500A) Processing sheet with id= GE, first strand: chain 'f' and resid 257 through 259 removed outlier: 3.866A pdb=" N ARG f 265 " --> pdb=" O ILE f 259 " (cutoff:3.500A) Processing sheet with id= GF, first strand: chain 'f' and resid 331 through 337 removed outlier: 7.174A pdb=" N THR f 360 " --> pdb=" O ILE f 332 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N PHE f 334 " --> pdb=" O ARG f 358 " (cutoff:3.500A) removed outlier: 6.884A pdb=" N ARG f 358 " --> pdb=" O PHE f 334 " (cutoff:3.500A) removed outlier: 4.414A pdb=" N VAL f 336 " --> pdb=" O ASN f 356 " (cutoff:3.500A) removed outlier: 6.753A pdb=" N ASN f 356 " --> pdb=" O VAL f 336 " (cutoff:3.500A) removed outlier: 6.483A pdb=" N ILE f 357 " --> pdb=" O GLU l 373 " (cutoff:3.500A) Processing sheet with id= GG, first strand: chain 'f' and resid 352 through 353 removed outlier: 3.758A pdb=" N VAL f 353 " --> pdb=" O ASN l 367 " (cutoff:3.500A) No H-bonds generated for sheet with id= GG Processing sheet with id= GH, first strand: chain 'e' and resid 28 through 29 removed outlier: 6.028A pdb=" N GLY e 28 " --> pdb=" O VAL e 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= GH Processing sheet with id= GI, first strand: chain 'e' and resid 32 through 33 Processing sheet with id= GJ, first strand: chain 'e' and resid 47 through 48 Processing sheet with id= GK, first strand: chain 'e' and resid 186 through 189 removed outlier: 3.780A pdb=" N ALA e 194 " --> pdb=" O ASP e 189 " (cutoff:3.500A) Processing sheet with id= GL, first strand: chain 'e' and resid 257 through 259 removed outlier: 3.862A pdb=" N ARG e 265 " --> pdb=" O ILE e 259 " (cutoff:3.500A) Processing sheet with id= GM, first strand: chain 'e' and resid 331 through 337 removed outlier: 7.173A pdb=" N THR e 360 " --> pdb=" O ILE e 332 " (cutoff:3.500A) removed outlier: 4.666A pdb=" N PHE e 334 " --> pdb=" O ARG e 358 " (cutoff:3.500A) removed outlier: 6.893A pdb=" N ARG e 358 " --> pdb=" O PHE e 334 " (cutoff:3.500A) removed outlier: 4.411A pdb=" N VAL e 336 " --> pdb=" O ASN e 356 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ASN e 356 " --> pdb=" O VAL e 336 " (cutoff:3.500A) removed outlier: 6.491A pdb=" N ILE e 357 " --> pdb=" O GLU k 373 " (cutoff:3.500A) Processing sheet with id= GN, first strand: chain 'e' and resid 352 through 353 removed outlier: 3.754A pdb=" N VAL e 353 " --> pdb=" O ASN k 367 " (cutoff:3.500A) No H-bonds generated for sheet with id= GN Processing sheet with id= GO, first strand: chain 'd' and resid 28 through 29 removed outlier: 6.025A pdb=" N GLY d 28 " --> pdb=" O VAL d 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= GO Processing sheet with id= GP, first strand: chain 'd' and resid 32 through 33 Processing sheet with id= GQ, first strand: chain 'd' and resid 47 through 48 Processing sheet with id= GR, first strand: chain 'd' and resid 186 through 189 removed outlier: 3.780A pdb=" N ALA d 194 " --> pdb=" O ASP d 189 " (cutoff:3.500A) Processing sheet with id= GS, first strand: chain 'd' and resid 257 through 259 removed outlier: 3.865A pdb=" N ARG d 265 " --> pdb=" O ILE d 259 " (cutoff:3.500A) Processing sheet with id= GT, first strand: chain 'd' and resid 331 through 337 removed outlier: 7.177A pdb=" N THR d 360 " --> pdb=" O ILE d 332 " (cutoff:3.500A) removed outlier: 4.672A pdb=" N PHE d 334 " --> pdb=" O ARG d 358 " (cutoff:3.500A) removed outlier: 6.888A pdb=" N ARG d 358 " --> pdb=" O PHE d 334 " (cutoff:3.500A) removed outlier: 4.417A pdb=" N VAL d 336 " --> pdb=" O ASN d 356 " (cutoff:3.500A) removed outlier: 6.756A pdb=" N ASN d 356 " --> pdb=" O VAL d 336 " (cutoff:3.500A) removed outlier: 6.510A pdb=" N ILE d 357 " --> pdb=" O GLU j 373 " (cutoff:3.500A) Processing sheet with id= GU, first strand: chain 'd' and resid 352 through 353 removed outlier: 3.763A pdb=" N VAL d 353 " --> pdb=" O ASN j 367 " (cutoff:3.500A) No H-bonds generated for sheet with id= GU Processing sheet with id= GV, first strand: chain 'c' and resid 28 through 29 removed outlier: 6.025A pdb=" N GLY c 28 " --> pdb=" O VAL c 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= GV Processing sheet with id= GW, first strand: chain 'c' and resid 32 through 33 Processing sheet with id= GX, first strand: chain 'c' and resid 47 through 48 Processing sheet with id= GY, first strand: chain 'c' and resid 186 through 189 removed outlier: 3.779A pdb=" N ALA c 194 " --> pdb=" O ASP c 189 " (cutoff:3.500A) Processing sheet with id= GZ, first strand: chain 'c' and resid 257 through 259 removed outlier: 3.866A pdb=" N ARG c 265 " --> pdb=" O ILE c 259 " (cutoff:3.500A) Processing sheet with id= HA, first strand: chain 'c' and resid 331 through 337 removed outlier: 7.172A pdb=" N THR c 360 " --> pdb=" O ILE c 332 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N PHE c 334 " --> pdb=" O ARG c 358 " (cutoff:3.500A) removed outlier: 6.887A pdb=" N ARG c 358 " --> pdb=" O PHE c 334 " (cutoff:3.500A) removed outlier: 4.419A pdb=" N VAL c 336 " --> pdb=" O ASN c 356 " (cutoff:3.500A) removed outlier: 6.759A pdb=" N ASN c 356 " --> pdb=" O VAL c 336 " (cutoff:3.500A) removed outlier: 6.483A pdb=" N ILE c 357 " --> pdb=" O GLU i 373 " (cutoff:3.500A) Processing sheet with id= HB, first strand: chain 'c' and resid 352 through 353 removed outlier: 3.761A pdb=" N VAL c 353 " --> pdb=" O ASN i 367 " (cutoff:3.500A) No H-bonds generated for sheet with id= HB Processing sheet with id= HC, first strand: chain 'g' and resid 28 through 29 removed outlier: 6.026A pdb=" N GLY g 28 " --> pdb=" O VAL g 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= HC Processing sheet with id= HD, first strand: chain 'g' and resid 32 through 33 Processing sheet with id= HE, first strand: chain 'g' and resid 47 through 48 Processing sheet with id= HF, first strand: chain 'g' and resid 186 through 189 removed outlier: 3.782A pdb=" N ALA g 194 " --> pdb=" O ASP g 189 " (cutoff:3.500A) Processing sheet with id= HG, first strand: chain 'g' and resid 257 through 259 removed outlier: 3.872A pdb=" N ARG g 265 " --> pdb=" O ILE g 259 " (cutoff:3.500A) Processing sheet with id= HH, first strand: chain 'g' and resid 331 through 337 removed outlier: 7.176A pdb=" N THR g 360 " --> pdb=" O ILE g 332 " (cutoff:3.500A) removed outlier: 4.665A pdb=" N PHE g 334 " --> pdb=" O ARG g 358 " (cutoff:3.500A) removed outlier: 6.878A pdb=" N ARG g 358 " --> pdb=" O PHE g 334 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N VAL g 336 " --> pdb=" O ASN g 356 " (cutoff:3.500A) removed outlier: 6.749A pdb=" N ASN g 356 " --> pdb=" O VAL g 336 " (cutoff:3.500A) Processing sheet with id= HI, first strand: chain 'h' and resid 28 through 29 removed outlier: 6.025A pdb=" N GLY h 28 " --> pdb=" O VAL h 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= HI Processing sheet with id= HJ, first strand: chain 'h' and resid 32 through 33 Processing sheet with id= HK, first strand: chain 'h' and resid 47 through 48 Processing sheet with id= HL, first strand: chain 'h' and resid 186 through 189 removed outlier: 3.782A pdb=" N ALA h 194 " --> pdb=" O ASP h 189 " (cutoff:3.500A) Processing sheet with id= HM, first strand: chain 'h' and resid 257 through 259 removed outlier: 3.865A pdb=" N ARG h 265 " --> pdb=" O ILE h 259 " (cutoff:3.500A) Processing sheet with id= HN, first strand: chain 'h' and resid 331 through 337 removed outlier: 7.169A pdb=" N THR h 360 " --> pdb=" O ILE h 332 " (cutoff:3.500A) removed outlier: 4.665A pdb=" N PHE h 334 " --> pdb=" O ARG h 358 " (cutoff:3.500A) removed outlier: 6.887A pdb=" N ARG h 358 " --> pdb=" O PHE h 334 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N VAL h 336 " --> pdb=" O ASN h 356 " (cutoff:3.500A) removed outlier: 6.749A pdb=" N ASN h 356 " --> pdb=" O VAL h 336 " (cutoff:3.500A) Processing sheet with id= HO, first strand: chain 'l' and resid 28 through 29 removed outlier: 6.021A pdb=" N GLY l 28 " --> pdb=" O VAL l 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= HO Processing sheet with id= HP, first strand: chain 'l' and resid 32 through 33 Processing sheet with id= HQ, first strand: chain 'l' and resid 47 through 48 Processing sheet with id= HR, first strand: chain 'l' and resid 186 through 189 removed outlier: 3.781A pdb=" N ALA l 194 " --> pdb=" O ASP l 189 " (cutoff:3.500A) Processing sheet with id= HS, first strand: chain 'l' and resid 257 through 259 removed outlier: 3.868A pdb=" N ARG l 265 " --> pdb=" O ILE l 259 " (cutoff:3.500A) Processing sheet with id= HT, first strand: chain 'l' and resid 331 through 337 removed outlier: 7.176A pdb=" N THR l 360 " --> pdb=" O ILE l 332 " (cutoff:3.500A) removed outlier: 4.665A pdb=" N PHE l 334 " --> pdb=" O ARG l 358 " (cutoff:3.500A) removed outlier: 6.887A pdb=" N ARG l 358 " --> pdb=" O PHE l 334 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N VAL l 336 " --> pdb=" O ASN l 356 " (cutoff:3.500A) removed outlier: 6.753A pdb=" N ASN l 356 " --> pdb=" O VAL l 336 " (cutoff:3.500A) Processing sheet with id= HU, first strand: chain 'k' and resid 28 through 29 removed outlier: 6.022A pdb=" N GLY k 28 " --> pdb=" O VAL k 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= HU Processing sheet with id= HV, first strand: chain 'k' and resid 32 through 33 Processing sheet with id= HW, first strand: chain 'k' and resid 47 through 48 Processing sheet with id= HX, first strand: chain 'k' and resid 186 through 189 removed outlier: 3.783A pdb=" N ALA k 194 " --> pdb=" O ASP k 189 " (cutoff:3.500A) Processing sheet with id= HY, first strand: chain 'k' and resid 257 through 259 removed outlier: 3.868A pdb=" N ARG k 265 " --> pdb=" O ILE k 259 " (cutoff:3.500A) Processing sheet with id= HZ, first strand: chain 'k' and resid 331 through 337 removed outlier: 7.173A pdb=" N THR k 360 " --> pdb=" O ILE k 332 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N PHE k 334 " --> pdb=" O ARG k 358 " (cutoff:3.500A) removed outlier: 6.883A pdb=" N ARG k 358 " --> pdb=" O PHE k 334 " (cutoff:3.500A) removed outlier: 4.409A pdb=" N VAL k 336 " --> pdb=" O ASN k 356 " (cutoff:3.500A) removed outlier: 6.749A pdb=" N ASN k 356 " --> pdb=" O VAL k 336 " (cutoff:3.500A) Processing sheet with id= IA, first strand: chain 'j' and resid 28 through 29 removed outlier: 6.024A pdb=" N GLY j 28 " --> pdb=" O VAL j 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= IA Processing sheet with id= IB, first strand: chain 'j' and resid 32 through 33 Processing sheet with id= IC, first strand: chain 'j' and resid 47 through 48 Processing sheet with id= ID, first strand: chain 'j' and resid 186 through 189 removed outlier: 3.779A pdb=" N ALA j 194 " --> pdb=" O ASP j 189 " (cutoff:3.500A) Processing sheet with id= IE, first strand: chain 'j' and resid 257 through 259 removed outlier: 3.868A pdb=" N ARG j 265 " --> pdb=" O ILE j 259 " (cutoff:3.500A) Processing sheet with id= IF, first strand: chain 'j' and resid 331 through 337 removed outlier: 7.178A pdb=" N THR j 360 " --> pdb=" O ILE j 332 " (cutoff:3.500A) removed outlier: 4.666A pdb=" N PHE j 334 " --> pdb=" O ARG j 358 " (cutoff:3.500A) removed outlier: 6.887A pdb=" N ARG j 358 " --> pdb=" O PHE j 334 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N VAL j 336 " --> pdb=" O ASN j 356 " (cutoff:3.500A) removed outlier: 6.753A pdb=" N ASN j 356 " --> pdb=" O VAL j 336 " (cutoff:3.500A) Processing sheet with id= IG, first strand: chain 'i' and resid 28 through 29 removed outlier: 6.024A pdb=" N GLY i 28 " --> pdb=" O VAL i 129 " (cutoff:3.500A) No H-bonds generated for sheet with id= IG Processing sheet with id= IH, first strand: chain 'i' and resid 32 through 33 Processing sheet with id= II, first strand: chain 'i' and resid 47 through 48 Processing sheet with id= IJ, first strand: chain 'i' and resid 186 through 189 removed outlier: 3.780A pdb=" N ALA i 194 " --> pdb=" O ASP i 189 " (cutoff:3.500A) Processing sheet with id= IK, first strand: chain 'i' and resid 257 through 259 removed outlier: 3.871A pdb=" N ARG i 265 " --> pdb=" O ILE i 259 " (cutoff:3.500A) Processing sheet with id= IL, first strand: chain 'i' and resid 331 through 337 removed outlier: 7.178A pdb=" N THR i 360 " --> pdb=" O ILE i 332 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N PHE i 334 " --> pdb=" O ARG i 358 " (cutoff:3.500A) removed outlier: 6.885A pdb=" N ARG i 358 " --> pdb=" O PHE i 334 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N VAL i 336 " --> pdb=" O ASN i 356 " (cutoff:3.500A) removed outlier: 6.749A pdb=" N ASN i 356 " --> pdb=" O VAL i 336 " (cutoff:3.500A) 3289 hydrogen bonds defined for protein. 