Starting phenix.real_space_refine (version: 1.21rc1) on Mon Apr 24 02:13:33 2023 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6q16_20556/04_2023/6q16_20556.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6q16_20556/04_2023/6q16_20556.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=4.1 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6q16_20556/04_2023/6q16_20556.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6q16_20556/04_2023/6q16_20556.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6q16_20556/04_2023/6q16_20556.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6q16_20556/04_2023/6q16_20556.pdb" } resolution = 4.1 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= 0.001 sd= 0.006 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Set scattering table Set to: electron Number of scattering types: 4 Type Number sf(0) Gaussians S 380 5.16 5 C 75405 2.51 5 N 20374 2.21 5 O 22039 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "AA GLU 30": "OE1" <-> "OE2" Residue "AA TYR 56": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AA ASP 92": "OD1" <-> "OD2" Residue "AA GLU 121": "OE1" <-> "OE2" Residue "AA TYR 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AA ASP 133": "OD1" <-> "OD2" Residue "AA TYR 154": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AA ASP 166": "OD1" <-> "OD2" Residue "AA ASP 181": "OD1" <-> "OD2" Residue "AA ASP 192": "OD1" <-> "OD2" Residue "AB ASP 22": "OD1" <-> "OD2" Residue "AB ASP 50": "OD1" <-> "OD2" Residue "AB ASP 92": "OD1" <-> "OD2" Residue "AB GLU 121": "OE1" <-> "OE2" Residue "AB TYR 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AB ASP 135": "OD1" <-> "OD2" Residue "AB GLU 138": "OE1" <-> "OE2" Residue "AB TYR 154": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AB ASP 181": "OD1" <-> "OD2" Residue "AB ASP 192": "OD1" <-> "OD2" Residue "AC ASP 20": "OD1" <-> "OD2" Residue "AC GLU 30": "OE1" <-> "OE2" Residue "AC ASP 50": "OD1" <-> "OD2" Residue "AC GLU 62": "OE1" <-> "OE2" Residue "AC TYR 75": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AC ASP 92": "OD1" <-> "OD2" Residue "AC TYR 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AC ARG 141": "NH1" <-> "NH2" Residue "AC ASP 177": "OD1" <-> "OD2" Residue "AC ASP 192": "OD1" <-> "OD2" Residue "AD GLU 30": "OE1" <-> "OE2" Residue "AD TYR 56": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AD GLU 101": "OE1" <-> "OE2" Residue "AD GLU 121": "OE1" <-> "OE2" Residue "AD TYR 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AD TYR 154": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AD ASP 166": "OD1" <-> "OD2" Residue "AD ASP 179": "OD1" <-> "OD2" Residue "AE GLU 30": "OE1" <-> "OE2" Residue "AE TYR 56": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AE GLU 62": "OE1" <-> "OE2" Residue "AE ASP 92": "OD1" <-> "OD2" Residue "AE GLU 110": "OE1" <-> "OE2" Residue "AE TYR 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AE ASP 133": "OD1" <-> "OD2" Residue "AF GLU 30": "OE1" <-> "OE2" Residue "AF TYR 56": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AF ASP 64": "OD1" <-> "OD2" Residue "AF TYR 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AF GLU 138": "OE1" <-> "OE2" Residue "AF ARG 141": "NH1" <-> "NH2" Residue "AF TYR 154": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AF ASP 177": "OD1" <-> "OD2" Residue "AF ASP 181": "OD1" <-> "OD2" Residue "AG ASP 20": "OD1" <-> "OD2" Residue "AG TYR 56": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AG TYR 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AG ASP 133": "OD1" <-> "OD2" Residue "AG ARG 141": "NH1" <-> "NH2" Residue "AG ASP 179": "OD1" <-> "OD2" Residue "AH ASP 20": "OD1" <-> "OD2" Residue "AH TYR 56": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AH GLU 62": "OE1" <-> "OE2" Residue "AH ASP 92": "OD1" <-> "OD2" Residue "AH GLU 121": "OE1" <-> "OE2" Residue "AH TYR 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AH ARG 141": "NH1" <-> "NH2" Residue "AH ASP 177": "OD1" <-> "OD2" Residue "AI ASP 20": "OD1" <-> "OD2" Residue "AI ASP 28": "OD1" <-> "OD2" Residue "AI GLU 30": "OE1" <-> "OE2" Residue "AI ASP 50": "OD1" <-> "OD2" Residue "AI TYR 56": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AI GLU 62": "OE1" <-> "OE2" Residue "AI TYR 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AI GLU 138": "OE1" <-> "OE2" Residue "AI ARG 141": "NH1" <-> "NH2" Residue "AI TYR 154": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AI ASP 177": "OD1" <-> "OD2" Residue "A ASP 39": "OD1" <-> "OD2" Residue "A ASP 40": "OD1" <-> "OD2" Residue "A TYR 100": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 102": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 115": "NH1" <-> "NH2" Residue "A ARG 139": "NH1" <-> "NH2" Residue "A ASP 141": "OD1" <-> "OD2" Residue "A PHE 147": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 100": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ARG 115": "NH1" <-> "NH2" Residue "B ARG 139": "NH1" <-> "NH2" Residue "B PHE 147": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ASP 167": "OD1" <-> "OD2" Residue "C ASP 39": "OD1" <-> "OD2" Residue "C ASP 40": "OD1" <-> "OD2" Residue "C ASP 47": "OD1" <-> "OD2" Residue "C GLU 55": "OE1" <-> "OE2" Residue "C GLU 73": "OE1" <-> "OE2" Residue "C TYR 100": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 102": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 103": "OD1" <-> "OD2" Residue "C ARG 115": "NH1" <-> "NH2" Residue "C GLU 121": "OE1" <-> "OE2" Residue "C ARG 139": "NH1" <-> "NH2" Residue "D ASP 76": "OD1" <-> "OD2" Residue "D TYR 100": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 102": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ARG 115": "NH1" <-> "NH2" Residue "D ARG 139": "NH1" <-> "NH2" Residue "D ASP 141": "OD1" <-> "OD2" Residue "D PHE 147": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 157": "OD1" <-> "OD2" Residue "E GLU 172": "OE1" <-> "OE2" Residue "E GLU 182": "OE1" <-> "OE2" Residue "E ASP 191": "OD1" <-> "OD2" Residue "E TYR 195": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E GLU 201": "OE1" <-> "OE2" Residue "E ASP 237": "OD1" <-> "OD2" Residue "E GLU 252": "OE1" <-> "OE2" Residue "E GLU 273": "OE1" <-> "OE2" Residue "E TYR 285": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 325": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ASP 332": "OD1" <-> "OD2" Residue "E PHE 357": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ASP 363": "OD1" <-> "OD2" Residue "E ARG 369": "NH1" <-> "NH2" Residue "E TYR 387": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ASP 39": "OD1" <-> "OD2" Residue "F ARG 43": "NH1" <-> "NH2" Residue "F TYR 100": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ARG 115": "NH1" <-> "NH2" Residue "F GLU 121": "OE1" <-> "OE2" Residue "F ARG 139": "NH1" <-> "NH2" Residue "F PHE 147": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 39": "OD1" <-> "OD2" Residue "G ARG 43": "NH1" <-> "NH2" Residue "G ASP 47": "OD1" <-> "OD2" Residue "G GLU 55": "OE1" <-> "OE2" Residue "G GLU 82": "OE1" <-> "OE2" Residue "G TYR 100": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 102": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 103": "OD1" <-> "OD2" Residue "G ARG 115": "NH1" <-> "NH2" Residue "G GLU 121": "OE1" <-> "OE2" Residue "G ARG 139": "NH1" <-> "NH2" Residue "G ASP 141": "OD1" <-> "OD2" Residue "G ASP 157": "OD1" <-> "OD2" Residue "H ASP 39": "OD1" <-> "OD2" Residue "H ASP 76": "OD1" <-> "OD2" Residue "H TYR 100": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H ARG 115": "NH1" <-> "NH2" Residue "H ARG 139": "NH1" <-> "NH2" Residue "H ASP 167": "OD1" <-> "OD2" Residue "I ASP 39": "OD1" <-> "OD2" Residue "I ASP 47": "OD1" <-> "OD2" Residue "I ASP 76": "OD1" <-> "OD2" Residue "I TYR 100": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I TYR 102": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ARG 115": "NH1" <-> "NH2" Residue "I GLU 121": "OE1" <-> "OE2" Residue "I ARG 139": "NH1" <-> "NH2" Residue "J ASP 47": "OD1" <-> "OD2" Residue "J GLU 55": "OE1" <-> "OE2" Residue "J ASP 76": "OD1" <-> "OD2" Residue "J GLU 82": "OE1" <-> "OE2" Residue "J TYR 100": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 102": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ARG 115": "NH1" <-> "NH2" Residue "J ARG 139": "NH1" <-> "NH2" Residue "J ASP 157": "OD1" <-> "OD2" Residue "J ASP 167": "OD1" <-> "OD2" Residue "K ASP 47": "OD1" <-> "OD2" Residue "K GLU 73": "OE1" <-> "OE2" Residue "K ASP 76": "OD1" <-> "OD2" Residue "K TYR 100": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ARG 115": "NH1" <-> "NH2" Residue "K ARG 139": "NH1" <-> "NH2" Residue "L ASP 40": "OD1" <-> "OD2" Residue "L ASP 76": "OD1" <-> "OD2" Residue "L GLU 82": "OE1" <-> "OE2" Residue "L TYR 100": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 102": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ARG 115": "NH1" <-> "NH2" Residue "L ARG 139": "NH1" <-> "NH2" Residue "L ASP 141": "OD1" <-> "OD2" Residue "M GLU 55": "OE1" <-> "OE2" Residue "M ASP 76": "OD1" <-> "OD2" Residue "M GLU 82": "OE1" <-> "OE2" Residue "M TYR 100": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 102": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ARG 115": "NH1" <-> "NH2" Residue "M ARG 139": "NH1" <-> "NH2" Residue "M ASP 157": "OD1" <-> "OD2" Residue "N ASP 39": "OD1" <-> "OD2" Residue "N ASP 40": "OD1" <-> "OD2" Residue "N ARG 43": "NH1" <-> "NH2" Residue "N GLU 55": "OE1" <-> "OE2" Residue "N TYR 100": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ARG 115": "NH1" <-> "NH2" Residue "N ARG 139": "NH1" <-> "NH2" Residue "N PHE 147": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ASP 167": "OD1" <-> "OD2" Residue "O GLU 82": "OE1" <-> "OE2" Residue "O TYR 100": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ARG 115": "NH1" <-> "NH2" Residue "O ARG 139": "NH1" <-> "NH2" Residue "O ASP 141": "OD1" <-> "OD2" Residue "P ASP 39": "OD1" <-> "OD2" Residue "P ASP 40": "OD1" <-> "OD2" Residue "P GLU 73": "OE1" <-> "OE2" Residue "P TYR 100": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ARG 115": "NH1" <-> "NH2" Residue "P ARG 139": "NH1" <-> "NH2" Residue "P ASP 167": "OD1" <-> "OD2" Residue "Q ASP 40": "OD1" <-> "OD2" Residue "Q ASP 47": "OD1" <-> "OD2" Residue "Q GLU 55": "OE1" <-> "OE2" Residue "Q ASP 76": "OD1" <-> "OD2" Residue "Q TYR 100": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q GLU 106": "OE1" <-> "OE2" Residue "Q ARG 115": "NH1" <-> "NH2" Residue "Q ARG 139": "NH1" <-> "NH2" Residue "R GLU 172": "OE1" <-> "OE2" Residue "R ASP 191": "OD1" <-> "OD2" Residue "R TYR 195": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R GLU 201": "OE1" <-> "OE2" Residue "R ASP 203": "OD1" <-> "OD2" Residue "R GLU 227": "OE1" <-> "OE2" Residue "R ASP 251": "OD1" <-> "OD2" Residue "R GLU 252": "OE1" <-> "OE2" Residue "R GLU 273": "OE1" <-> "OE2" Residue "R TYR 285": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 325": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R ASP 332": "OD1" <-> "OD2" Residue "R PHE 357": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R PHE 388": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S ASP 174": "OD1" <-> "OD2" Residue "S GLU 180": "OE1" <-> "OE2" Residue "S ASP 191": "OD1" <-> "OD2" Residue "S GLU 201": "OE1" <-> "OE2" Residue "S GLU 227": "OE1" <-> "OE2" Residue "S ASP 237": "OD1" <-> "OD2" Residue "S ASP 251": "OD1" <-> "OD2" Residue "S GLU 273": "OE1" <-> "OE2" Residue "S TYR 285": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S ASP 344": "OD1" <-> "OD2" Residue "S GLU 360": "OE1" <-> "OE2" Residue "S PHE 371": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 378": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T GLU 172": "OE1" <-> "OE2" Residue "T TYR 195": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T ASP 203": "OD1" <-> "OD2" Residue "T GLU 273": "OE1" <-> "OE2" Residue "T TYR 285": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T GLU 335": "OE1" <-> "OE2" Residue "T ASP 344": "OD1" <-> "OD2" Residue "T GLU 360": "OE1" <-> "OE2" Residue "T ARG 369": "NH1" <-> "NH2" Residue "T TYR 387": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T PHE 388": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U GLU 182": "OE1" <-> "OE2" Residue "U ASP 191": "OD1" <-> "OD2" Residue "U GLU 201": "OE1" <-> "OE2" Residue "U ASP 217": "OD1" <-> "OD2" Residue "U GLU 225": "OE1" <-> "OE2" Residue "U GLU 227": "OE1" <-> "OE2" Residue "U TYR 239": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U GLU 273": "OE1" <-> "OE2" Residue "U TYR 285": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 325": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 378": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 387": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U PHE 388": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V GLU 172": "OE1" <-> "OE2" Residue "V ASP 191": "OD1" <-> "OD2" Residue "V TYR 195": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V GLU 201": "OE1" <-> "OE2" Residue "V ASP 215": "OD1" <-> "OD2" Residue "V GLU 225": "OE1" <-> "OE2" Residue "V ASP 237": "OD1" <-> "OD2" Residue "V ASP 251": "OD1" <-> "OD2" Residue "V TYR 285": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V ASP 295": "OD1" <-> "OD2" Residue "V GLU 335": "OE1" <-> "OE2" Residue "V ASP 344": "OD1" <-> "OD2" Residue "V GLU 360": "OE1" <-> "OE2" Residue "V ASP 363": "OD1" <-> "OD2" Residue "V PHE 371": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W GLU 172": "OE1" <-> "OE2" Residue "W GLU 182": "OE1" <-> "OE2" Residue "W GLU 201": "OE1" <-> "OE2" Residue "W GLU 225": "OE1" <-> "OE2" Residue "W GLU 228": "OE1" <-> "OE2" Residue "W ASP 237": "OD1" <-> "OD2" Residue "W GLU 273": "OE1" <-> "OE2" Residue "W TYR 285": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 325": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W ARG 369": "NH1" <-> "NH2" Residue "W GLU 376": "OE1" <-> "OE2" Residue "W TYR 387": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X GLU 172": "OE1" <-> "OE2" Residue "X ASP 174": "OD1" <-> "OD2" Residue "X ASP 191": "OD1" <-> "OD2" Residue "X TYR 195": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X GLU 201": "OE1" <-> "OE2" Residue "X ASP 217": "OD1" <-> "OD2" Residue "X GLU 227": "OE1" <-> "OE2" Residue "X ASP 237": "OD1" <-> "OD2" Residue "X TYR 239": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 240": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 285": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X ASP 296": "OD1" <-> "OD2" Residue "X PHE 325": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X GLU 360": "OE1" <-> "OE2" Residue "X ASP 364": "OD1" <-> "OD2" Residue "X PHE 371": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 378": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X PHE 388": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y GLU 172": "OE1" <-> "OE2" Residue "Y ASP 174": "OD1" <-> "OD2" Residue "Y ASP 191": "OD1" <-> "OD2" Residue "Y ASP 203": "OD1" <-> "OD2" Residue "Y GLU 225": "OE1" <-> "OE2" Residue "Y ASP 237": "OD1" <-> "OD2" Residue "Y TYR 239": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y GLU 252": "OE1" <-> "OE2" Residue "Y GLU 273": "OE1" <-> "OE2" Residue "Y TYR 285": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y ASP 287": "OD1" <-> "OD2" Residue "Y PHE 371": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y TYR 378": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y PHE 388": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z ASP 174": "OD1" <-> "OD2" Residue "Z GLU 182": "OE1" <-> "OE2" Residue "Z GLU 201": "OE1" <-> "OE2" Residue "Z GLU 228": "OE1" <-> "OE2" Residue "Z ASP 237": "OD1" <-> "OD2" Residue "Z TYR 285": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 325": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z PHE 357": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z ARG 369": "NH1" <-> "NH2" Residue "Z GLU 376": "OE1" <-> "OE2" Residue "Z TYR 387": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AL GLU 30": "OE1" <-> "OE2" Residue "AL GLU 34": "OE1" <-> "OE2" Residue "AL TYR 106": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AL TYR 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AL ASP 133": "OD1" <-> "OD2" Residue "AL ASP 135": "OD1" <-> "OD2" Residue "AL ARG 141": "NH1" <-> "NH2" Residue "AL ASP 166": "OD1" <-> "OD2" Residue "AL ASP 181": "OD1" <-> "OD2" Residue "AL ASP 192": "OD1" <-> "OD2" Residue "a ASP 174": "OD1" <-> "OD2" Residue "a GLU 180": "OE1" <-> "OE2" Residue "a ASP 191": "OD1" <-> "OD2" Residue "a TYR 285": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 325": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a ASP 332": "OD1" <-> "OD2" Residue "a ASP 344": "OD1" <-> "OD2" Residue "a TYR 378": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a PHE 388": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b GLU 172": "OE1" <-> "OE2" Residue "b GLU 182": "OE1" <-> "OE2" Residue "b TYR 195": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b GLU 201": "OE1" <-> "OE2" Residue "b ASP 203": "OD1" <-> "OD2" Residue "b GLU 227": "OE1" <-> "OE2" Residue "b TYR 239": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b TYR 285": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b ASP 287": "OD1" <-> "OD2" Residue "b PHE 325": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b ASP 332": "OD1" <-> "OD2" Residue "b GLU 335": "OE1" <-> "OE2" Residue "b ASP 363": "OD1" <-> "OD2" Residue "b ASP 364": "OD1" <-> "OD2" Residue "b PHE 371": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b TYR 378": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 388": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c GLU 182": "OE1" <-> "OE2" Residue "c TYR 239": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c GLU 252": "OE1" <-> "OE2" Residue "c TYR 285": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c ASP 287": "OD1" <-> "OD2" Residue "c ASP 296": "OD1" <-> "OD2" Residue "c PHE 325": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c ASP 332": "OD1" <-> "OD2" Residue "c ARG 369": "NH1" <-> "NH2" Residue "c GLU 376": "OE1" <-> "OE2" Residue "c TYR 387": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d GLU 180": "OE1" <-> "OE2" Residue "d ASP 237": "OD1" <-> "OD2" Residue "d GLU 271": "OE1" <-> "OE2" Residue "d GLU 273": "OE1" <-> "OE2" Residue "d TYR 285": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d PHE 325": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d ASP 344": "OD1" <-> "OD2" Residue "d ASP 363": "OD1" <-> "OD2" Residue "d PHE 388": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e GLU 225": "OE1" <-> "OE2" Residue "e GLU 227": "OE1" <-> "OE2" Residue "e ASP 251": "OD1" <-> "OD2" Residue "e TYR 285": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e ASP 333": "OD1" <-> "OD2" Residue "e ASP 364": "OD1" <-> "OD2" Residue "e PHE 371": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e TYR 378": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f GLU 172": "OE1" <-> "OE2" Residue "f TYR 195": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f GLU 201": "OE1" <-> "OE2" Residue "f ASP 203": "OD1" <-> "OD2" Residue "f ASP 215": "OD1" <-> "OD2" Residue "f GLU 227": "OE1" <-> "OE2" Residue "f GLU 273": "OE1" <-> "OE2" Residue "f PHE 325": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f ASP 332": "OD1" <-> "OD2" Residue "f ASP 344": "OD1" <-> "OD2" Residue "f ARG 369": "NH1" <-> "NH2" Residue "f TYR 387": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 388": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g ASP 191": "OD1" <-> "OD2" Residue "g TYR 195": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g ASP 217": "OD1" <-> "OD2" Residue "g GLU 225": "OE1" <-> "OE2" Residue "g ASP 237": "OD1" <-> "OD2" Residue "g TYR 239": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g GLU 273": "OE1" <-> "OE2" Residue "g TYR 285": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g ASP 295": "OD1" <-> "OD2" Residue "g PHE 325": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g ASP 333": "OD1" <-> "OD2" Residue "g GLU 335": "OE1" <-> "OE2" Residue "g ASP 344": "OD1" <-> "OD2" Residue "g TYR 347": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g GLU 360": "OE1" <-> "OE2" Residue "g PHE 371": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 388": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h GLU 172": "OE1" <-> "OE2" Residue "h ASP 174": "OD1" <-> "OD2" Residue "h GLU 201": "OE1" <-> "OE2" Residue "h GLU 225": "OE1" <-> "OE2" Residue "h GLU 227": "OE1" <-> "OE2" Residue "h ASP 237": "OD1" <-> "OD2" Residue "h GLU 252": "OE1" <-> "OE2" Residue "h GLU 271": "OE1" <-> "OE2" Residue "h GLU 273": "OE1" <-> "OE2" Residue "h TYR 285": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h ASP 287": "OD1" <-> "OD2" Residue "h PHE 325": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h ASP 344": "OD1" <-> "OD2" Residue "h PHE 371": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 388": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i ASP 174": "OD1" <-> "OD2" Residue "i GLU 180": "OE1" <-> "OE2" Residue "i ASP 203": "OD1" <-> "OD2" Residue "i GLU 225": "OE1" <-> "OE2" Residue "i GLU 227": "OE1" <-> "OE2" Residue "i GLU 228": "OE1" <-> "OE2" Residue "i ASP 237": "OD1" <-> "OD2" Residue "i TYR 239": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i GLU 252": "OE1" <-> "OE2" Residue "i GLU 273": "OE1" <-> "OE2" Residue "i TYR 285": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 325": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i ARG 369": "NH1" <-> "NH2" Residue "i GLU 376": "OE1" <-> "OE2" Residue "i TYR 387": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j ASP 174": "OD1" <-> "OD2" Residue "j GLU 180": "OE1" <-> "OE2" Residue "j GLU 201": "OE1" <-> "OE2" Residue "j ASP 203": "OD1" <-> "OD2" Residue "j GLU 225": "OE1" <-> "OE2" Residue "j ASP 237": "OD1" <-> "OD2" Residue "j ASP 251": "OD1" <-> "OD2" Residue "j GLU 271": "OE1" <-> "OE2" Residue "j GLU 273": "OE1" <-> "OE2" Residue "j TYR 285": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j ASP 287": "OD1" <-> "OD2" Residue "j ASP 296": "OD1" <-> "OD2" Residue "j PHE 325": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j ASP 332": "OD1" <-> "OD2" Residue "j GLU 335": "OE1" <-> "OE2" Residue "j ASP 344": "OD1" <-> "OD2" Residue "j ASP 363": "OD1" <-> "OD2" Residue "j PHE 371": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j TYR 373": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j TYR 378": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j PHE 388": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k ASP 203": "OD1" <-> "OD2" Residue "k GLU 225": "OE1" <-> "OE2" Residue "k ASP 237": "OD1" <-> "OD2" Residue "k TYR 285": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 325": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k ASP 332": "OD1" <-> "OD2" Residue "k ASP 333": "OD1" <-> "OD2" Residue "k ASP 344": "OD1" <-> "OD2" Residue "k ASP 363": "OD1" <-> "OD2" Residue "k ASP 364": "OD1" <-> "OD2" Residue "k PHE 371": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k TYR 378": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 388": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l ASP 217": "OD1" <-> "OD2" Residue "l GLU 227": "OE1" <-> "OE2" Residue "l ASP 237": "OD1" <-> "OD2" Residue "l TYR 285": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l GLU 335": "OE1" <-> "OE2" Residue "l ARG 369": "NH1" <-> "NH2" Residue "l GLU 376": "OE1" <-> "OE2" Residue "l TYR 387": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m ASP 215": "OD1" <-> "OD2" Residue "m TYR 246": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m GLU 252": "OE1" <-> "OE2" Residue "m TYR 285": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m ASP 333": "OD1" <-> "OD2" Residue "m PHE 357": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m GLU 360": "OE1" <-> "OE2" Residue "m TYR 378": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m PHE 388": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n GLU 180": "OE1" <-> "OE2" Residue "n TYR 195": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n GLU 201": "OE1" <-> "OE2" Residue "n ASP 203": "OD1" <-> "OD2" Residue "n TYR 285": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n ASP 287": "OD1" <-> "OD2" Residue "n ASP 295": "OD1" <-> "OD2" Residue "n ASP 332": "OD1" <-> "OD2" Residue "n GLU 335": "OE1" <-> "OE2" Residue "n ASP 344": "OD1" <-> "OD2" Residue "n GLU 360": "OE1" <-> "OE2" Residue "n ASP 363": "OD1" <-> "OD2" Residue "n PHE 371": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n TYR 378": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n PHE 388": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o ASP 28": "OD1" <-> "OD2" Residue "o TYR 56": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o TYR 75": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o ASP 92": "OD1" <-> "OD2" Residue "o ARG 104": "NH1" <-> "NH2" Residue "o GLU 121": "OE1" <-> "OE2" Residue "o TYR 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o ASP 177": "OD1" <-> "OD2" Residue "o ASP 179": "OD1" <-> "OD2" Residue "p ASP 20": "OD1" <-> "OD2" Residue "p GLU 34": "OE1" <-> "OE2" Residue "p GLU 62": "OE1" <-> "OE2" Residue "p ASP 64": "OD1" <-> "OD2" Residue "p GLU 110": "OE1" <-> "OE2" Residue "p GLU 121": "OE1" <-> "OE2" Residue "p TYR 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p ASP 133": "OD1" <-> "OD2" Residue "p TYR 154": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p ASP 166": "OD1" <-> "OD2" Residue "q ASP 22": "OD1" <-> "OD2" Residue "q GLU 30": "OE1" <-> "OE2" Residue "q ASP 50": "OD1" <-> "OD2" Residue "q TYR 56": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q ASP 64": "OD1" <-> "OD2" Residue "q TYR 75": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q GLU 110": "OE1" <-> "OE2" Residue "q GLU 121": "OE1" <-> "OE2" Residue "q TYR 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q ASP 133": "OD1" <-> "OD2" Residue "q ASP 135": "OD1" <-> "OD2" Residue "q GLU 155": "OE1" <-> "OE2" Residue "q ASP 166": "OD1" <-> "OD2" Residue "r ASP 20": "OD1" <-> "OD2" Residue "r ASP 22": "OD1" <-> "OD2" Residue "r ASP 28": "OD1" <-> "OD2" Residue "r TYR 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r ASP 135": "OD1" <-> "OD2" Residue "r ARG 141": "NH1" <-> "NH2" Residue "r ASP 181": "OD1" <-> "OD2" Residue "r ASP 192": "OD1" <-> "OD2" Residue "s GLU 30": "OE1" <-> "OE2" Residue "s TYR 56": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s ARG 104": "NH1" <-> "NH2" Residue "s TYR 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s ASP 133": "OD1" <-> "OD2" Residue "s ASP 135": "OD1" <-> "OD2" Residue "s ARG 141": "NH1" <-> "NH2" Residue "s GLU 155": "OE1" <-> "OE2" Residue "s ASP 166": "OD1" <-> "OD2" Residue "s ASP 181": "OD1" <-> "OD2" Residue "s ASP 192": "OD1" <-> "OD2" Residue "t ASP 28": "OD1" <-> "OD2" Residue "t TYR 56": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t ASP 92": "OD1" <-> "OD2" Residue "t GLU 114": "OE1" <-> "OE2" Residue "t GLU 121": "OE1" <-> "OE2" Residue "t TYR 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t ASP 135": "OD1" <-> "OD2" Residue "t ARG 141": "NH1" <-> "NH2" Residue "t TYR 154": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t ASP 181": "OD1" <-> "OD2" Residue "u ASP 20": "OD1" <-> "OD2" Residue "u ASP 28": "OD1" <-> "OD2" Residue "u GLU 30": "OE1" <-> "OE2" Residue "u GLU 62": "OE1" <-> "OE2" Residue "u GLU 110": "OE1" <-> "OE2" Residue "u TYR 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u ASP 133": "OD1" <-> "OD2" Residue "u ARG 141": "NH1" <-> "NH2" Residue "u TYR 154": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u GLU 155": "OE1" <-> "OE2" Residue "u ASP 177": "OD1" <-> "OD2" Residue "v GLU 30": "OE1" <-> "OE2" Residue "v GLU 45": "OE1" <-> "OE2" Residue "v ASP 50": "OD1" <-> "OD2" Residue "v TYR 56": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v GLU 62": "OE1" <-> "OE2" Residue "v ASP 64": "OD1" <-> "OD2" Residue "v ASP 92": "OD1" <-> "OD2" Residue "v TYR 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v ASP 133": "OD1" <-> "OD2" Residue "v ASP 135": "OD1" <-> "OD2" Residue "v GLU 138": "OE1" <-> "OE2" Residue "v TYR 154": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v ASP 166": "OD1" <-> "OD2" Residue "v ASP 192": "OD1" <-> "OD2" Residue "w ASP 50": "OD1" <-> "OD2" Residue "w ASP 92": "OD1" <-> "OD2" Residue "w TYR 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w ARG 141": "NH1" <-> "NH2" Residue "w ASP 166": "OD1" <-> "OD2" Residue "w ASP 179": "OD1" <-> "OD2" Residue "x ASP 20": "OD1" <-> "OD2" Residue "x ASP 22": "OD1" <-> "OD2" Residue "x TYR 56": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x GLU 110": "OE1" <-> "OE2" Residue "x GLU 114": "OE1" <-> "OE2" Residue "x GLU 121": "OE1" <-> "OE2" Residue "x TYR 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x ASP 166": "OD1" <-> "OD2" Residue "x ASP 177": "OD1" <-> "OD2" Residue "x ASP 181": "OD1" <-> "OD2" Residue "y ASP 28": "OD1" <-> "OD2" Residue "y GLU 34": "OE1" <-> "OE2" Residue "y TYR 56": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y GLU 62": "OE1" <-> "OE2" Residue "y ASP 64": "OD1" <-> "OD2" Residue "y GLU 84": "OE1" <-> "OE2" Residue "y GLU 121": "OE1" <-> "OE2" Residue "y TYR 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y GLU 138": "OE1" <-> "OE2" Residue "y TYR 154": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y ASP 192": "OD1" <-> "OD2" Residue "z ASP 20": "OD1" <-> "OD2" Residue "z GLU 30": "OE1" <-> "OE2" Residue "z GLU 45": "OE1" <-> "OE2" Residue "z TYR 56": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z ASP 92": "OD1" <-> "OD2" Residue "z TYR 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z TYR 154": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z ASP 192": "OD1" <-> "OD2" Residue "AJ ASP 28": "OD1" <-> "OD2" Residue "AJ GLU 30": "OE1" <-> "OE2" Residue "AJ GLU 34": "OE1" <-> "OE2" Residue "AJ ASP 64": "OD1" <-> "OD2" Residue "AJ GLU 84": "OE1" <-> "OE2" Residue "AJ ARG 104": "NH1" <-> "NH2" Residue "AJ TYR 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AJ ASP 135": "OD1" <-> "OD2" Residue "AJ ARG 141": "NH1" <-> "NH2" Residue "AJ TYR 154": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AJ GLU 155": "OE1" <-> "OE2" Residue "AJ ASP 177": "OD1" <-> "OD2" Residue "AK ASP 28": "OD1" <-> "OD2" Residue "AK TYR 56": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AK TYR 132": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AK ARG 141": "NH1" <-> "NH2" Residue "AK TYR 154": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AK ASP 166": "OD1" <-> "OD2" Residue "AK ASP 177": "OD1" <-> "OD2" Residue "AK ASP 181": "OD1" <-> "OD2" Residue "0 TYR 72": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 ASP 93": "OD1" <-> "OD2" Residue "0 GLU 94": "OE1" <-> "OE2" Residue "0 ASP 97": "OD1" <-> "OD2" Residue "0 TYR 106": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 ARG 109": "NH1" <-> "NH2" Residue "0 GLU 110": "OE1" <-> "OE2" Residue "0 GLU 116": "OE1" <-> "OE2" Residue "0 PHE 144": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 TYR 164": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ASP 4": "OD1" <-> "OD2" Residue "1 PHE 30": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ASP 70": "OD1" <-> "OD2" Residue "1 PHE 75": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ASP 77": "OD1" <-> "OD2" Residue "1 ASP 84": "OD1" <-> "OD2" Residue "1 ASP 97": "OD1" <-> "OD2" Residue "1 ASP 108": "OD1" <-> "OD2" Residue "1 ARG 109": "NH1" <-> "NH2" Residue "1 GLU 154": "OE1" <-> "OE2" Residue "1 TYR 166": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 PHE 202": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ASP 206": "OD1" <-> "OD2" Residue "1 TYR 219": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ASP 221": "OD1" <-> "OD2" Residue "2 PHE 19": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 PHE 75": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 GLU 76": "OE1" <-> "OE2" Residue "2 GLU 94": "OE1" <-> "OE2" Residue "2 PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 75": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ASP 84": "OD1" <-> "OD2" Residue "3 ASP 93": "OD1" <-> "OD2" Residue "3 TYR 99": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ARG 109": "NH1" <-> "NH2" Residue "3 PHE 114": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 TYR 166": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ASP 206": "OD1" <-> "OD2" Residue "4 PHE 75": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 ASP 84": "OD1" <-> "OD2" Residue "4 GLU 94": "OE1" <-> "OE2" Residue "4 TYR 124": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 GLU 137": "OE1" <-> "OE2" Residue "4 GLU 154": "OE1" <-> "OE2" Residue "4 ASP 173": "OD1" <-> "OD2" Residue "5 PHE 29": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 32": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 128": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 ASP 148": "OD1" <-> "OD2" Residue "5 ASP 158": "OD1" <-> "OD2" Residue "5 GLU 196": "OE1" <-> "OE2" Residue "5 ARG 204": "NH1" <-> "NH2" Residue "5 PHE 231": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 PHE 6": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 TYR 13": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 PHE 80": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 ASP 3": "OD1" <-> "OD2" Residue "7 GLU 44": "OE1" <-> "OE2" Residue "7 PHE 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 GLU 69": "OE1" <-> "OE2" Residue "7 ARG 76": "NH1" <-> "NH2" Residue "7 PHE 80": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 GLU 69": "OE1" <-> "OE2" Residue "8 ARG 76": "NH1" <-> "NH2" Residue "9 GLU 69": "OE1" <-> "OE2" Residue "9 ARG 76": "NH1" <-> "NH2" Residue "9 PHE 80": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AM TYR 80": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AM ARG 89": "NH1" <-> "NH2" Residue "AN ASP 63": "OD1" <-> "OD2" Residue "AN GLU 72": "OE1" <-> "OE2" Residue "AN TYR 80": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AN GLU 96": "OE1" <-> "OE2" Residue "AO ASP 25": "OD1" <-> "OD2" Residue "AO PHE 37": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AO ARG 54": "NH1" <-> "NH2" Residue "AO ASP 57": "OD1" <-> "OD2" Residue "AO GLU 66": "OE1" <-> "OE2" Residue "AO ASP 76": "OD1" <-> "OD2" Residue "AO TYR 80": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AO GLU 96": "OE1" <-> "OE2" Residue "AP ASP 30": "OD1" <-> "OD2" Residue "AP ARG 54": "NH1" <-> "NH2" Residue "AP ASP 57": "OD1" <-> "OD2" Residue "AP ASP 63": "OD1" <-> "OD2" Residue "AP GLU 72": "OE1" <-> "OE2" Residue "AP TYR 80": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AQ ASP 25": "OD1" <-> "OD2" Residue "AQ ASP 30": "OD1" <-> "OD2" Residue "AQ ASP 31": "OD1" <-> "OD2" Residue "AQ ARG 32": "NH1" <-> "NH2" Residue "AQ ASP 47": "OD1" <-> "OD2" Residue "AQ ARG 54": "NH1" <-> "NH2" Residue "AQ ASP 57": "OD1" <-> "OD2" Residue "AQ GLU 66": "OE1" <-> "OE2" Residue "AQ GLU 72": "OE1" <-> "OE2" Residue "AQ ASP 76": "OD1" <-> "OD2" Residue "AQ TYR 80": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AR ASP 25": "OD1" <-> "OD2" Residue "AR ASP 31": "OD1" <-> "OD2" Residue "AR ARG 54": "NH1" <-> "NH2" Residue "AR ASP 57": "OD1" <-> "OD2" Residue "AR GLU 72": "OE1" <-> "OE2" Residue "AR TYR 80": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AS GLU 29": "OE1" <-> "OE2" Residue "AT GLU 29": "OE1" <-> "OE2" Residue "AU GLU 29": "OE1" <-> "OE2" Residue "AU ASP 32": "OD1" <-> "OD2" Residue "AV GLU 53": "OE1" <-> "OE2" Residue "AV ASP 70": "OD1" <-> "OD2" Residue "AW ASP 72": "OD1" <-> "OD2" Residue "AX ASP 17": "OD1" <-> "OD2" Residue "AX GLU 29": "OE1" <-> "OE2" Residue "AX TYR 47": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AX GLU 53": "OE1" <-> "OE2" Residue "AX ASP 70": "OD1" <-> "OD2" Residue "AX ASP 72": "OD1" <-> "OD2" Residue "AX PHE 79": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "AY ASP 17": "OD1" <-> "OD2" Residue "AY ASP 21": "OD1" <-> "OD2" Residue "AY ASP 40": "OD1" <-> "OD2" Residue "AY GLU 53": "OE1" <-> "OE2" Residue "AY ASP 72": "OD1" <-> "OD2" Residue "AZ ASP 17": "OD1" <-> "OD2" Residue "BA ASP 11": "OD1" <-> "OD2" Residue "BA PHE 16": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BA PHE 68": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BB ASP 10": "OD1" <-> "OD2" Residue "BB PHE 16": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BB ASP 17": "OD1" <-> "OD2" Residue "BC TYR 8": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BC ASP 10": "OD1" <-> "OD2" Residue "BC ASP 17": "OD1" <-> "OD2" Residue "BC GLU 53": "OE1" <-> "OE2" Residue "BC ASP 72": "OD1" <-> "OD2" Residue "BD ASP 10": "OD1" <-> "OD2" Residue "BD ASP 11": "OD1" <-> "OD2" Residue "BD GLU 53": "OE1" <-> "OE2" Residue "BE ASP 10": "OD1" <-> "OD2" Residue "BE PHE 16": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "BE ASP 17": "OD1" <-> "OD2" Time to flip residues: 0.31s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-4938/modules/chem_data/mon_lib" Total number of atoms: 118198 Number of models: 1 Model: "" Number of chains: 93 Chain: "AA" Number of atoms: 1431 Number of conformers: 1 Conformer: "" Number of residues, atoms: 184, 1431 Classifications: {'peptide': 184} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PCIS': 1, 'PTRANS': 11, 'TRANS': 171} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 6 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "AB" Number of atoms: 1431 Number of conformers: 1 Conformer: "" Number of residues, atoms: 184, 1431 Classifications: {'peptide': 184} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PCIS': 1, 'PTRANS': 11, 'TRANS': 171} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 6 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "AC" Number of atoms: 1431 Number of conformers: 1 Conformer: "" Number of residues, atoms: 184, 1431 Classifications: {'peptide': 184} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PCIS': 1, 'PTRANS': 11, 'TRANS': 171} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 6 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "AD" Number of atoms: 1431 Number of conformers: 1 Conformer: "" Number of residues, atoms: 184, 1431 Classifications: {'peptide': 184} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PCIS': 1, 'PTRANS': 11, 'TRANS': 171} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 6 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "AE" Number of atoms: 1431 Number of conformers: 1 Conformer: "" Number of residues, atoms: 184, 1431 Classifications: {'peptide': 184} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PCIS': 1, 'PTRANS': 11, 'TRANS': 171} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 6 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "AF" Number of atoms: 1431 Number of conformers: 1 Conformer: "" Number of residues, atoms: 184, 1431 Classifications: {'peptide': 184} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PCIS': 1, 'PTRANS': 11, 'TRANS': 171} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 6 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "AG" Number of atoms: 1431 Number of conformers: 1 Conformer: "" Number of residues, atoms: 184, 1431 Classifications: {'peptide': 184} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PCIS': 1, 'PTRANS': 11, 'TRANS': 171} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 6 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "AH" Number of atoms: 1431 Number of conformers: 1 Conformer: "" Number of residues, atoms: 184, 1431 Classifications: {'peptide': 184} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PCIS': 1, 'PTRANS': 11, 'TRANS': 171} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 6 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "AI" Number of atoms: 1431 Number of conformers: 1 Conformer: "" Number of residues, atoms: 184, 1431 Classifications: {'peptide': 184} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PCIS': 1, 'PTRANS': 11, 'TRANS': 171} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 6 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "A" Number of atoms: 1108 Number of conformers: 1 Conformer: "" Number of residues, atoms: 139, 1108 Classifications: {'peptide': 139} Link IDs: {'PTRANS': 5, 'TRANS': 133} Chain: "B" Number of atoms: 1154 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 144, 1146 Classifications: {'peptide': 144} Link IDs: {'PTRANS': 6, 'TRANS': 137} Conformer: "B" Number of residues, atoms: 144, 1146 Classifications: {'peptide': 144} Link IDs: {'PTRANS': 6, 'TRANS': 137} bond proxies already assigned to first conformer: 1161 Chain: "C" Number of atoms: 1108 Number of conformers: 1 Conformer: "" Number of residues, atoms: 139, 1108 Classifications: {'peptide': 139} Link IDs: {'PTRANS': 5, 'TRANS': 133} Chain: "D" Number of atoms: 1146 Number of conformers: 1 Conformer: "" Number of residues, atoms: 144, 1146 Classifications: {'peptide': 144} Link IDs: {'PTRANS': 6, 'TRANS': 137} Chain: "E" Number of atoms: 1836 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1836 Classifications: {'peptide': 222} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 9, 'TRANS': 212} Chain: "F" Number of atoms: 1108 Number of conformers: 1 Conformer: "" Number of residues, atoms: 139, 1108 Classifications: {'peptide': 139} Link IDs: {'PTRANS': 5, 'TRANS': 133} Chain: "G" Number of atoms: 1154 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 144, 1146 Classifications: {'peptide': 144} Link IDs: {'PTRANS': 6, 'TRANS': 137} Conformer: "B" Number of residues, atoms: 144, 1146 Classifications: {'peptide': 144} Link IDs: {'PTRANS': 6, 'TRANS': 137} bond proxies already assigned to first conformer: 1161 Chain: "H" Number of atoms: 1108 Number of conformers: 1 Conformer: "" Number of residues, atoms: 139, 1108 Classifications: {'peptide': 139} Link IDs: {'PTRANS': 5, 'TRANS': 133} Chain: "I" Number of atoms: 1154 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 144, 1146 Classifications: {'peptide': 144} Link IDs: {'PTRANS': 6, 'TRANS': 137} Conformer: "B" Number of residues, atoms: 144, 1146 Classifications: {'peptide': 144} Link IDs: {'PTRANS': 6, 'TRANS': 137} bond proxies already assigned to first conformer: 1161 Chain: "J" Number of atoms: 1108 Number of conformers: 1 Conformer: "" Number of residues, atoms: 139, 1108 Classifications: {'peptide': 139} Link IDs: {'PTRANS': 5, 'TRANS': 133} Chain: "K" Number of atoms: 1154 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 144, 1146 Classifications: {'peptide': 144} Link IDs: {'PTRANS': 6, 'TRANS': 137} Conformer: "B" Number of residues, atoms: 144, 1146 Classifications: {'peptide': 144} Link IDs: {'PTRANS': 6, 'TRANS': 137} bond proxies already assigned to first conformer: 1161 Chain: "L" Number of atoms: 1108 Number of conformers: 1 Conformer: "" Number of residues, atoms: 139, 1108 Classifications: {'peptide': 139} Link IDs: {'PTRANS': 5, 'TRANS': 133} Chain: "M" Number of atoms: 1146 Number of conformers: 1 Conformer: "" Number of residues, atoms: 144, 1146 Classifications: {'peptide': 144} Link IDs: {'PTRANS': 6, 'TRANS': 137} Chain: "N" Number of atoms: 1108 Number of conformers: 1 Conformer: "" Number of residues, atoms: 139, 1108 Classifications: {'peptide': 139} Link IDs: {'PTRANS': 5, 'TRANS': 133} Chain: "O" Number of atoms: 1154 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 144, 1146 Classifications: {'peptide': 144} Link IDs: {'PTRANS': 6, 'TRANS': 137} Conformer: "B" Number of residues, atoms: 144, 1146 Classifications: {'peptide': 144} Link IDs: {'PTRANS': 6, 'TRANS': 137} bond proxies already assigned to first conformer: 1161 Chain: "P" Number of atoms: 1108 Number of conformers: 1 Conformer: "" Number of residues, atoms: 139, 1108 Classifications: {'peptide': 139} Link IDs: {'PTRANS': 5, 'TRANS': 133} Chain: "Q" Number of atoms: 1154 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 144, 1146 Classifications: {'peptide': 144} Link IDs: {'PTRANS': 6, 'TRANS': 137} Conformer: "B" Number of residues, atoms: 144, 1146 Classifications: {'peptide': 144} Link IDs: {'PTRANS': 6, 'TRANS': 137} bond proxies already assigned to first conformer: 1161 Chain: "R" Number of atoms: 1827 Number of conformers: 1 Conformer: "" Number of residues, atoms: 221, 1827 Classifications: {'peptide': 221} Link IDs: {'PTRANS': 9, 'TRANS': 211} Chain: "S" Number of atoms: 1831 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1831 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 9, 'TRANS': 212} Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 5 Unresolved non-hydrogen dihedrals: 3 Unresolved non-hydrogen chiralities: 1 Chain: "T" Number of atoms: 1836 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1836 Classifications: {'peptide': 222} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 9, 'TRANS': 212} Chain: "U" Number of atoms: 1827 Number of conformers: 1 Conformer: "" Number of residues, atoms: 221, 