8748 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: 46.34 Time building geometry restraints manager: 34.48 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.05 - 1.20: 135 1.20 - 1.36: 35146 1.36 - 1.51: 28196 1.51 - 1.66: 41967 1.66 - 1.81: 468 Bond restraints: 105912 Sorted by residual: bond pdb=" CG ASN 2 193 " pdb=" ND2 ASN 2 193 " ideal model delta sigma weight residual 1.328 1.090 0.238 2.10e-02 2.27e+03 1.29e+02 bond pdb=" CG ASN E 193 " pdb=" ND2 ASN E 193 " ideal model delta sigma weight residual 1.328 1.093 0.235 2.10e-02 2.27e+03 1.25e+02 bond pdb=" CG ASN F 193 " pdb=" ND2 ASN F 193 " ideal model delta sigma weight residual 1.328 1.106 0.222 2.10e-02 2.27e+03 1.12e+02 bond pdb=" CG ASN 0 193 " pdb=" ND2 ASN 0 193 " ideal model delta sigma weight residual 1.328 1.113 0.215 2.10e-02 2.27e+03 1.04e+02 bond pdb=" CG ASN 2 193 " pdb=" OD1 ASN 2 193 " ideal model delta sigma weight residual 1.231 1.053 0.178 1.90e-02 2.77e+03 8.82e+01 ... (remaining 105907 not shown) Histogram of bond angle deviations from ideal: 100.12 - 106.91: 2881 106.91 - 113.69: 60352 113.69 - 120.48: 31425 120.48 - 127.27: 48693 127.27 - 134.05: 1009 Bond angle restraints: 144360 Sorted by residual: angle pdb=" OD1 ASN E 193 " pdb=" CG ASN E 193 " pdb=" ND2 ASN E 193 " ideal model delta sigma weight residual 122.60 117.01 5.59 1.00e+00 1.00e+00 3.12e+01 angle pdb=" OD1 ASN 2 193 " pdb=" CG ASN 2 193 " pdb=" ND2 ASN 2 193 " ideal model delta sigma weight residual 122.60 117.06 5.54 1.00e+00 1.00e+00 3.07e+01 angle pdb=" OD1 ASN F 193 " pdb=" CG ASN F 193 " pdb=" ND2 ASN F 193 " ideal model delta sigma weight residual 122.60 117.27 5.33 1.00e+00 1.00e+00 2.84e+01 angle pdb=" OD1 ASN 0 193 " pdb=" CG ASN 0 193 " pdb=" ND2 ASN 0 193 " ideal model delta sigma weight residual 122.60 117.35 5.25 1.00e+00 1.00e+00 2.75e+01 angle pdb=" OD1 ASN 1 193 " pdb=" CG ASN 1 193 " pdb=" ND2 ASN 1 193 " ideal model delta sigma weight residual 122.60 118.24 4.36 1.00e+00 1.00e+00 1.90e+01 ... (remaining 144355 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 17.62: 60169 17.62 - 35.23: 2139 35.23 - 52.85: 324 52.85 - 70.47: 144 70.47 - 88.08: 44 Dihedral angle restraints: 62820 sinusoidal: 23256 harmonic: 39564 Sorted by residual: dihedral pdb=" CA ASP L 384 " pdb=" CB ASP L 384 " pdb=" CG ASP L 384 " pdb=" OD1 ASP L 384 " ideal model delta sinusoidal sigma weight residual -30.00 -89.88 59.88 1 2.00e+01 2.50e-03 1.20e+01 dihedral pdb=" CA ASP f 384 " pdb=" CB ASP f 384 " pdb=" CG ASP f 384 " pdb=" OD1 ASP f 384 " ideal model delta sinusoidal sigma weight residual -30.00 -89.82 59.82 1 2.00e+01 2.50e-03 1.19e+01 dihedral pdb=" CA ASP a 384 " pdb=" CB ASP a 384 " pdb=" CG ASP a 384 " pdb=" OD1 ASP a 384 " ideal model delta sinusoidal sigma weight residual -30.00 -89.76 59.76 1 2.00e+01 2.50e-03 1.19e+01 ... (remaining 62817 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.032: 12453 0.032 - 0.064: 2031 0.064 - 0.096: 379 0.096 - 0.128: 1356 0.128 - 0.160: 305 Chirality restraints: 16524 Sorted by residual: chirality pdb=" CA ILE P 306 " pdb=" N ILE P 306 " pdb=" C ILE P 306 " pdb=" CB ILE P 306 " both_signs ideal model delta sigma weight residual False 2.43 2.59 -0.16 2.00e-01 2.50e+01 6.43e-01 chirality pdb=" CA ILE 1 306 " pdb=" N ILE 1 306 " pdb=" C ILE 1 306 " pdb=" CB ILE 1 306 " both_signs ideal model delta sigma weight residual False 2.43 2.59 -0.16 2.00e-01 2.50e+01 6.29e-01 chirality pdb=" CA ILE H 306 " pdb=" N ILE H 306 " pdb=" C ILE H 306 " pdb=" CB ILE H 306 " both_signs ideal model delta sigma weight residual False 2.43 2.59 -0.16 2.00e-01 2.50e+01 6.22e-01 ... (remaining 16521 not shown) Planarity restraints: 18936 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CB ASN B 193 " 0.036 2.00e-02 2.50e+03 7.71e-02 5.95e+01 pdb=" CG ASN B 193 " -0.133 2.00e-02 2.50e+03 pdb=" OD1 ASN B 193 " 0.050 2.00e-02 2.50e+03 pdb=" ND2 ASN B 193 " 0.047 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CB ASN 1 193 " 0.034 2.00e-02 2.50e+03 7.28e-02 5.31e+01 pdb=" CG ASN 1 193 " -0.126 2.00e-02 2.50e+03 pdb=" OD1 ASN 1 193 " 0.047 2.00e-02 2.50e+03 pdb=" ND2 ASN 1 193 " 0.045 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CG GLN E 137 " 0.033 2.00e-02 2.50e+03 6.84e-02 4.68e+01 pdb=" CD GLN E 137 " -0.118 2.00e-02 2.50e+03 pdb=" OE1 GLN E 137 " 0.044 2.00e-02 2.50e+03 pdb=" NE2 GLN E 137 " 0.041 2.00e-02 2.50e+03 ... (remaining 18933 not shown) Histogram of nonbonded interaction distances: 2.11 - 2.67: 1839 2.67 - 3.23: 113871 3.23 - 3.78: 151629 3.78 - 4.34: 236802 4.34 - 4.90: 370423 Nonbonded interactions: 874564 Sorted by model distance: nonbonded pdb=" OG SER L 220 " pdb=" OD1 ASN L 269 " model vdw 2.112 2.440 nonbonded pdb=" OG SER l 220 " pdb=" OD1 ASN l 269 " model vdw 2.112 2.440 nonbonded pdb=" OG SER 1 220 " pdb=" OD1 ASN 1 269 " model vdw 2.112 2.440 nonbonded pdb=" OG SER 5 220 " pdb=" OD1 ASN 5 269 " model vdw 2.113 2.440 nonbonded pdb=" OG SER 4 220 " pdb=" OD1 ASN 4 269 " model vdw 2.113 2.440 ... (remaining 874559 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model Found NCS groups: ncs_group { reference = chain '0' selection = chain '1' selection = chain '2' selection = chain '3' selection = chain '4' selection = chain '5' selection = chain 'A' selection = chain 'B' selection = chain 'C' selection = chain 'D' selection = chain 'E' selection = chain 'F' selection = chain 'G' selection = chain 'H' selection = chain 'I' selection = chain 'J' selection = chain 'K' selection = chain 'L' selection = chain 'M' selection = chain 'N' selection = chain 'O' selection = chain 'P' selection = chain 'Q' selection = chain 'R' selection = chain 'a' selection = chain 'b' selection = chain 'c' selection = chain 'd' selection = chain 'e' selection = chain 'f' selection = chain 'g' selection = chain 'h' selection = chain 'i' selection = chain 'j' selection = chain 'k' selection = chain 'l' } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Set scattering table Set to: electron Number of scattering types: 4 Type Number sf(0) Gaussians S 288 5.16 5 C 65412 2.51 5 N 18144 2.21 5 O 19980 1.98 5 sf(0) = scattering factor at diffraction angle 0. Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as group one per residue Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 1.300 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: 0.080 Extract box with map and model: 13.140 Check model and map are aligned: 1.150 Convert atoms to be neutral: 0.680 Process input model: 212.290 Find NCS groups from input model: 5.730 Set up NCS constraints: 0.870 Set refine NCS operators: 0.000 Set scattering table: 0.020 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.020 Load rotamer database and sin/cos tables:2.420 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 237.700 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8224 moved from start: 0.0000 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.006 0.238 105912 Z= 0.427 Angle : 0.886 5.585 144360 Z= 0.615 Chirality : 0.044 0.160 16524 Planarity : 0.003 0.077 18936 Dihedral : 9.856 88.083 37332 Min Nonbonded Distance : 2.112 Molprobity Statistics. All-atom Clashscore : 3.86 Ramachandran Plot: Outliers : 4.67 % Allowed : 14.53 % Favored : 80.80 % Rotamer Outliers : 0.89 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -5.43 (0.06), residues: 13716 helix: -3.69 (0.04), residues: 5364 sheet: -5.34 (0.07), residues: 1800 loop : -2.87 (0.07), residues: 6552 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 27432 Ramachandran restraints generated. 13716 Oldfield, 0 Emsley, 13716 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 27432 Ramachandran restraints generated. 13716 Oldfield, 0 Emsley, 13716 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3564 residues out of total 10656 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 95 poor density : 3469 time to evaluate : 8.778 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 95 outliers final: 45 residues processed: 3564 average time/residue: 0.9353 time to fit residues: 5618.7760 Evaluate side-chains 2241 residues out of total 10656 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 45 poor density : 2196 time to evaluate : 8.890 Switching outliers to nearest non-outliers outliers start: 45 outliers final: 0 residues processed: 45 average time/residue: 0.7280 time to fit residues: 74.3826 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1368 random chunks: chunk 1155 optimal weight: 8.9990 chunk 1036 optimal weight: 0.9990 chunk 575 optimal weight: 20.0000 chunk 354 optimal weight: 6.9990 chunk 699 optimal weight: 20.0000 chunk 553 optimal weight: 10.0000 chunk 1072 optimal weight: 8.9990 chunk 414 optimal weight: 7.9990 chunk 651 optimal weight: 10.0000 chunk 798 optimal weight: 20.0000 chunk 1242 optimal weight: 0.9990 overall best weight: 5.1990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 186 GLN ** A 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 112 GLN ** F 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 327 ASN E 186 GLN ** E 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 186 GLN ** D 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 112 GLN ** C 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 186 GLN C 327 ASN ** 0 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 186 GLN 0 193 ASN ** 1 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 328 GLN ** 5 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 186 GLN ** 4 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 137 GLN 3 186 GLN ** 2 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 186 GLN 2 327 ASN ** G 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 186 GLN ** G 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 137 GLN H 186 GLN ** H 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 137 GLN L 186 GLN ** K 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 186 GLN ** K 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 186 GLN ** J 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 186 GLN ** I 343 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 137 GLN M 186 GLN M 327 ASN N 137 GLN N 186 GLN ** N 193 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 186 GLN R 327 ASN ** Q 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 186 GLN ** Q 193 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 186 GLN P 327 ASN O 186 GLN O 327 ASN ** a 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** a 186 GLN ** a 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 74 ASN ** f 160 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 186 GLN f 327 ASN ** f 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 186 GLN ** d 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 74 ASN ** c 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 160 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 186 GLN c 327 ASN ** c 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 186 GLN h 186 GLN ** l 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 186 GLN k 186 GLN j 186 GLN ** i 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** i 186 GLN Total number of N/Q/H flips: 50 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8320 moved from start: 0.3179 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.039 105912 Z= 0.295 Angle : 0.658 7.980 144360 Z= 0.345 Chirality : 0.045 0.210 16524 Planarity : 0.004 0.038 18936 Dihedral : 4.889 23.108 14796 Min Nonbonded Distance : 2.007 Molprobity Statistics. All-atom Clashscore : 12.72 Ramachandran Plot: Outliers : 0.79 % Allowed : 11.75 % Favored : 87.47 % Rotamer Outliers : 4.10 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -3.52 (0.07), residues: 13716 helix: -1.94 (0.06), residues: 5184 sheet: -4.82 (0.08), residues: 1836 loop : -1.77 (0.08), residues: 6696 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 27432 Ramachandran restraints generated. 13716 Oldfield, 0 Emsley, 13716 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 27432 Ramachandran restraints generated. 13716 Oldfield, 0 Emsley, 13716 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2855 residues out of total 10656 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 437 poor density : 2418 time to evaluate : 7.919 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 437 outliers final: 268 residues processed: 2637 average time/residue: 0.8092 time to fit residues: 3709.6289 Evaluate side-chains 2130 residues out of total 10656 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 268 poor density : 1862 time to evaluate : 7.969 Switching outliers to nearest non-outliers outliers start: 268 outliers final: 0 residues processed: 268 average time/residue: 0.6221 time to fit residues: 332.9450 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1368 random chunks: chunk 690 optimal weight: 20.0000 chunk 385 optimal weight: 20.0000 chunk 1033 optimal weight: 10.0000 chunk 845 optimal weight: 20.0000 chunk 342 optimal weight: 9.9990 chunk 1244 optimal weight: 7.9990 chunk 1344 optimal weight: 10.0000 chunk 1108 optimal weight: 6.9990 chunk 1234 optimal weight: 20.0000 chunk 424 optimal weight: 6.9990 chunk 998 optimal weight: 6.9990 overall best weight: 7.7990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 