1827 Classifications: {'peptide': 221} Link IDs: {'PTRANS': 9, 'TRANS': 211} Chain: "V" Number of atoms: 1831 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1831 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 9, 'TRANS': 212} Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 5 Unresolved non-hydrogen dihedrals: 3 Unresolved non-hydrogen chiralities: 1 Chain: "W" Number of atoms: 1836 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1836 Classifications: {'peptide': 222} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 9, 'TRANS': 212} Chain: "X" Number of atoms: 1827 Number of conformers: 1 Conformer: "" Number of residues, atoms: 221, 1827 Classifications: {'peptide': 221} Link IDs: {'PTRANS': 9, 'TRANS': 211} Chain: "Y" Number of atoms: 1831 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1831 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 9, 'TRANS': 212} Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 5 Unresolved non-hydrogen dihedrals: 3 Unresolved non-hydrogen chiralities: 1 Chain: "Z" Number of atoms: 1836 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1836 Classifications: {'peptide': 222} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 9, 'TRANS': 212} Chain: "AL" Number of atoms: 1431 Number of conformers: 1 Conformer: "" Number of residues, atoms: 184, 1431 Classifications: {'peptide': 184} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PCIS': 1, 'PTRANS': 11, 'TRANS': 171} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 6 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "a" Number of atoms: 1827 Number of conformers: 1 Conformer: "" Number of residues, atoms: 221, 1827 Classifications: {'peptide': 221} Link IDs: {'PTRANS': 9, 'TRANS': 211} Chain: "b" Number of atoms: 1831 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1831 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 9, 'TRANS': 212} Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 5 Unresolved non-hydrogen dihedrals: 3 Unresolved non-hydrogen chiralities: 1 Chain: "c" Number of atoms: 1836 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1836 Classifications: {'peptide': 222} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 9, 'TRANS': 212} Chain: "d" Number of atoms: 1827 Number of conformers: 1 Conformer: "" Number of residues, atoms: 221, 1827 Classifications: {'peptide': 221} Link IDs: {'PTRANS': 9, 'TRANS': 211} Chain: "e" Number of atoms: 1831 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1831 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 9, 'TRANS': 212} Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 5 Unresolved non-hydrogen dihedrals: 3 Unresolved non-hydrogen chiralities: 1 Chain: "f" Number of atoms: 1836 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1836 Classifications: {'peptide': 222} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 9, 'TRANS': 212} Chain: "g" Number of atoms: 1827 Number of conformers: 1 Conformer: "" Number of residues, atoms: 221, 1827 Classifications: {'peptide': 221} Link IDs: {'PTRANS': 9, 'TRANS': 211} Chain: "h" Number of atoms: 1831 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1831 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 9, 'TRANS': 212} Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 5 Unresolved non-hydrogen dihedrals: 3 Unresolved non-hydrogen chiralities: 1 Chain: "i" Number of atoms: 1836 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1836 Classifications: {'peptide': 222} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 9, 'TRANS': 212} Chain: "j" Number of atoms: 1827 Number of conformers: 1 Conformer: "" Number of residues, atoms: 221, 1827 Classifications: {'peptide': 221} Link IDs: {'PTRANS': 9, 'TRANS': 211} Chain: "k" Number of atoms: 1831 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1831 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 9, 'TRANS': 212} Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 5 Unresolved non-hydrogen dihedrals: 3 Unresolved non-hydrogen chiralities: 1 Chain: "l" Number of atoms: 1836 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1836 Classifications: {'peptide': 222} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 9, 'TRANS': 212} Chain: "m" Number of atoms: 1827 Number of conformers: 1 Conformer: "" Number of residues, atoms: 221, 1827 Classifications: {'peptide': 221} Link IDs: {'PTRANS': 9, 'TRANS': 211} Chain: "n" Number of atoms: 1831 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1831 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 9, 'TRANS': 212} Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 5 Unresolved non-hydrogen dihedrals: 3 Unresolved non-hydrogen chiralities: 1 Chain: "o" Number of atoms: 1431 Number of conformers: 1 Conformer: "" Number of residues, atoms: 184, 1431 Classifications: {'peptide': 184} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PCIS': 1, 'PTRANS': 11, 'TRANS': 171} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 6 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "p" Number of atoms: 1431 Number of conformers: 1 Conformer: "" Number of residues, atoms: 184, 1431 Classifications: {'peptide': 184} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PCIS': 1, 'PTRANS': 11, 'TRANS': 171} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 6 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "q" Number of atoms: 1431 Number of conformers: 1 Conformer: "" Number of residues, atoms: 184, 1431 Classifications: {'peptide': 184} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PCIS': 1, 'PTRANS': 11, 'TRANS': 171} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 6 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "r" Number of atoms: 1431 Number of conformers: 1 Conformer: "" Number of residues, atoms: 184, 1431 Classifications: {'peptide': 184} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PCIS': 1, 'PTRANS': 11, 'TRANS': 171} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 6 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "s" Number of atoms: 1431 Number of conformers: 1 Conformer: "" Number of residues, atoms: 184, 1431 Classifications: {'peptide': 184} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PCIS': 1, 'PTRANS': 11, 'TRANS': 171} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 6 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "t" Number of atoms: 1431 Number of conformers: 1 Conformer: "" Number of residues, atoms: 184, 1431 Classifications: {'peptide': 184} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PCIS': 1, 'PTRANS': 11, 'TRANS': 171} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 6 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "u" Number of atoms: 1431 Number of conformers: 1 Conformer: "" Number of residues, atoms: 184, 1431 Classifications: {'peptide': 184} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PCIS': 1, 'PTRANS': 11, 'TRANS': 171} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 6 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "v" Number of atoms: 1431 Number of conformers: 1 Conformer: "" Number of residues, atoms: 184, 1431 Classifications: {'peptide': 184} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PCIS': 1, 'PTRANS': 11, 'TRANS': 171} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 6 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "w" Number of atoms: 1431 Number of conformers: 1 Conformer: "" Number of residues, atoms: 184, 1431 Classifications: {'peptide': 184} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PCIS': 1, 'PTRANS': 11, 'TRANS': 171} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 6 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "x" Number of atoms: 1431 Number of conformers: 1 Conformer: "" Number of residues, atoms: 184, 1431 Classifications: {'peptide': 184} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PCIS': 1, 'PTRANS': 11, 'TRANS': 171} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 6 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "y" Number of atoms: 1431 Number of conformers: 1 Conformer: "" Number of residues, atoms: 184, 1431 Classifications: {'peptide': 184} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PCIS': 1, 'PTRANS': 11, 'TRANS': 171} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 6 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "z" Number of atoms: 1431 Number of conformers: 1 Conformer: "" Number of residues, atoms: 184, 1431 Classifications: {'peptide': 184} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PCIS': 1, 'PTRANS': 11, 'TRANS': 171} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 6 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "AJ" Number of atoms: 1431 Number of conformers: 1 Conformer: "" Number of residues, atoms: 184, 1431 Classifications: {'peptide': 184} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PCIS': 1, 'PTRANS': 11, 'TRANS': 171} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 6 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "AK" Number of atoms: 1431 Number of conformers: 1 Conformer: "" Number of residues, atoms: 184, 1431 Classifications: {'peptide': 184} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PCIS': 1, 'PTRANS': 11, 'TRANS': 171} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 6 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "0" Number of atoms: 1562 Number of conformers: 1 Conformer: "" Number of residues, atoms: 199, 1562 Classifications: {'peptide': 199} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PCIS': 1, 'PTRANS': 7, 'TRANS': 190} Chain breaks: 1 Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 2 Unresolved non-hydrogen chiralities: 1 Chain: "1" Number of atoms: 1569 Number of conformers: 1 Conformer: "" Number of residues, atoms: 199, 1569 Classifications: {'peptide': 199} Link IDs: {'PCIS': 1, 'PTRANS': 7, 'TRANS': 190} Chain breaks: 1 Chain: "2" Number of atoms: 1553 Number of conformers: 1 Conformer: "" Number of residues, atoms: 197, 1553 Classifications: {'peptide': 197} Link IDs: {'PTRANS': 8, 'TRANS': 188} Chain breaks: 1 Chain: "3" Number of atoms: 1606 Number of conformers: 1 Conformer: "" Number of residues, atoms: 204, 1606 Classifications: {'peptide': 204} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PCIS': 1, 'PTRANS': 7, 'TRANS': 195} Chain breaks: 1 Unresolved non-hydrogen bonds: 6 Unresolved non-hydrogen angles: 8 Unresolved non-hydrogen dihedrals: 4 Planarities with less than four sites: {'ASP:plan': 2} Unresolved non-hydrogen planarities: 6 Chain: "4" Number of atoms: 1758 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 221, 1752 Classifications: {'peptide': 221} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PCIS': 1, 'PTRANS': 7, 'TRANS': 212} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 2 Planarities with less than four sites: {'ASP:plan': 1} Unresolved non-hydrogen planarities: 3 Conformer: "B" Number of residues, atoms: 221, 1752 Classifications: {'peptide': 221} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PCIS': 1, 'PTRANS': 7, 'TRANS': 212} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 2 Planarities with less than four sites: {'ASP:plan': 1} Unresolved non-hydrogen planarities: 3 bond proxies already assigned to first conformer: 1783 Chain: "5" Number of atoms: 1885 Number of conformers: 1 Conformer: "" Number of residues, atoms: 247, 1885 Classifications: {'peptide': 247} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 16, 'TRANS': 230} Chain breaks: 1 Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 5 Unresolved non-hydrogen dihedrals: 3 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "6" Number of atoms: 405 Number of conformers: 1 Conformer: "" Number of residues, atoms: 53, 405 Classifications: {'peptide': 53} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 1, 'TRANS': 51} Chain breaks: 1 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 8 Unresolved non-hydrogen dihedrals: 6 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "7" Number of atoms: 644 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 644 Classifications: {'peptide': 84} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 2, 'TRANS': 81} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 3 Chain: "8" Number of atoms: 644 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 644 Classifications: {'peptide': 84} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 2, 'TRANS': 81} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 3 Chain: "9" Number of atoms: 647 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 647 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 2, 'TRANS': 81} Chain: "AM" Number of atoms: 298 Number of conformers: 1 Conformer: "" Number of residues, atoms: 39, 298 Classifications: {'peptide': 39} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 1, 'TRANS': 37} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 2 Planarities with less than four sites: {'ASP:plan': 1} Unresolved non-hydrogen planarities: 3 Chain: "AN" Number of atoms: 644 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 78, 592 Classifications: {'peptide': 78} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 2, 'TRANS': 75} Chain breaks: 1 Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 2 Unresolved non-hydrogen chiralities: 1 Conformer: "B" Number of residues, atoms: 78, 592 Classifications: {'peptide': 78} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 2, 'TRANS': 75} Chain breaks: 1 Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 2 Unresolved non-hydrogen chiralities: 1 bond proxies already assigned to first conformer: 544 Chain: "AO" Number of atoms: 667 Number of conformers: 1 Conformer: "" Number of residues, atoms: 88, 667 Classifications: {'peptide': 88} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 2, 'TRANS': 85} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 2 Unresolved non-hydrogen chiralities: 1 Chain: "AP" Number of atoms: 675 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 675 Classifications: {'peptide': 89} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 2, 'TRANS': 86} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 2 Unresolved non-hydrogen chiralities: 1 Chain: "AQ" Number of atoms: 675 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 675 Classifications: {'peptide': 89} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 2, 'TRANS': 86} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 2 Unresolved non-hydrogen chiralities: 1 Chain: "AR" Number of atoms: 667 Number of conformers: 1 Conformer: "" Number of residues, atoms: 88, 667 Classifications: {'peptide': 88} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 2, 'TRANS': 85} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 2 Unresolved non-hydrogen chiralities: 1 Chain: "AS" Number of atoms: 466 Number of conformers: 1 Conformer: "" Number of residues, atoms: 59, 466 Classifications: {'peptide': 59} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 