327 ASN ** B 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 327 ASN ** E 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 327 ASN ** C 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 327 ASN ** 0 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 94 GLN ** 1 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 327 ASN ** 3 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 160 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 112 GLN ** J 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 377 GLN ** I 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 350 GLN ** M 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** N 44 ASN ** N 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 44 ASN ** Q 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 44 ASN ** O 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** a 327 ASN ** b 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 160 ASN f 254 ASN ** e 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 327 ASN ** c 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 160 ASN ** c 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 254 ASN ** g 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 112 GLN g 133 HIS h 254 ASN ** l 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 112 GLN k 254 ASN ** j 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 133 HIS ** i 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** i 112 GLN Total number of N/Q/H flips: 25 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8390 moved from start: 0.3950 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.006 0.045 105912 Z= 0.389 Angle : 0.681 7.676 144360 Z= 0.356 Chirality : 0.045 0.196 16524 Planarity : 0.005 0.044 18936 Dihedral : 5.024 21.799 14796 Min Nonbonded Distance : 1.983 Molprobity Statistics. All-atom Clashscore : 14.67 Ramachandran Plot: Outliers : 1.04 % Allowed : 12.61 % Favored : 86.34 % Rotamer Outliers : 3.52 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.98 (0.07), residues: 13716 helix: -1.28 (0.07), residues: 5184 sheet: -4.44 (0.09), residues: 1836 loop : -1.69 (0.08), residues: 6696 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 27432 Ramachandran restraints generated. 13716 Oldfield, 0 Emsley, 13716 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 27432 Ramachandran restraints generated. 13716 Oldfield, 0 Emsley, 13716 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2106 residues out of total 10656 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 375 poor density : 1731 time to evaluate : 8.026 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 375 outliers final: 195 residues processed: 2042 average time/residue: 0.7874 time to fit residues: 2810.8470 Evaluate side-chains 1731 residues out of total 10656 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 195 poor density : 1536 time to evaluate : 7.955 Switching outliers to nearest non-outliers outliers start: 195 outliers final: 0 residues processed: 195 average time/residue: 0.6666 time to fit residues: 254.1609 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1368 random chunks: chunk 1229 optimal weight: 5.9990 chunk 935 optimal weight: 20.0000 chunk 645 optimal weight: 9.9990 chunk 137 optimal weight: 9.9990 chunk 593 optimal weight: 0.1980 chunk 835 optimal weight: 2.9990 chunk 1248 optimal weight: 5.9990 chunk 1322 optimal weight: 3.9990 chunk 652 optimal weight: 5.9990 chunk 1183 optimal weight: 10.0000 chunk 356 optimal weight: 10.0000 overall best weight: 3.8388 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 94 GLN A 137 GLN A 172 ASN ** B 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 137 GLN F 172 ASN ** E 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 137 GLN C 172 ASN 0 172 ASN 1 94 GLN ** 1 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 94 GLN ** 4 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 44 ASN ** G 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 160 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 223 ASN ** N 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 133 HIS ** N 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 44 ASN ** O 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 160 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 327 ASN ** b 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 327 ASN ** g 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 254 ASN ** l 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 254 ASN ** i 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 18 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8344 moved from start: 0.4217 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.034 105912 Z= 0.229 Angle : 0.591 7.411 144360 Z= 0.307 Chirality : 0.042 0.166 16524 Planarity : 0.004 0.040 18936 Dihedral : 4.645 20.161 14796 Min Nonbonded Distance : 1.999 Molprobity Statistics. All-atom Clashscore : 13.41 Ramachandran Plot: Outliers : 0.79 % Allowed : 9.29 % Favored : 89.92 % Rotamer Outliers : 2.88 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.49 (0.07), residues: 13716 helix: -0.84 (0.07), residues: 5184 sheet: -4.17 (0.09), residues: 1836 loop : -1.44 (0.08), residues: 6696 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 27432 Ramachandran restraints generated. 13716 Oldfield, 0 Emsley, 13716 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 27432 Ramachandran restraints generated. 13716 Oldfield, 0 Emsley, 13716 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2073 residues out of total 10656 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 307 poor density : 1766 time to evaluate : 7.992 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 307 outliers final: 168 residues processed: 1957 average time/residue: 0.7887 time to fit residues: 2687.2977 Evaluate side-chains 1731 residues out of total 10656 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 168 poor density : 1563 time to evaluate : 7.842 Switching outliers to nearest non-outliers outliers start: 168 outliers final: 0 residues processed: 168 average time/residue: 0.6574 time to fit residues: 221.4902 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1368 random chunks: chunk 1101 optimal weight: 8.9990 chunk 750 optimal weight: 10.0000 chunk 19 optimal weight: 20.0000 chunk 984 optimal weight: 1.9990 chunk 545 optimal weight: 9.9990 chunk 1128 optimal weight: 9.9990 chunk 914 optimal weight: 5.9990 chunk 1 optimal weight: 10.0000 chunk 675 optimal weight: 3.9990 chunk 1186 optimal weight: 20.0000 chunk 333 optimal weight: 1.9990 overall best weight: 4.5990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 137 GLN B 172 ASN ** B 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 137 GLN D 172 ASN ** C 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 44 ASN ** G 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 223 ASN ** H 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 350 GLN ** K 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 160 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 44 ASN ** J 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 133 HIS ** N 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 137 GLN R 172 ASN Q 137 GLN Q 172 ASN Q 193 ASN P 137 GLN P 172 ASN P 223 ASN O 44 ASN ** O 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 137 GLN ** a 160 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 223 ASN ** e 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 223 ASN c 347 GLN ** g 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 254 ASN ** h 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 254 ASN ** i 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 24 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8356 moved from start: 0.4439 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.034 105912 Z= 0.253 Angle : 0.595 7.449 144360 Z= 0.309 Chirality : 0.042 0.153 16524 Planarity : 0.004 0.046 18936 Dihedral : 4.645 19.484 14796 Min Nonbonded Distance : 2.010 Molprobity Statistics. All-atom Clashscore : 13.52 Ramachandran Plot: Outliers : 0.86 % Allowed : 9.76 % Favored : 89.38 % Rotamer Outliers : 2.89 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.28 (0.07), residues: 13716 helix: -0.63 (0.07), residues: 5112 sheet: -3.88 (0.10), residues: 1836 loop : -1.42 (0.08), residues: 6768 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 27432 Ramachandran restraints generated. 13716 Oldfield, 0 Emsley, 13716 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 27432 Ramachandran restraints generated. 13716 Oldfield, 0 Emsley, 13716 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1957 residues out of total 10656 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 308 poor density : 1649 time to evaluate : 8.718 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 308 outliers final: 146 residues processed: 1883 average time/residue: 0.7881 time to fit residues: 2602.4380 Evaluate side-chains 1681 residues out of total 10656 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 146 poor density : 1535 time to evaluate : 7.933 Switching outliers to nearest non-outliers outliers start: 146 outliers final: 0 residues processed: 146 average time/residue: 0.6759 time to fit residues: 194.8606 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1368 random chunks: chunk 444 optimal weight: 20.0000 chunk 1190 optimal weight: 1.9990 chunk 261 optimal weight: 20.0000 chunk 776 optimal weight: 20.0000 chunk 326 optimal weight: 0.8980 chunk 1323 optimal weight: 9.9990 chunk 1098 optimal weight: 9.9990 chunk 612 optimal weight: 9.9990 chunk 110 optimal weight: 20.0000 chunk 437 optimal weight: 20.0000 chunk 694 optimal weight: 20.0000 overall best weight: 6.5788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** B 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 44 ASN ** G 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 160 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 44 ASN ** J 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 193 ASN R 94 GLN P 133 HIS O 44 ASN ** O 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 160 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 137 GLN ** b 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 327 ASN e 137 GLN ** e 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 137 GLN d 327 ASN ** g 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 254 ASN ** h 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 254 ASN ** i 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 13 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8383 moved from start: 0.4636 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 0.041 105912 Z= 0.333 Angle : 0.641 8.050 144360 Z= 0.334 Chirality : 0.043 0.153 16524 Planarity : 0.004 0.055 18936 Dihedral : 4.929 20.176 14796 Min Nonbonded Distance : 2.008 Molprobity Statistics. All-atom Clashscore : 15.01 Ramachandran Plot: Outliers : 0.95 % Allowed : 10.35 % Favored : 88.70 % Rotamer Outliers : 3.04 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.26 (0.07), residues: 13716 helix: -0.65 (0.07), residues: 5076 sheet: -3.67 (0.11), residues: 1620 loop : -1.53 (0.07), residues: 7020 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 27432 Ramachandran restraints generated. 13716 Oldfield, 0 Emsley, 13716 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 27432 Ramachandran restraints generated. 13716 Oldfield, 0 Emsley, 13716 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1865 residues out of total 10656 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 324 poor density : 1541 time to evaluate : 8.022 Fit side-chains revert: symmetry clash outliers start: 324 outliers final: 200 residues processed: 1761 average time/residue: 0.7986 time to fit residues: 2458.5458 Evaluate side-chains 1653 residues out of total 10656 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 200 poor density : 1453 time to evaluate : 7.964 Switching outliers to nearest non-outliers outliers start: 200 outliers final: 0 residues processed: 200 average time/residue: 0.6682 time to fit residues: 261.1488 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1368 random chunks: chunk 1276 optimal weight: 1.9990 chunk 149 optimal weight: 7.9990 chunk 754 optimal weight: 6.9990 chunk 966 optimal weight: 10.0000 chunk 748 optimal weight: 5.9990 chunk 1114 optimal weight: 6.9990 chunk 739 optimal weight: 1.9990 chunk 1318 optimal weight: 5.9990 chunk 825 optimal weight: 20.0000 chunk 803 optimal weight: 6.9990 chunk 608 optimal weight: 10.0000 overall best weight: 4.5990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** B 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 137 GLN 5 172 ASN ** 4 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 44 ASN ** 2 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 