2, 'TRANS': 56} Chain: "AT" Number of atoms: 466 Number of conformers: 1 Conformer: "" Number of residues, atoms: 59, 466 Classifications: {'peptide': 59} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 2, 'TRANS': 56} Chain: "AU" Number of atoms: 466 Number of conformers: 1 Conformer: "" Number of residues, atoms: 59, 466 Classifications: {'peptide': 59} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 2, 'TRANS': 56} Chain: "AV" Number of atoms: 466 Number of conformers: 1 Conformer: "" Number of residues, atoms: 59, 466 Classifications: {'peptide': 59} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 2, 'TRANS': 56} Chain: "AW" Number of atoms: 466 Number of conformers: 1 Conformer: "" Number of residues, atoms: 59, 466 Classifications: {'peptide': 59} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 2, 'TRANS': 56} Chain: "AX" Number of atoms: 574 Number of conformers: 1 Conformer: "" Number of residues, atoms: 73, 574 Classifications: {'peptide': 73} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 2, 'TRANS': 70} Chain: "AY" Number of atoms: 612 Number of conformers: 1 Conformer: "" Number of residues, atoms: 78, 612 Classifications: {'peptide': 78} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 3, 'TRANS': 74} Chain: "AZ" Number of atoms: 460 Number of conformers: 1 Conformer: "" Number of residues, atoms: 57, 460 Classifications: {'peptide': 57} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 1, 'TRANS': 55} Chain breaks: 1 Chain: "BA" Number of atoms: 437 Number of conformers: 1 Conformer: "" Number of residues, atoms: 54, 437 Classifications: {'peptide': 54} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 1, 'TRANS': 52} Chain breaks: 1 Chain: "BB" Number of atoms: 388 Number of conformers: 1 Conformer: "" Number of residues, atoms: 48, 388 Classifications: {'peptide': 48} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 1, 'TRANS': 46} Chain breaks: 1 Chain: "BC" Number of atoms: 388 Number of conformers: 1 Conformer: "" Number of residues, atoms: 48, 388 Classifications: {'peptide': 48} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 1, 'TRANS': 46} Chain breaks: 1 Chain: "BD" Number of atoms: 388 Number of conformers: 1 Conformer: "" Number of residues, atoms: 48, 388 Classifications: {'peptide': 48} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 1, 'TRANS': 46} Chain breaks: 1 Chain: "BE" Number of atoms: 346 Number of conformers: 1 Conformer: "" Number of residues, atoms: 43, 346 Classifications: {'peptide': 43} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 1, 'TRANS': 41} Chain breaks: 1 Residues with excluded nonbonded symmetry interactions: 7 residue: pdb=" N AGLYAN 14 " occ=0.50 ... (6 atoms not shown) pdb=" O BGLYAN 14 " occ=0.50 residue: pdb=" N AGLNAN 15 " occ=0.50 ... (16 atoms not shown) pdb=" NE2BGLNAN 15 " occ=0.50 residue: pdb=" N AALAAN 16 " occ=0.50 ... (8 atoms not shown) pdb=" CB BALAAN 16 " occ=0.50 residue: pdb=" N AVALAN 17 " occ=0.50 ... (12 atoms not shown) pdb=" CG2BVALAN 17 " occ=0.50 residue: pdb=" N AASNAN 18 " occ=0.50 ... (14 atoms not shown) pdb=" ND2BASNAN 18 " occ=0.50 residue: pdb=" N AILEAN 19 " occ=0.50 ... (14 atoms not shown) pdb=" CD1BILEAN 19 " occ=0.50 residue: pdb=" N AARGAN 20 " occ=0.50 ... (20 atoms not shown) pdb=" NH2BARGAN 20 " occ=0.50 Time building chain proxies: 46.94, per 1000 atoms: 0.40 Number of scatterers: 118198 At special positions: 0 Unit cell: (263.34, 232.56, 213.75, 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 380 16.00 O 22039 8.00 N 20374 7.00 C 75405 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=1, symmetry=0 Simple disulfide: pdb=" SG CYS 5 157 " - pdb=" SG CYS 5 163 " distance=2.04 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: 32.51 Conformation dependent library (CDL) restraints added in 14.0 seconds 29174 Ramachandran restraints generated. 14587 Oldfield, 0 Emsley, 14587 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 27998 Finding SS restraints... Secondary structure from input PDB file: 548 helices and 168 sheets defined 45.7% alpha, 15.1% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 4.54 Creating SS restraints... Processing helix chain 'AA' and resid 28 through 40 removed outlier: 3.533A pdb=" N ASNAA 33 " --> pdb=" O GLNAA 29 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N GLUAA 34 " --> pdb=" O GLUAA 30 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N ALAAA 37 " --> pdb=" O ASNAA 33 " (cutoff:3.500A) Processing helix chain 'AA' and resid 41 through 43 No H-bonds generated for 'chain 'AA' and resid 41 through 43' Processing helix chain 'AA' and resid 52 through 54 No H-bonds generated for 'chain 'AA' and resid 52 through 54' Processing helix chain 'AA' and resid 64 through 76 removed outlier: 3.657A pdb=" N TYRAA 70 " --> pdb=" O THRAA 66 " (cutoff:3.500A) Processing helix chain 'AA' and resid 84 through 88 Processing helix chain 'AA' and resid 98 through 118 removed outlier: 3.834A pdb=" N ARGAA 104 " --> pdb=" O ALAAA 100 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ALAAA 108 " --> pdb=" O ARGAA 104 " (cutoff:3.500A) removed outlier: 3.906A pdb=" N GLNAA 111 " --> pdb=" O SERAA 107 " (cutoff:3.500A) removed outlier: 3.709A pdb=" N GLUAA 114 " --> pdb=" O GLUAA 110 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N GLNAA 118 " --> pdb=" O GLUAA 114 " (cutoff:3.500A) Processing helix chain 'AA' and resid 134 through 138 removed outlier: 3.752A pdb=" N GLYAA 137 " --> pdb=" O ILEAA 134 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N GLUAA 138 " --> pdb=" O ASPAA 135 " (cutoff:3.500A) No H-bonds generated for 'chain 'AA' and resid 134 through 138' Processing helix chain 'AA' and resid 163 through 173 removed outlier: 4.090A pdb=" N ILEAA 167 " --> pdb=" O GLNAA 163 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N LYSAA 168 " --> pdb=" O ILEAA 164 " (cutoff:3.500A) removed outlier: 4.574A pdb=" N ASNAA 173 " --> pdb=" O ARGAA 169 " (cutoff:3.500A) Processing helix chain 'AB' and resid 28 through 40 removed outlier: 3.563A pdb=" N VALAB 35 " --> pdb=" O GLNAB 31 " (cutoff:3.500A) Processing helix chain 'AB' and resid 41 through 43 No H-bonds generated for 'chain 'AB' and resid 41 through 43' Processing helix chain 'AB' and resid 52 through 54 No H-bonds generated for 'chain 'AB' and resid 52 through 54' Processing helix chain 'AB' and resid 64 through 76 Processing helix chain 'AB' and resid 84 through 88 Processing helix chain 'AB' and resid 101 through 118 removed outlier: 3.533A pdb=" N ALAAB 108 " --> pdb=" O ARGAB 104 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N GLUAB 114 " --> pdb=" O GLUAB 110 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLNAB 115 " --> pdb=" O GLNAB 111 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLNAB 118 " --> pdb=" O GLUAB 114 " (cutoff:3.500A) Processing helix chain 'AB' and resid 161 through 163 No H-bonds generated for 'chain 'AB' and resid 161 through 163' Processing helix chain 'AB' and resid 164 through 173 removed outlier: 3.504A pdb=" N LYSAB 168 " --> pdb=" O ILEAB 164 " (cutoff:3.500A) removed outlier: 4.175A pdb=" N ASNAB 173 " --> pdb=" O ARGAB 169 " (cutoff:3.500A) Processing helix chain 'AC' and resid 28 through 40 removed outlier: 3.784A pdb=" N GLUAC 34 " --> pdb=" O GLUAC 30 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N ALAAC 37 " --> pdb=" O ASNAC 33 " (cutoff:3.500A) Processing helix chain 'AC' and resid 41 through 43 No H-bonds generated for 'chain 'AC' and resid 41 through 43' Processing helix chain 'AC' and resid 52 through 54 No H-bonds generated for 'chain 'AC' and resid 52 through 54' Processing helix chain 'AC' and resid 64 through 76 removed outlier: 3.649A pdb=" N TYRAC 70 " --> pdb=" O THRAC 66 " (cutoff:3.500A) Processing helix chain 'AC' and resid 84 through 88 removed outlier: 3.517A pdb=" N GLNAC 87 " --> pdb=" O GLUAC 84 " (cutoff:3.500A) Processing helix chain 'AC' and resid 97 through 118 removed outlier: 3.735A pdb=" N ARGAC 104 " --> pdb=" O ALAAC 100 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ALAAC 108 " --> pdb=" O ARGAC 104 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N GLNAC 111 " --> pdb=" O SERAC 107 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLUAC 114 " --> pdb=" O GLUAC 110 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N GLNAC 118 " --> pdb=" O GLUAC 114 " (cutoff:3.500A) Processing helix chain 'AC' and resid 163 through 173 removed outlier: 3.831A pdb=" N ILEAC 167 " --> pdb=" O GLNAC 163 " (cutoff:3.500A) removed outlier: 3.827A pdb=" N LYSAC 168 " --> pdb=" O ILEAC 164 " (cutoff:3.500A) removed outlier: 4.561A pdb=" N ASNAC 173 " --> pdb=" O ARGAC 169 " (cutoff:3.500A) Processing helix chain 'AD' and resid 28 through 40 removed outlier: 3.610A pdb=" N GLUAD 34 " --> pdb=" O GLUAD 30 " (cutoff:3.500A) removed outlier: 3.795A pdb=" N ALAAD 37 " --> pdb=" O ASNAD 33 " (cutoff:3.500A) Processing helix chain 'AD' and resid 41 through 43 No H-bonds generated for 'chain 'AD' and resid 41 through 43' Processing helix chain 'AD' and resid 52 through 54 No H-bonds generated for 'chain 'AD' and resid 52 through 54' Processing helix chain 'AD' and resid 64 through 76 removed outlier: 3.531A pdb=" N TYRAD 70 " --> pdb=" O THRAD 66 " (cutoff:3.500A) Processing helix chain 'AD' and resid 84 through 88 Processing helix chain 'AD' and resid 97 through 118 removed outlier: 3.560A pdb=" N SERAD 107 " --> pdb=" O ALAAD 103 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N ALAAD 108 " --> pdb=" O ARGAD 104 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLNAD 111 " --> pdb=" O SERAD 107 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N GLUAD 114 " --> pdb=" O GLUAD 110 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N GLNAD 118 " --> pdb=" O GLUAD 114 " (cutoff:3.500A) Processing helix chain 'AD' and resid 163 through 171 removed outlier: 4.240A pdb=" N ILEAD 167 " --> pdb=" O GLNAD 163 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ARGAD 169 " --> pdb=" O SERAD 165 " (cutoff:3.500A) Processing helix chain 'AD' and resid 179 through 181 No H-bonds generated for 'chain 'AD' and resid 179 through 181' Processing helix chain 'AE' and resid 28 through 40 removed outlier: 3.758A pdb=" N GLUAE 34 " --> pdb=" O GLUAE 30 " (cutoff:3.500A) Processing helix chain 'AE' and resid 41 through 43 No H-bonds generated for 'chain 'AE' and resid 41 through 43' Processing helix chain 'AE' and resid 52 through 54 No H-bonds generated for 'chain 'AE' and resid 52 through 54' Processing helix chain 'AE' and resid 64 through 76 removed outlier: 3.722A pdb=" N ALAAE 68 " --> pdb=" O ASPAE 64 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N TYRAE 70 " --> pdb=" O THRAE 66 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N LYSAE 73 " --> pdb=" O VALAE 69 " (cutoff:3.500A) Processing helix chain 'AE' and resid 84 through 88 Processing helix chain 'AE' and resid 97 through 116 removed outlier: 3.792A pdb=" N ALAAE 108 " --> pdb=" O ARGAE 104 " (cutoff:3.500A) removed outlier: 4.006A pdb=" N GLNAE 111 " --> pdb=" O SERAE 107 " (cutoff:3.500A) removed outlier: 4.118A pdb=" N GLUAE 114 " --> pdb=" O GLUAE 110 " (cutoff:3.500A) Processing helix chain 'AE' and resid 134 through 138 removed outlier: 3.982A pdb=" N GLYAE 137 " --> pdb=" O ILEAE 134 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N GLUAE 138 " --> pdb=" O ASPAE 135 " (cutoff:3.500A) No H-bonds generated for 'chain 'AE' and resid 134 through 138' Processing helix chain 'AE' and resid 161 through 165 removed outlier: 3.676A pdb=" N ILEAE 164 " --> pdb=" O ALAAE 161 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N SERAE 165 " --> pdb=" O HISAE 162 " (cutoff:3.500A) No H-bonds generated for 'chain 'AE' and resid 161 through 165' Processing helix chain 'AE' and resid 166 through 173 removed outlier: 4.398A pdb=" N ASNAE 173 " --> pdb=" O ARGAE 169 " (cutoff:3.500A) Processing helix chain 'AF' and resid 28 through 40 removed outlier: 3.520A pdb=" N ASNAF 33 " --> pdb=" O GLNAF 29 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N GLUAF 34 " --> pdb=" O GLUAF 30 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N ALAAF 37 " --> pdb=" O ASNAF 33 " (cutoff:3.500A) Processing helix chain 'AF' and resid 41 through 43 No H-bonds generated for 'chain 'AF' and resid 41 through 43' Processing helix chain 'AF' and resid 52 through 54 No H-bonds generated for 'chain 'AF' and resid 52 through 54' Processing helix chain 'AF' and resid 64 through 76 removed outlier: 3.523A pdb=" N VALAF 69 " --> pdb=" O PHEAF 65 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N TYRAF 70 " --> pdb=" O THRAF 66 " (cutoff:3.500A) Processing helix chain 'AF' and resid 84 through 88 Processing helix chain 'AF' and resid 97 through 118 removed outlier: 3.764A pdb=" N ALAAF 103 " --> pdb=" O ARGAF 99 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N GLUAF 114 " --> pdb=" O GLUAF 110 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLNAF 118 " --> pdb=" O GLUAF 114 " (cutoff:3.500A) Processing helix chain 'AF' and resid 163 through 173 removed outlier: 4.090A pdb=" N ILEAF 167 " --> pdb=" O GLNAF 163 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N LYSAF 168 " --> pdb=" O ILEAF 164 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N ASNAF 173 " --> pdb=" O ARGAF 169 " (cutoff:3.500A) Processing helix chain 'AG' and resid 28 through 40 removed outlier: 3.711A pdb=" N ASNAG 33 " --> pdb=" O GLNAG 29 " (cutoff:3.500A) removed outlier: 4.172A pdb=" N GLUAG 34 " --> pdb=" O GLUAG 30 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VALAG 35 " --> pdb=" O GLNAG 31 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N ALAAG 37 " --> pdb=" O ASNAG 33 " (cutoff:3.500A) Processing helix chain 'AG' and resid 41 through 43 No H-bonds generated for 'chain 'AG' and resid 41 through 43' Processing helix chain 'AG' and resid 64 through 76 removed outlier: 3.619A pdb=" N ALAAG 68 " --> pdb=" O ASPAG 64 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N TYRAG 70 " --> pdb=" O THRAG 66 " (cutoff:3.500A) Processing helix chain 'AG' and resid 84 through 88 Processing helix chain 'AG' and resid 97 through 118 removed outlier: 4.170A pdb=" N LEUAG 105 " --> pdb=" O GLUAG 101 " (cutoff:3.500A) removed outlier: 3.959A pdb=" N TYRAG 106 " --> pdb=" O LYSAG 102 " (cutoff:3.500A) removed outlier: 3.955A pdb=" N SERAG 107 " --> pdb=" O ALAAG 103 " (cutoff:3.500A) removed outlier: 3.760A pdb=" N ALAAG 108 " --> pdb=" O ARGAG 104 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N GLNAG 111 " --> pdb=" O SERAG 107 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N GLNAG 118 " --> pdb=" O GLUAG 114 " (cutoff:3.500A) Processing helix chain 'AG' and resid 163 through 171 removed outlier: 3.761A pdb=" N ILEAG 167 " --> pdb=" O GLNAG 163 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N ARGAG 169 " --> pdb=" O SERAG 165 " (cutoff:3.500A) Processing helix chain 'AH' and resid 28 through 40 removed outlier: 3.662A pdb=" N ASNAH 33 " --> pdb=" O GLNAH 29 