2 137 GLN 2 172 ASN G 137 GLN G 172 ASN ** H 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** K 137 GLN ** K 160 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 172 ASN ** J 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** I 137 GLN I 172 ASN ** N 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 44 ASN ** O 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 160 ASN ** b 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 254 ASN e 112 GLN ** e 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 254 ASN ** h 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 254 ASN ** i 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 17 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8355 moved from start: 0.4742 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.038 105912 Z= 0.255 Angle : 0.601 7.580 144360 Z= 0.314 Chirality : 0.042 0.148 16524 Planarity : 0.004 0.049 18936 Dihedral : 4.749 19.916 14796 Min Nonbonded Distance : 2.020 Molprobity Statistics. All-atom Clashscore : 14.42 Ramachandran Plot: Outliers : 0.96 % Allowed : 9.11 % Favored : 89.94 % Rotamer Outliers : 1.60 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.09 (0.07), residues: 13716 helix: -0.51 (0.07), residues: 5076 sheet: -3.54 (0.11), residues: 1620 loop : -1.45 (0.07), residues: 7020 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 27432 Ramachandran restraints generated. 13716 Oldfield, 0 Emsley, 13716 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 27432 Ramachandran restraints generated. 13716 Oldfield, 0 Emsley, 13716 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1786 residues out of total 10656 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 170 poor density : 1616 time to evaluate : 9.606 Fit side-chains revert: symmetry clash outliers start: 170 outliers final: 85 residues processed: 1751 average time/residue: 0.7754 time to fit residues: 2364.0528 Evaluate side-chains 1597 residues out of total 10656 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 85 poor density : 1512 time to evaluate : 7.534 Switching outliers to nearest non-outliers outliers start: 85 outliers final: 0 residues processed: 85 average time/residue: 0.6086 time to fit residues: 109.0413 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1368 random chunks: chunk 815 optimal weight: 1.9990 chunk 526 optimal weight: 0.7980 chunk 787 optimal weight: 7.9990 chunk 397 optimal weight: 0.8980 chunk 259 optimal weight: 10.0000 chunk 255 optimal weight: 9.9990 chunk 838 optimal weight: 0.4980 chunk 898 optimal weight: 9.9990 chunk 651 optimal weight: 9.9990 chunk 122 optimal weight: 20.0000 chunk 1036 optimal weight: 9.9990 overall best weight: 2.4384 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** B 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 94 GLN ** E 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 269 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 44 ASN ** H 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 44 ASN K 160 ASN K 347 GLN ** J 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** M 137 GLN ** N 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 269 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 269 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 254 ASN ** h 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 298 HIS ** l 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 298 HIS ** j 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 254 ASN ** i 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 10 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8307 moved from start: 0.4837 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.036 105912 Z= 0.177 Angle : 0.565 7.686 144360 Z= 0.293 Chirality : 0.041 0.152 16524 Planarity : 0.004 0.042 18936 Dihedral : 4.467 18.335 14796 Min Nonbonded Distance : 2.032 Molprobity Statistics. All-atom Clashscore : 13.55 Ramachandran Plot: Outliers : 0.98 % Allowed : 8.33 % Favored : 90.68 % Rotamer Outliers : 1.25 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.93 (0.07), residues: 13716 helix: -0.35 (0.07), residues: 5148 sheet: -3.41 (0.12), residues: 1620 loop : -1.39 (0.07), residues: 6948 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 27432 Ramachandran restraints generated. 13716 Oldfield, 0 Emsley, 13716 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 27432 Ramachandran restraints generated. 13716 Oldfield, 0 Emsley, 13716 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1917 residues out of total 10656 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 133 poor density : 1784 time to evaluate : 7.917 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 133 outliers final: 74 residues processed: 1855 average time/residue: 0.8126 time to fit residues: 2613.1799 Evaluate side-chains 1677 residues out of total 10656 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 74 poor density : 1603 time to evaluate : 7.466 Switching outliers to nearest non-outliers outliers start: 74 outliers final: 0 residues processed: 74 average time/residue: 0.7017 time to fit residues: 103.7852 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1368 random chunks: chunk 1199 optimal weight: 9.9990 chunk 1263 optimal weight: 3.9990 chunk 1152 optimal weight: 0.7980 chunk 1228 optimal weight: 3.9990 chunk 1262 optimal weight: 5.9990 chunk 739 optimal weight: 10.0000 chunk 535 optimal weight: 5.9990 chunk 964 optimal weight: 9.9990 chunk 377 optimal weight: 10.0000 chunk 1110 optimal weight: 20.0000 chunk 1162 optimal weight: 10.0000 overall best weight: 4.1588 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** B 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 112 GLN ** E 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 254 ASN ** H 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 269 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 269 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 254 ASN ** h 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 254 ASN ** i 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 4 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8332 moved from start: 0.4912 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.045 105912 Z= 0.241 Angle : 0.596 8.335 144360 Z= 0.310 Chirality : 0.042 0.278 16524 Planarity : 0.004 0.060 18936 Dihedral : 4.575 20.497 14796 Min Nonbonded Distance : 2.018 Molprobity Statistics. All-atom Clashscore : 14.30 Ramachandran Plot: Outliers : 0.99 % Allowed : 8.95 % Favored : 90.06 % Rotamer Outliers : 1.10 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.90 (0.07), residues: 13716 helix: -0.35 (0.07), residues: 5148 sheet: -3.39 (0.11), residues: 1620 loop : -1.36 (0.07), residues: 6948 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 27432 Ramachandran restraints generated. 