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N GLUAH 34 " --> pdb=" O GLUAH 30 " (cutoff:3.500A) removed outlier: 3.976A pdb=" N ALAAH 37 " --> pdb=" O ASNAH 33 " (cutoff:3.500A) Processing helix chain 'AH' and resid 41 through 43 No H-bonds generated for 'chain 'AH' and resid 41 through 43' Processing helix chain 'AH' and resid 52 through 54 No H-bonds generated for 'chain 'AH' and resid 52 through 54' Processing helix chain 'AH' and resid 64 through 76 removed outlier: 3.593A pdb=" N ALAAH 68 " --> pdb=" O ASPAH 64 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N TYRAH 70 " --> pdb=" O THRAH 66 " (cutoff:3.500A) Processing helix chain 'AH' and resid 84 through 88 Processing helix chain 'AH' and resid 98 through 118 removed outlier: 4.264A pdb=" N ARGAH 104 " --> pdb=" O ALAAH 100 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ALAAH 108 " --> pdb=" O ARGAH 104 " (cutoff:3.500A) removed outlier: 4.058A pdb=" N GLNAH 111 " --> pdb=" O SERAH 107 " (cutoff:3.500A) removed outlier: 3.827A pdb=" N GLUAH 114 " --> pdb=" O GLUAH 110 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLNAH 118 " --> pdb=" O GLUAH 114 " (cutoff:3.500A) Processing helix chain 'AH' and resid 134 through 139 removed outlier: 4.109A pdb=" N GLUAH 138 " --> pdb=" O ILEAH 134 " (cutoff:3.500A) Processing helix chain 'AH' and resid 163 through 173 removed outlier: 3.653A pdb=" N ARGAH 169 " --> pdb=" O SERAH 165 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N ASNAH 173 " --> pdb=" O ARGAH 169 " (cutoff:3.500A) Processing helix chain 'AI' and resid 28 through 40 removed outlier: 3.650A pdb=" N ASNAI 33 " --> pdb=" O GLNAI 29 " (cutoff:3.500A) removed outlier: 3.892A pdb=" N GLUAI 34 " --> pdb=" O GLUAI 30 " (cutoff:3.500A) Processing helix chain 'AI' and resid 41 through 43 No H-bonds generated for 'chain 'AI' and resid 41 through 43' Processing helix chain 'AI' and resid 52 through 54 No H-bonds generated for 'chain 'AI' and resid 52 through 54' Processing helix chain 'AI' and resid 64 through 76 removed outlier: 3.673A pdb=" N VALAI 69 " --> pdb=" O PHEAI 65 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N TYRAI 70 " --> pdb=" O THRAI 66 " (cutoff:3.500A) Processing helix chain 'AI' and resid 84 through 89 removed outlier: 4.119A pdb=" N METAI 88 " --> pdb=" O GLUAI 84 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N PHEAI 89 " --> pdb=" O ILEAI 85 " (cutoff:3.500A) No H-bonds generated for 'chain 'AI' and resid 84 through 89' Processing helix chain 'AI' and resid 98 through 118 removed outlier: 3.713A pdb=" N LYSAI 102 " --> pdb=" O PROAI 98 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ALAAI 103 " --> pdb=" O ARGAI 99 " (cutoff:3.500A) removed outlier: 4.278A pdb=" N ARGAI 104 " --> pdb=" O ALAAI 100 " (cutoff:3.500A) removed outlier: 3.674A pdb=" N ALAAI 108 " --> pdb=" O ARGAI 104 " (cutoff:3.500A) removed outlier: 4.103A pdb=" N GLUAI 114 " --> pdb=" O GLUAI 110 " (cutoff:3.500A) removed outlier: 3.882A pdb=" N GLNAI 115 " --> pdb=" O GLNAI 111 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N GLNAI 118 " --> pdb=" O GLUAI 114 " (cutoff:3.500A) Processing helix chain 'AI' and resid 163 through 173 removed outlier: 3.731A pdb=" N ILEAI 167 " --> pdb=" O GLNAI 163 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N LYSAI 168 " --> pdb=" O ILEAI 164 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N ARGAI 169 " --> pdb=" O SERAI 165 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ASNAI 173 " --> pdb=" O ARGAI 169 " (cutoff:3.500A) Processing helix chain 'A' and resid 61 through 65 removed outlier: 3.733A pdb=" N ARG A 65 " --> pdb=" O MET A 62 " (cutoff:3.500A) Processing helix chain 'A' and resid 76 through 88 removed outlier: 3.860A pdb=" N GLU A 82 " --> pdb=" O ASN A 78 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N LYS A 83 " --> pdb=" O ALA A 79 " (cutoff:3.500A) removed outlier: 3.701A pdb=" N LEU A 86 " --> pdb=" O GLU A 82 " (cutoff:3.500A) Processing helix chain 'A' and resid 105 through 107 No H-bonds generated for 'chain 'A' and resid 105 through 107' Processing helix chain 'A' and resid 118 through 130 removed outlier: 3.649A pdb=" N PHE A 122 " --> pdb=" O SER A 118 " (cutoff:3.500A) Processing helix chain 'A' and resid 152 through 165 removed outlier: 3.711A pdb=" N ASP A 157 " --> pdb=" O PRO A 153 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N MET A 158 " --> pdb=" O VAL A 154 " (cutoff:3.500A) removed outlier: 3.760A pdb=" N ASN A 161 " --> pdb=" O ASP A 157 " (cutoff:3.500A) Processing helix chain 'A' and resid 166 through 170 Processing helix chain 'B' and resid 61 through 65 removed outlier: 3.619A pdb=" N ARG B 65 " --> pdb=" O MET B 62 " (cutoff:3.500A) Processing helix chain 'B' and resid 76 through 89 removed outlier: 3.770A pdb=" N LEU B 80 " --> pdb=" O ASP B 76 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N GLU B 82 " --> pdb=" O ASN B 78 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N LEU B 86 " --> pdb=" O GLU B 82 " (cutoff:3.500A) Processing helix chain 'B' and resid 105 through 107 No H-bonds generated for 'chain 'B' and resid 105 through 107' Processing helix chain 'B' and resid 118 through 130 removed outlier: 4.001A pdb=" N ASN B 124 " --> pdb=" O ASN B 120 " (cutoff:3.500A) Processing helix chain 'B' and resid 152 through 167 removed outlier: 3.514A pdb=" N ASP B 157 " --> pdb=" O PRO B 153 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N MET B 158 " --> pdb=" O VAL B 154 " (cutoff:3.500A) removed outlier: 3.943A pdb=" N ASN B 161 " --> pdb=" O ASP B 157 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N MET B 165 " --> pdb=" O ASN B 161 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ASP B 167 " --> pdb=" O ALA B 163 " (cutoff:3.500A) Processing helix chain 'C' and resid 43 through 49 removed outlier: 3.565A pdb=" N ASP C 47 " --> pdb=" O ARG C 43 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N ALA C 48 " --> pdb=" O THR C 44 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N MET C 49 " --> pdb=" O PHE C 45 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 43 through 49' Processing helix chain 'C' and resid 76 through 89 removed outlier: 3.810A pdb=" N GLU C 82 " --> pdb=" O ASN C 78 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N LEU C 86 " --> pdb=" O GLU C 82 " (cutoff:3.500A) Processing helix chain 'C' and resid 103 through 107 removed outlier: 3.723A pdb=" N MET C 107 " --> pdb=" O ALA C 104 " (cutoff:3.500A) Processing helix chain 'C' and resid 118 through 129 removed outlier: 3.895A pdb=" N PHE C 122 " --> pdb=" O SER C 118 " (cutoff:3.500A) Processing helix chain 'C' and resid 152 through 168 removed outlier: 3.677A pdb=" N ASP C 157 " --> pdb=" O PRO C 153 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N MET C 158 " --> pdb=" O VAL C 154 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ASN C 161 " --> pdb=" O ASP C 157 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N MET C 166 " --> pdb=" O ALA C 162 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ASP C 167 " --> pdb=" O ALA C 163 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N LYS C 168 " --> pdb=" O THR C 164 " (cutoff:3.500A) Processing helix chain 'D' and resid 61 through 65 removed outlier: 3.665A pdb=" N ALA D 64 " --> pdb=" O LYS D 61 " (cutoff:3.500A) removed outlier: 3.796A pdb=" N ARG D 65 " --> pdb=" O MET D 62 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 61 through 65' Processing helix chain 'D' and resid 76 through 88 removed outlier: 3.895A pdb=" N GLU D 82 " --> pdb=" O ASN D 78 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N LYS D 83 " --> pdb=" O ALA D 79 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N LEU D 86 " --> pdb=" O GLU D 82 " (cutoff:3.500A) Processing helix chain 'D' and resid 105 through 107 No H-bonds generated for 'chain 'D' and resid 105 through 107' Processing helix chain 'D' and resid 118 through 130 Processing helix chain 'D' and resid 152 through 164 removed outlier: 3.901A pdb=" N ASP D 157 " --> pdb=" O PRO D 153 " (cutoff:3.500A) removed outlier: 3.905A pdb=" N MET D 158 " --> pdb=" O VAL D 154 " (cutoff:3.500A) Processing helix chain 'E' and resid 172 through 177 removed outlier: 3.719A pdb=" N LEU E 176 " --> pdb=" O GLU E 172 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N LEU E 177 " --> pdb=" O LEU E 173 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 172 through 177' Processing helix chain 'E' and resid 200 through 214 removed outlier: 3.936A pdb=" N VAL E 210 " --> pdb=" O TRP E 206 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N LEU E 211 " --> pdb=" O ALA E 207 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N GLY E 214 " --> pdb=" O VAL E 210 " (cutoff:3.500A) Processing helix chain 'E' and resid 224 through 240 removed outlier: 3.622A pdb=" N ASN E 229 " --> pdb=" O GLU E 225 " (cutoff:3.500A) removed outlier: 3.908A pdb=" N LYS E 230 " --> pdb=" O ASN E 226 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N THR E 238 " --> pdb=" O ILE E 234 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N TYR E 239 " --> pdb=" O TRP E 235 " (cutoff:3.500A) Processing helix chain 'E' and resid 268 through 283 removed outlier: 3.525A pdb=" N VAL E 274 " --> pdb=" O LYS E 270 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N ALA E 281 " --> pdb=" O GLN E 277 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N LEU E 282 " --> pdb=" O LYS E 278 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N MET E 283 " --> pdb=" O LEU E 279 " (cutoff:3.500A) Processing helix chain 'E' and resid 295 through 310 removed outlier: 3.891A pdb=" N ALA E 299 " --> pdb=" O ASP E 295 " (cutoff:3.500A) removed outlier: 3.945A pdb=" N ALA E 300 " --> pdb=" O ASP E 296 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N ALA E 303 " --> pdb=" O ALA E 299 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N GLN E 309 " --> pdb=" O ALA E 305 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N GLN E 310 " --> pdb=" O GLY E 306 " (cutoff:3.500A) Processing helix chain 'E' and resid 332 through 348 removed outlier: 3.818A pdb=" N ARG E 348 " --> pdb=" O ASP E 344 " (cutoff:3.500A) Processing helix chain 'F' and resid 76 through 89 removed outlier: 3.571A pdb=" N GLU F 82 " --> pdb=" O ASN F 78 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N LEU F 86 " --> pdb=" O GLU F 82 " (cutoff:3.500A) Processing helix chain 'F' and resid 105 through 107 No H-bonds generated for 'chain 'F' and resid 105 through 107' Processing helix chain 'F' and resid 118 through 130 Processing helix chain 'F' and resid 152 through 168 removed outlier: 3.537A pdb=" N MET F 158 " --> pdb=" O VAL F 154 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N ASN F 161 " --> pdb=" O ASP F 157 " (cutoff:3.500A) removed outlier: 3.803A pdb=" N MET F 166 " --> pdb=" O ALA F 162 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N LYS F 168 " --> pdb=" O THR F 164 " (cutoff:3.500A) Processing helix chain 'G' and resid 61 through 65 removed outlier: 3.936A pdb=" N ARG G 65 " --> pdb=" O MET G 62 " (cutoff:3.500A) Processing helix chain 'G' and resid 76 through 88 removed outlier: 3.659A pdb=" N LEU G 80 " --> pdb=" O ASP G 76 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N GLU G 82 " --> pdb=" O ASN G 78 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N LEU G 86 " --> pdb=" O GLU G 82 " (cutoff:3.500A) Processing helix chain 'G' and resid 103 through 107 removed outlier: 3.754A pdb=" N MET G 107 " --> pdb=" O ALA G 104 " (cutoff:3.500A) Processing helix chain 'G' and resid 119 through 129 removed outlier: 4.133A pdb=" N PHE G 125 " --> pdb=" O GLU G 121 " (cutoff:3.500A) Processing helix chain 'G' and resid 152 through 168 removed outlier: 3.504A pdb=" N MET G 158 " --> pdb=" O VAL G 154 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N ASN G 161 " --> pdb=" O ASP G 157 " (cutoff:3.500A) removed outlier: 4.040A pdb=" N MET G 166 " --> pdb=" O ALA G 162 " (cutoff:3.500A) removed outlier: 3.735A pdb=" N ASP G 167 " --> pdb=" O ALA G 163 " (cutoff:3.500A) Processing helix chain 'H' and resid 47 through 51 removed outlier: 4.062A pdb=" N LEU H 51 " --> pdb=" O ALA H 48 " (cutoff:3.500A) Processing helix chain 'H' and resid 61 through 65 removed outlier: 3.518A pdb=" N ALA H 64 " --> pdb=" O LYS H 61 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N ARG H 65 " --> pdb=" O MET H 62 " (cutoff:3.500A) No H-bonds generated for 'chain 'H' and resid 61 through 65' Processing helix chain 'H' and resid 76 through 88 removed outlier: 3.856A pdb=" N GLU H 82 " --> pdb=" O ASN H 78 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LYS H 83 " --> pdb=" O ALA H 79 " (cutoff:3.500A) Processing helix chain 'H' and resid 105 through 107 No H-bonds generated for 'chain 'H' and resid 105 through 107' Processing helix chain 'H' and resid 118 through 130 removed outlier: 3.662A pdb=" N PHE H 122 " --> pdb=" O SER H 118 " (cutoff:3.500A) Processing helix chain 'H' and resid 152 through 168 removed outlier: 3.708A pdb=" N ASP H 157 " --> pdb=" O PRO H 153 " (cutoff:3.500A) removed outlier: 4.128A pdb=" N MET H 158 " --> pdb=" O VAL H 154 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ASN H 161 " --> pdb=" O ASP H 157 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N MET H 166 " --> pdb=" O ALA H 162 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N ASP H 167 " --> pdb=" O ALA H 163 " (cutoff:3.500A) removed outlier: 4.176A pdb=" N LYS H 168 " --> pdb=" O THR H 164 " (cutoff:3.500A) Processing helix chain 'I' and resid 43 through 49 removed outlier: 3.612A pdb=" N ALA I 48 " --> pdb=" O THR I 44 " (cutoff:3.500A) Processing helix chain 'I' and resid 61 through 65 removed outlier: 3.901A pdb=" N ARG I 65 " --> pdb=" O MET I 62 " (cutoff:3.500A) Processing helix chain 'I' and resid 76 through 88 removed outlier: 3.932A pdb=" N GLU I 82 " --> pdb=" O ASN I 78 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N LYS I 83 " --> pdb=" O ALA I 79 " (cutoff:3.500A) Processing helix chain 'I' and resid 105 through 107 No H-bonds generated for 'chain 'I' and resid 105 through 107' Processing helix chain 'I' and resid 118 through 130 removed outlier: 3.714A pdb=" N ASN I 124 " --> pdb=" O ASN I 120 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N PHE I 125 " --> pdb=" O GLU I 121 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N LEU I 126 " --> pdb=" O PHE I 122 " (cutoff:3.500A) Processing helix chain 'I' and resid 152 through 165 removed outlier: 3.613A pdb=" N MET I 158 " --> pdb=" O VAL I 154 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N ASN I 161 " --> pdb=" O ASP I 157 " (cutoff:3.500A) Processing helix chain 'J' and resid 43 through 49 removed outlier: 3.625A pdb=" N ALA J 48 " --> pdb=" O THR J 44 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N MET J 49 " --> pdb=" O PHE J 45 " (cutoff:3.500A) Processing helix chain 'J' and resid 76 through 88 removed outlier: 3.537A pdb=" N LEU J 80 " --> pdb=" O ASP J 76 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N