13716 Oldfield, 0 Emsley, 13716 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 27432 Ramachandran restraints generated. 13716 Oldfield, 0 Emsley, 13716 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1709 residues out of total 10656 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 117 poor density : 1592 time to evaluate : 7.540 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 117 outliers final: 71 residues processed: 1667 average time/residue: 0.7582 time to fit residues: 2205.8128 Evaluate side-chains 1612 residues out of total 10656 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 71 poor density : 1541 time to evaluate : 7.488 Switching outliers to nearest non-outliers outliers start: 71 outliers final: 0 residues processed: 71 average time/residue: 0.6303 time to fit residues: 94.1697 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1368 random chunks: chunk 1224 optimal weight: 30.0000 chunk 806 optimal weight: 10.0000 chunk 1299 optimal weight: 0.8980 chunk 793 optimal weight: 4.9990 chunk 616 optimal weight: 30.0000 chunk 903 optimal weight: 5.9990 chunk 1362 optimal weight: 9.9990 chunk 1254 optimal weight: 20.0000 chunk 1085 optimal weight: 10.0000 chunk 112 optimal weight: 0.6980 chunk 838 optimal weight: 20.0000 overall best weight: 4.5186 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** B 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 94 GLN ** E 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 223 ASN ** H 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 347 GLN ** J 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 269 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 269 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 254 ASN ** i 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 4 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8336 moved from start: 0.4971 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.047 105912 Z= 0.253 Angle : 0.604 7.753 144360 Z= 0.315 Chirality : 0.042 0.308 16524 Planarity : 0.004 0.056 18936 Dihedral : 4.664 19.544 14796 Min Nonbonded Distance : 2.017 Molprobity Statistics. All-atom Clashscore : 14.66 Ramachandran Plot: Outliers : 1.00 % Allowed : 8.96 % Favored : 90.04 % Rotamer Outliers : 0.64 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.91 (0.07), residues: 13716 helix: -0.38 (0.07), residues: 5148 sheet: -3.40 (0.11), residues: 1620 loop : -1.35 (0.07), residues: 6948 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 27432 Ramachandran restraints generated. 13716 Oldfield, 0 Emsley, 13716 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 27432 Ramachandran restraints generated. 13716 Oldfield, 0 Emsley, 13716 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1645 residues out of total 10656 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 68 poor density : 1577 time to evaluate : 8.147 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 68 outliers final: 43 residues processed: 1610 average time/residue: 0.7900 time to fit residues: 2229.8821 Evaluate side-chains 1563 residues out of total 10656 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 43 poor density : 1520 time to evaluate : 7.551 Switching outliers to nearest non-outliers outliers start: 43 outliers final: 0 residues processed: 43 average time/residue: 0.6894 time to fit residues: 64.2736 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1368 random chunks: chunk 665 optimal weight: 9.9990 chunk 862 optimal weight: 10.0000 chunk 1156 optimal weight: 20.0000 chunk 332 optimal weight: 10.0000 chunk 1000 optimal weight: 10.0000 chunk 160 optimal weight: 30.0000 chunk 301 optimal weight: 10.0000 chunk 1086 optimal weight: 8.9990 chunk 454 optimal weight: 0.0030 chunk 1116 optimal weight: 10.0000 chunk 137 optimal weight: 0.0670 overall best weight: 5.8136 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** B 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 94 GLN ** E 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 172 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 328 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 133 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 94 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 327 ASN ** e 327 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 137 GLN c 172 ASN ** g 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 254 ASN ** i 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 137 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 5 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3235 r_free = 0.3235 target = 0.128427 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 39)----------------| | r_work = 0.3170 r_free = 0.3170 target = 0.123492 restraints weight = 160139.784| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 34)----------------| | r_work = 0.3189 r_free = 0.3189 target = 0.124898 restraints weight = 95357.372| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 30)----------------| | r_work = 0.3201 r_free = 0.3201 target = 0.125853 restraints weight = 60350.826| |-----------------------------------------------------------------------------| r_work (final): 0.3200 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8265 moved from start: 0.5011 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 0.050 105912 Z= 0.307 Angle : 0.634 8.068 144360 Z= 0.331 Chirality : 0.043 0.294 16524 Planarity : 0.004 0.055 18936 Dihedral : 4.853 19.285 14796 Min Nonbonded Distance : 2.012 Molprobity Statistics. All-atom Clashscore : 15.42 Ramachandran Plot: Outliers : 1.00 % Allowed : 9.94 % Favored : 89.06 % Rotamer Outliers : 0.61 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.00 (0.07), residues: 13716 helix: -0.45 (0.07), residues: 5148 sheet: -3.44 (0.11), residues: 1620 loop : -1.39 (0.07), residues: 6948 =============================================================================== Job complete usr+sys time: 35885.39 seconds wall clock time: 619 minutes 35.77 seconds (37175.77 seconds total)