GLU J 82 " --> pdb=" O ASN J 78 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N LEU J 86 " --> pdb=" O GLU J 82 " (cutoff:3.500A) Processing helix chain 'J' and resid 105 through 107 No H-bonds generated for 'chain 'J' and resid 105 through 107' Processing helix chain 'J' and resid 118 through 130 removed outlier: 3.524A pdb=" N LYS J 127 " --> pdb=" O ASN J 123 " (cutoff:3.500A) Processing helix chain 'J' and resid 155 through 168 removed outlier: 4.014A pdb=" N ASN J 161 " --> pdb=" O ASP J 157 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N ASP J 167 " --> pdb=" O ALA J 163 " (cutoff:3.500A) removed outlier: 4.052A pdb=" N LYS J 168 " --> pdb=" O THR J 164 " (cutoff:3.500A) Processing helix chain 'K' and resid 61 through 66 removed outlier: 3.937A pdb=" N ARG K 65 " --> pdb=" O MET K 62 " (cutoff:3.500A) removed outlier: 4.072A pdb=" N LYS K 66 " --> pdb=" O ALA K 63 " (cutoff:3.500A) Processing helix chain 'K' and resid 76 through 88 removed outlier: 3.645A pdb=" N GLU K 82 " --> pdb=" O ASN K 78 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N LYS K 83 " --> pdb=" O ALA K 79 " (cutoff:3.500A) Processing helix chain 'K' and resid 103 through 107 removed outlier: 3.778A pdb=" N MET K 107 " --> pdb=" O ALA K 104 " (cutoff:3.500A) Processing helix chain 'K' and resid 118 through 130 removed outlier: 3.616A pdb=" N PHE K 122 " --> pdb=" O SER K 118 " (cutoff:3.500A) Processing helix chain 'K' and resid 152 through 168 removed outlier: 3.848A pdb=" N ASN K 161 " --> pdb=" O ASP K 157 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N MET K 166 " --> pdb=" O ALA K 162 " (cutoff:3.500A) Processing helix chain 'L' and resid 47 through 51 removed outlier: 4.100A pdb=" N LEU L 51 " --> pdb=" O ALA L 48 " (cutoff:3.500A) Processing helix chain 'L' and resid 61 through 65 removed outlier: 3.761A pdb=" N ARG L 65 " --> pdb=" O MET L 62 " (cutoff:3.500A) Processing helix chain 'L' and resid 76 through 89 removed outlier: 3.929A pdb=" N LEU L 86 " --> pdb=" O GLU L 82 " (cutoff:3.500A) Processing helix chain 'L' and resid 105 through 107 No H-bonds generated for 'chain 'L' and resid 105 through 107' Processing helix chain 'L' and resid 118 through 130 removed outlier: 3.528A pdb=" N ASN L 124 " --> pdb=" O ASN L 120 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N PHE L 125 " --> pdb=" O GLU L 121 " (cutoff:3.500A) Processing helix chain 'L' and resid 152 through 169 removed outlier: 3.601A pdb=" N MET L 158 " --> pdb=" O VAL L 154 " (cutoff:3.500A) removed outlier: 3.904A pdb=" N ASN L 161 " --> pdb=" O ASP L 157 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N ASP L 167 " --> pdb=" O ALA L 163 " (cutoff:3.500A) Processing helix chain 'M' and resid 61 through 65 removed outlier: 3.828A pdb=" N ARG M 65 " --> pdb=" O MET M 62 " (cutoff:3.500A) Processing helix chain 'M' and resid 76 through 89 removed outlier: 3.515A pdb=" N GLU M 82 " --> pdb=" O ASN M 78 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N LEU M 86 " --> pdb=" O GLU M 82 " (cutoff:3.500A) Processing helix chain 'M' and resid 105 through 107 No H-bonds generated for 'chain 'M' and resid 105 through 107' Processing helix chain 'M' and resid 118 through 129 removed outlier: 3.544A pdb=" N ASN M 124 " --> pdb=" O ASN M 120 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N PHE M 125 " --> pdb=" O GLU M 121 " (cutoff:3.500A) Processing helix chain 'M' and resid 152 through 164 removed outlier: 3.825A pdb=" N ASP M 157 " --> pdb=" O PRO M 153 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N MET M 158 " --> pdb=" O VAL M 154 " (cutoff:3.500A) Processing helix chain 'N' and resid 47 through 51 removed outlier: 4.156A pdb=" N LEU N 51 " --> pdb=" O ALA N 48 " (cutoff:3.500A) Processing helix chain 'N' and resid 61 through 65 removed outlier: 3.995A pdb=" N ARG N 65 " --> pdb=" O MET N 62 " (cutoff:3.500A) Processing helix chain 'N' and resid 76 through 89 Processing helix chain 'N' and resid 105 through 107 No H-bonds generated for 'chain 'N' and resid 105 through 107' Processing helix chain 'N' and resid 118 through 130 Processing helix chain 'N' and resid 152 through 167 removed outlier: 3.682A pdb=" N ASP N 157 " --> pdb=" O PRO N 153 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N MET N 158 " --> pdb=" O VAL N 154 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N MET N 165 " --> pdb=" O ASN N 161 " (cutoff:3.500A) Processing helix chain 'O' and resid 43 through 49 Processing helix chain 'O' and resid 76 through 89 removed outlier: 3.838A pdb=" N GLU O 82 " --> pdb=" O ASN O 78 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N LEU O 86 " --> pdb=" O GLU O 82 " (cutoff:3.500A) Processing helix chain 'O' and resid 105 through 107 No H-bonds generated for 'chain 'O' and resid 105 through 107' Processing helix chain 'O' and resid 118 through 130 removed outlier: 3.622A pdb=" N ASN O 124 " --> pdb=" O ASN O 120 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N PHE O 125 " --> pdb=" O GLU O 121 " (cutoff:3.500A) Processing helix chain 'O' and resid 152 through 162 removed outlier: 3.635A pdb=" N MET O 158 " --> pdb=" O VAL O 154 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N ASN O 161 " --> pdb=" O ASP O 157 " (cutoff:3.500A) Processing helix chain 'P' and resid 43 through 49 removed outlier: 3.557A pdb=" N MET P 49 " --> pdb=" O PHE P 45 " (cutoff:3.500A) Processing helix chain 'P' and resid 61 through 65 removed outlier: 3.813A pdb=" N ARG P 65 " --> pdb=" O MET P 62 " (cutoff:3.500A) Processing helix chain 'P' and resid 76 through 88 removed outlier: 3.832A pdb=" N LEU P 86 " --> pdb=" O GLU P 82 " (cutoff:3.500A) Processing helix chain 'P' and resid 105 through 107 No H-bonds generated for 'chain 'P' and resid 105 through 107' Processing helix chain 'P' and resid 118 through 129 removed outlier: 3.505A pdb=" N PHE P 125 " --> pdb=" O GLU P 121 " (cutoff:3.500A) Processing helix chain 'P' and resid 152 through 168 removed outlier: 3.644A pdb=" N ASP P 157 " --> pdb=" O PRO P 153 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N MET P 158 " --> pdb=" O VAL P 154 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N MET P 165 " --> pdb=" O ASN P 161 " (cutoff:3.500A) removed outlier: 4.113A pdb=" N MET P 166 " --> pdb=" O ALA P 162 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N ASP P 167 " --> pdb=" O ALA P 163 " (cutoff:3.500A) removed outlier: 3.944A pdb=" N LYS P 168 " --> pdb=" O THR P 164 " (cutoff:3.500A) Processing helix chain 'Q' and resid 43 through 49 removed outlier: 3.620A pdb=" N ALA Q 48 " --> pdb=" O THR Q 44 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N MET Q 49 " --> pdb=" O PHE Q 45 " (cutoff:3.500A) Processing helix chain 'Q' and resid 61 through 65 removed outlier: 3.661A pdb=" N ALA Q 64 " --> pdb=" O LYS Q 61 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N ARG Q 65 " --> pdb=" O MET Q 62 " (cutoff:3.500A) No H-bonds generated for 'chain 'Q' and resid 61 through 65' Processing helix chain 'Q' and resid 76 through 89 removed outlier: 3.832A pdb=" N GLU Q 82 " --> pdb=" O ASN Q 78 " (cutoff:3.500A) Processing helix chain 'Q' and resid 105 through 107 No H-bonds generated for 'chain 'Q' and resid 105 through 107' Processing helix chain 'Q' and resid 118 through 130 Processing helix chain 'Q' and resid 152 through 168 removed outlier: 3.626A pdb=" N ASP Q 157 " --> pdb=" O PRO Q 153 " (cutoff:3.500A) removed outlier: 3.656A pdb=" N ASN Q 161 " --> pdb=" O ASP Q 157 " (cutoff:3.500A) Processing helix chain 'R' and resid 172 through 177 removed outlier: 3.694A pdb=" N LEU R 176 " --> pdb=" O GLU R 172 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N LEU R 177 " --> pdb=" O LEU R 173 " (cutoff:3.500A) No H-bonds generated for 'chain 'R' and resid 172 through 177' Processing helix chain 'R' and resid 200 through 214 removed outlier: 3.901A pdb=" N LEU R 205 " --> pdb=" O GLU R 201 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N TRP R 206 " --> pdb=" O ARG R 202 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N ALA R 207 " --> pdb=" O ASP R 203 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N VAL R 210 " --> pdb=" O TRP R 206 " (cutoff:3.500A) Processing helix chain 'R' and resid 225 through 235 removed outlier: 3.535A pdb=" N ILE R 232 " --> pdb=" O GLU R 228 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N SER R 233 " --> pdb=" O ASN R 229 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N ILE R 234 " --> pdb=" O LYS R 230 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N TRP R 235 " --> pdb=" O ARG R 231 " (cutoff:3.500A) Processing helix chain 'R' and resid 235 through 240 removed outlier: 3.598A pdb=" N TYR R 239 " --> pdb=" O TRP R 235 " (cutoff:3.500A) Processing helix chain 'R' and resid 268 through 279 removed outlier: 3.640A pdb=" N LEU R 272 " --> pdb=" O SER R 268 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N GLU R 273 " --> pdb=" O LYS R 269 " (cutoff:3.500A) Processing helix chain 'R' and resid 296 through 310 removed outlier: 4.073A pdb=" N ALA R 300 " --> pdb=" O ASP R 296 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ALA R 303 " --> pdb=" O ALA R 299 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N LEU R 307 " --> pdb=" O ALA R 303 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N GLN R 309 " --> pdb=" O ALA R 305 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N GLN R 310 " --> pdb=" O GLY R 306 " (cutoff:3.500A) Processing helix chain 'R' and resid 332 through 350 removed outlier: 3.659A pdb=" N ILE R 336 " --> pdb=" O ASP R 332 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N LEU R 337 " --> pdb=" O ASP R 333 " (cutoff:3.500A) removed outlier: 3.558A pdb=" N GLN R 341 " --> pdb=" O LEU R 337 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N PHE R 342 " --> pdb=" O ARG R 338 " (cutoff:3.500A) removed outlier: 3.930A pdb=" N SER R 345 " --> pdb=" O GLN R 341 " (cutoff:3.500A) removed outlier: 3.964A pdb=" N THR R 349 " --> pdb=" O SER R 345 " (cutoff:3.500A) Processing helix chain 'S' and resid 172 through 177 removed outlier: 3.612A pdb=" N LEU S 176 " --> pdb=" O GLU S 172 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU S 177 " --> pdb=" O LEU S 173 " (cutoff:3.500A) No H-bonds generated for 'chain 'S' and resid 172 through 177' Processing helix chain 'S' and resid 200 through 214 removed outlier: 3.546A pdb=" N TRP S 206 " --> pdb=" O ARG S 202 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N VAL S 210 " --> pdb=" O TRP S 206 " (cutoff:3.500A) Processing helix chain 'S' and resid 225 through 230 Processing helix chain 'S' and resid 234 through 239 removed outlier: 3.652A pdb=" N THR S 238 " --> pdb=" O ILE S 234 " (cutoff:3.500A) Processing helix chain 'S' and resid 268 through 281 Processing helix chain 'S' and resid 297 through 310 removed outlier: 3.890A pdb=" N ALA S 303 " --> pdb=" O ALA S 299 " (cutoff:3.500A) removed outlier: 4.102A pdb=" N GLN S 310 " --> pdb=" O GLY S 306 " (cutoff:3.500A) Processing helix chain 'S' and resid 332 through 351 removed outlier: 3.650A pdb=" N LEU S 337 " --> pdb=" O ASP S 333 " (cutoff:3.500A) removed outlier: 3.916A pdb=" N PHE S 342 " --> pdb=" O ARG S 338 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N SER S 345 " --> pdb=" O GLN S 341 " (cutoff:3.500A) removed outlier: 3.941A pdb=" N ARG S 348 " --> pdb=" O ASP S 344 " (cutoff:3.500A) removed outlier: 4.170A pdb=" N THR S 349 " --> pdb=" O SER S 345 " (cutoff:3.500A) Processing helix chain 'T' and resid 172 through 176 removed outlier: 3.657A pdb=" N SER T 175 " --> pdb=" O GLU T 172 " (cutoff:3.500A) Processing helix chain 'T' and resid 200 through 214 removed outlier: 3.578A pdb=" N ALA T 207 " --> pdb=" O ASP T 203 " (cutoff:3.500A) removed outlier: 4.203A pdb=" N VAL T 210 " --> pdb=" O TRP T 206 " (cutoff:3.500A) removed outlier: 3.581A pdb=" N LEU T 211 " --> pdb=" O ALA T 207 " (cutoff:3.500A) Processing helix chain 'T' and resid 226 through 231 Processing helix chain 'T' and resid 235 through 240 Processing helix chain 'T' and resid 268 through 281 removed outlier: 3.600A pdb=" N GLU T 273 " --> pdb=" O LYS T 269 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ARG T 280 " --> pdb=" O SER T 276 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N ALA T 281 " --> pdb=" O GLN T 277 " (cutoff:3.500A) Processing helix chain 'T' and resid 297 through 310 removed outlier: 3.684A pdb=" N ALA T 303 " --> pdb=" O ALA T 299 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEU T 307 " --> pdb=" O ALA T 303 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N GLN T 309 " --> pdb=" O ALA T 305 " (cutoff:3.500A) removed outlier: 3.966A pdb=" N GLN T 310 " --> pdb=" O GLY T 306 " (cutoff:3.500A) Processing helix chain 'T' and resid 332 through 350 removed outlier: 3.575A pdb=" N PHE T 342 " --> pdb=" O ARG T 338 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N VAL T 343 " --> pdb=" O ALA T 339 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N ASP T 344 " --> pdb=" O ARG T 340 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N SER T 345 " --> pdb=" O GLN T 341 " (cutoff:3.500A) removed outlier: 3.670A pdb=" N ARG T 348 " --> pdb=" O ASP T 344 " (cutoff:3.500A) removed outlier: 4.095A pdb=" N THR T 349 " --> pdb=" O SER T 345 " (cutoff:3.500A) Processing helix chain 'U' and resid 200 through 213 removed outlier: 3.921A pdb=" N VAL U 210 " --> pdb=" O TRP U 206 " (cutoff:3.500A) removed outlier: 3.928A pdb=" N LEU U 211 " --> pdb=" O ALA U 207 " (cutoff:3.500A) Processing helix chain 'U' and resid 226 through 240 removed outlier: 3.913A pdb=" N ILE U 232 " --> pdb=" O GLU U 228 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N SER U 233 " --> pdb=" O ASN U 229 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N ILE U 234 " --> pdb=" O LYS U 230 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N ASP U 237 " --> pdb=" O SER U 233 " (cutoff:3.500A) removed outlier: 4.109A pdb=" N THR U 238 " --> pdb=" O ILE U 234 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N TYR U 239 " --> pdb=" O TRP U 235 " (cutoff:3.500A) Processing helix chain 'U' and resid 268 through 281 removed outlier: 3.566A pdb=" N LEU U 272 " --> pdb=" O SER U 268 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N GLU U 273 " --> pdb=" O LYS U 269 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N ALA U 281 " --> pdb=" O GLN U 277 " (cutoff:3.500A) Processing helix chain 'U' and resid 301 through 309 removed outlier: 3.614A pdb=" N LEU U 307 " --> pdb=" O ALA U 303 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N GLN U 309 " --> pdb=" O ALA U 305 " (cutoff:3.500A) Processing helix chain 'U' and resid 334 through 348 removed outlier: 3.814A pdb=" N ALA U 339 " --> pdb=" O GLU U 335 " (cutoff:3.500A) removed outlier: 4.311A pdb=" N ARG U 340 " --> pdb=" O ILE U 336 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N SER U 345 " --> pdb=" O GLN U 341 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ARG U 348 " --> pdb=" O ASP U 344 " (cutoff:3.500A) Processing helix chain 'V' and resid 172 through 177 removed outlier: 3.606A pdb=" N LEU V 177 " --> pdb=" O LEU V 173 " (cutoff:3.500A) Processing helix chain 'V' and resid 200 through 214 removed outlier: 3.579A pdb=" N GLN V 209 " --> pdb=" O LEU V 205 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N VAL V 210 " --> pdb=" O TRP V 206 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N LEU V 211 " --> pdb=" O ALA V 207 " (cutoff:3.500A) Processing helix chain 'V' and resid 225 through 235 removed outlier: 3.802A pdb=" N ILE V 232 " --> pdb=" O GLU V 228 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N SER V 233 " --> pdb=" O ASN V 229 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N TRP V 235 " --> pdb=" O ARG V 231 " (cutoff:3.500A) Processing helix chain 'V' and resid 236 through 238 No H-bonds generated for 'chain 'V' and resid 236 through 238' Processing helix chain 'V' and resid 269 through 271 No H-bonds generated for 'chain 'V' and resid 269 through 271' Processing helix chain 'V' and resid 272 through 280 Processing helix chain 'V' and resid 296 through 308 removed outlier: 3.574A pdb=" N ALA V 300 " --> pdb=" O ASP V 296 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N GLN V 302 " --> pdb=" O THR V 298 " (cutoff:3.500A) removed outlier: 3.855A pdb=" N ALA V 303 " --> pdb=" O ALA V 299 " (cutoff:3.500A) removed outlier: 3.829A pdb=" N GLU V 304 " --> pdb=" O ALA V 300 " (cutoff:3.500A) Processing helix chain 'V' and resid 332 through 351 removed outlier: 3.716A pdb=" N ILE V 336 " --> pdb=" O ASP V 332 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N LEU V 337 " --> pdb=" O ASP V 333 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N ASP V 344 " --> pdb=" O ARG V 340 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N SER V 345 " --> pdb=" O GLN V 341 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N ARG V 348 " --> pdb=" O ASP V 344 " (cutoff:3.500A) removed outlier: 4.127A pdb=" N THR V 349 " --> pdb=" O SER V 345 " (cutoff:3.500A) Processing helix chain 'W' and resid 172 through 177 Processing helix chain 'W' and resid 200 through 214 removed outlier: 4.192A pdb=" N VAL W 210 " --> pdb=" O TRP W 206 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N LEU W 211 " --> pdb=" O ALA W 207 " (cutoff:3.500A) Processing helix chain 'W' and resid 224 through 240 removed outlier: 3.713A pdb=" N ASN W 229 " --> pdb=" O GLU W 225 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N LYS W 230 " --> pdb=" O ASN W 226 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N SER W 233 " --> pdb=" O ASN W 229 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N ILE W 234 " --> pdb=" O LYS W 230 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N TRP W 235 " --> pdb=" O ARG W 231 " (cutoff:3.500A) removed outlier: 4.118A pdb=" N THR W 238 " --> pdb=" O ILE W 234 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N TYR W 239 " --> pdb=" O TRP W 235 " (cutoff:3.500A) Processing helix chain 'W' and resid 269 through 281 removed outlier: 3.914A pdb=" N LEU W 275 " --> pdb=" O GLU W 271 " (cutoff:3.500A) Processing helix chain 'W' and resid 296 through 309 removed outlier: 3.970A pdb=" N ALA W 300 " --> pdb=" O ASP W 296 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N ALA W 303 " --> pdb=" O ALA W 299 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N LEU W 307 " --> pdb=" O ALA W 303 " (cutoff:3.500A) removed outlier: 3.689A pdb=" N GLN W 309 " --> pdb=" O ALA W 305 " (cutoff:3.500A) Processing helix chain 'W' and resid 332 through 348 removed outlier: 3.587A pdb=" N LEU W 337 " --> pdb=" O ASP W 333 " (cutoff:3.500A) removed outlier: 3.792A pdb=" N SER W 345 " --> pdb=" O GLN W 341 " (cutoff:3.500A) removed outlier: 3.907A pdb=" N ARG W 348 " --> pdb=" O ASP W 344 " (cutoff:3.500A) Processing helix chain 'X' and resid 172 through 177 removed outlier: 3.719A pdb=" N LEU X 176 " --> pdb=" O GLU X 172 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N LEU X 177 " --> pdb=" O LEU X 173 " (cutoff:3.500A) No H-bonds generated for 'chain 'X' and resid 172 through 177' Processing helix chain 'X' and resid 200 through 214 removed outlier: 3.681A pdb=" N GLN X 209 " --> pdb=" O LEU X 205 " (cutoff:3.500A) removed outlier: 4.062A pdb=" N VAL X 210 " --> pdb=" O TRP X 206 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N LEU X 211 " --> pdb=" O ALA X 207 " (cutoff:3.500A) Processing helix chain 'X' and resid 225 through 230 Processing helix chain 'X' and resid 230 through 235 removed outlier: 3.659A pdb=" N ILE X 234 " --> pdb=" O LYS X 230 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N TRP X 235 " --> pdb=" O ARG X 231 " (cutoff:3.500A) No H-bonds generated for 'chain 'X' and resid 230 through 235' Processing helix chain 'X' and resid 236 through 238 No H-bonds generated for 'chain 'X' and resid 236 through 238' Processing helix chain 'X' and resid 268 through 281 removed outlier: 3.651A pdb=" N LEU X 272 " --> pdb=" O SER X 268 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N GLU X 273 " --> pdb=" O LYS X 269 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N ALA X 281 " --> pdb=" O GLN X 277 " (cutoff:3.500A) Processing helix chain 'X' and resid 295 through 310 removed outlier: 3.773A pdb=" N ALA X 299 " --> pdb=" O ASP X 295 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N ALA X 300 " --> pdb=" O ASP X 296 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N ALA X 303 " --> pdb=" O ALA X 299 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N GLN X 310 " --> pdb=" O GLY X 306 " (cutoff:3.500A) Processing helix chain 'X' and resid 334 through 348 removed outlier: 3.603A pdb=" N ARG X 340 " --> pdb=" O ILE X 336 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N SER X 345 " --> pdb=" O GLN X 341 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N ARG X 348 " --> pdb=" O ASP X 344 " (cutoff:3.500A) Processing helix chain 'Y' and resid 172 through 177 removed outlier: 3.624A pdb=" N LEU Y 177 " --> pdb=" O LEU Y 173 " (cutoff:3.500A) Processing helix chain 'Y' and resid 200 through 214 removed outlier: 3.654A pdb=" N LEU Y 205 " --> pdb=" O GLU Y 201 " (cutoff:3.500A) removed outlier: 4.289A pdb=" N VAL Y 210 " --> pdb=" O TRP Y 206 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N LEU Y 211 " --> pdb=" O ALA Y 207 " (cutoff:3.500A) Processing helix chain 'Y' and resid 225 through 240 removed outlier: 3.845A pdb=" N SER Y 233 " --> pdb=" O ASN Y 229 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N ILE Y 234 " --> pdb=" O LYS Y 230 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N TRP Y 235 " --> pdb=" O ARG Y 231 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N THR Y 238 " --> pdb=" O ILE Y 234 " (cutoff:3.500A) Processing helix chain 'Y' and resid 268 through 279 removed outlier: 3.576A pdb=" N LEU Y 272 " --> pdb=" O SER Y 268 " (cutoff:3.500A) removed outlier: 3.580A pdb=" N GLU Y 273 " --> pdb=" O LYS Y 269 " (cutoff:3.500A) Processing helix chain 'Y' and resid 297 through 309 removed outlier: 3.800A pdb=" N ALA Y 303 " --> pdb=" O ALA Y 299 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N GLN Y 309 " --> pdb=" O ALA Y 305 " (cutoff:3.500A) Processing helix chain 'Y' and resid 333 through 342 removed outlier: 3.735A pdb=" N ALA Y 339 " --> pdb=" O GLU Y 335 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N GLN Y 341 " --> pdb=" O LEU Y 337 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N PHE Y 342 " --> pdb=" O ARG Y 338 " (cutoff:3.500A) Processing helix chain 'Y' and resid 342 through 351 removed outlier: 3.733A pdb=" N ARG Y 348 " --> pdb=" O ASP Y 344 " (cutoff:3.500A) removed outlier: 4.410A pdb=" N THR Y 349 " --> pdb=" O SER Y 345 " (cutoff:3.500A) Processing helix chain 'Z' and resid 172 through 177 removed outlier: 4.075A pdb=" N LEU Z 176 " --> pdb=" O GLU Z 172 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N LEU Z 177 " --> pdb=" O LEU Z 173 " (cutoff:3.500A) No H-bonds generated for 'chain 'Z' and resid 172 through 177' Processing helix chain 'Z' and resid 200 through 214 removed outlier: 4.014A pdb=" N VAL Z 210 " --> pdb=" O TRP Z 206 " (cutoff:3.500A) Processing helix chain 'Z' and resid 224 through 235 removed outlier: 4.106A pdb=" N LYS Z 230 " --> pdb=" O ASN Z 226 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N ILE Z 232 " --> pdb=" O GLU Z 228 " (cutoff:3.500A) removed outlier: 3.872A pdb=" N SER Z 233 " --> pdb=" O ASN Z 229 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N TRP Z 235 " --> pdb=" O ARG Z 231 " (cutoff:3.500A) Processing helix chain 'Z' and resid 235 through 240 removed outlier: 3.608A pdb=" N TYR Z 239 " --> pdb=" O TRP Z 235 " (cutoff:3.500A) Processing helix chain 'Z' and resid 269 through 283 removed outlier: 3.670A pdb=" N GLU Z 273 " --> pdb=" O LYS Z 269 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N VAL Z 274 " --> pdb=" O LYS Z 270 " (cutoff:3.500A) removed outlier: 4.075A pdb=" N LEU Z 275 " --> pdb=" O GLU Z 271 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N ALA Z 281 " --> pdb=" O GLN Z 277 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N LEU Z 282 " --> pdb=" O LYS Z 278 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N MET Z 283 " --> pdb=" O LEU Z 279 " (cutoff:3.500A) Processing helix chain 'Z' and resid 297 through 309 removed outlier: 3.914A pdb=" N ALA Z 303 " --> pdb=" O ALA Z 299 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N LEU Z 307 " --> pdb=" O ALA Z 303 " (cutoff:3.500A) Processing helix chain 'Z' and resid 332 through 351 removed outlier: 4.009A pdb=" N ARG Z 348 " --> pdb=" O ASP Z 344 " (cutoff:3.500A) removed outlier: 4.659A pdb=" N THR Z 349 " --> pdb=" O SER Z 345 " (cutoff:3.500A) Processing helix chain 'AL' and resid 28 through 40 removed outlier: 3.847A pdb=" N ASNAL 33 " --> pdb=" O GLNAL 29 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N GLUAL 34 " --> pdb=" O GLUAL 30 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N VALAL 35 " --> pdb=" O GLNAL 31 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N ALAAL 37 " --> pdb=" O ASNAL 33 " (cutoff:3.500A) Processing helix chain 'AL' and resid 41 through 43 No H-bonds generated for 'chain 'AL' and resid 41 through 43' Processing helix chain 'AL' and resid 52 through 54 No H-bonds generated for 'chain 'AL' and resid 52 through 54' Processing helix chain 'AL' and resid 64 through 76 Processing helix chain 'AL' and resid 84 through 88 Processing helix chain 'AL' and resid 97 through 118 removed outlier: 3.597A pdb=" N SERAL 107 " --> pdb=" O ALAAL 103 " (cutoff:3.500A) removed outlier: 3.981A pdb=" N ALAAL 108 " --> pdb=" O ARGAL 104 " (cutoff:3.500A) removed outlier: 3.760A pdb=" N GLNAL 111 " --> pdb=" O SERAL 107 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLUAL 114 " --> pdb=" O GLUAL 110 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N GLNAL 115 " --> pdb=" O GLNAL 111 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N GLNAL 118 " --> pdb=" O GLUAL 114 " (cutoff:3.500A) Processing helix chain 'AL' and resid 163 through 173 removed outlier: 4.515A pdb=" N ASNAL 173 " --> pdb=" O ARGAL 169 " (cutoff:3.500A) Processing helix chain 'a' and resid 172 through 176 removed outlier: 3.532A pdb=" N SER a 175 " --> pdb=" O GLU a 172 " (cutoff:3.500A) Processing helix chain 'a' and resid 200 through 214 removed outlier: 3.694A pdb=" N LEU a 205 " --> pdb=" O GLU a 201 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N TRP a 206 " --> pdb=" O ARG a 202 " (cutoff:3.500A) removed outlier: 3.846A pdb=" N VAL a 210 " --> pdb=" O TRP a 206 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N GLY a 214 " --> pdb=" O VAL a 210 " (cutoff:3.500A) Processing helix chain 'a' and resid 224 through 235 removed outlier: 3.685A pdb=" N GLU a 228 " --> pdb=" O ASN a 224 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N ILE a 232 " --> pdb=" O GLU a 228 " (cutoff:3.500A) removed outlier: 4.305A pdb=" N SER a 233 " --> pdb=" O ASN a 229 " (cutoff:3.500A) Processing helix chain 'a' and resid 235 through 240 removed outlier: 3.577A pdb=" N TYR a 239 " --> pdb=" O TRP a 235 " (cutoff:3.500A) Processing helix chain 'a' and resid 269 through 279 removed outlier: 3.559A pdb=" N GLU a 273 " --> pdb=" O LYS a 269 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N VAL a 274 " --> pdb=" O LYS a 270 " (cutoff:3.500A) removed outlier: 3.872A pdb=" N LEU a 275 " --> pdb=" O GLU a 271 " (cutoff:3.500A) Processing helix chain 'a' and resid 280 through 283 Processing helix chain 'a' and resid 296 through 309 removed outlier: 3.934A pdb=" N ALA a 300 " --> pdb=" O ASP a 296 " (cutoff:3.500A) removed outlier: 3.940A pdb=" N ALA a 303 " --> pdb=" O ALA a 299 " (cutoff:3.500A) Processing helix chain 'a' and resid 334 through 347 removed outlier: 4.261A pdb=" N ARG a 340 " --> pdb=" O ILE a 336 " (cutoff:3.500A) removed outlier: 3.910A pdb=" N SER a 345 " --> pdb=" O GLN a 341 " (cutoff:3.500A) Processing helix chain 'b' and resid 172 through 177 removed outlier: 3.874A pdb=" N LEU b 176 " --> pdb=" O GLU b 172 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N LEU b 177 " --> pdb=" O LEU b 173 " (cutoff:3.500A) No H-bonds generated for 'chain 'b' and resid 172 through 177' Processing helix chain 'b' and resid 200 through 214 removed outlier: 3.884A pdb=" N VAL b 210 " --> pdb=" O TRP b 206 " (cutoff:3.500A) Processing helix chain 'b' and resid 227 through 235 removed outlier: 3.506A pdb=" N ILE b 232 " --> pdb=" O GLU b 228 " (cutoff:3.500A) removed outlier: 4.089A pdb=" N SER b 233 " --> pdb=" O ASN b 229 " (cutoff:3.500A) removed outlier: 4.010A pdb=" N ILE b 234 " --> pdb=" O LYS b 230 " (cutoff:3.500A) removed outlier: 4.041A pdb=" N TRP b 235 " --> pdb=" O ARG b 231 " (cutoff:3.500A) Processing helix chain 'b' and resid 270 through 279 removed outlier: 3.819A pdb=" N VAL b 274 " --> pdb=" O LYS b 270 " (cutoff:3.500A) Processing helix chain 'b' and resid 297 through 310 removed outlier: 3.715A pdb=" N GLN b 302 " --> pdb=" O THR b 298 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N ALA b 303 " --> pdb=" O ALA b 299 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N GLN b 309 " --> pdb=" O ALA b 305 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N GLN b 310 " --> pdb=" O GLY b 306 " (cutoff:3.500A) Processing helix chain 'b' and resid 333 through 351 removed outlier: 3.714A pdb=" N LEU b 337 " --> pdb=" O ASP b 333 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N PHE b 342 " --> pdb=" O ARG b 338 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N VAL b 343 " --> pdb=" O ALA b 339 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N ASP b 344 " --> pdb=" O ARG b 340 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N SER b 345 " --> pdb=" O GLN b 341 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N ARG b 348 " --> pdb=" O ASP b 344 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N THR b 349 " --> pdb=" O SER b 345 " (cutoff:3.500A) Processing helix chain 'c' and resid 172 through 176 removed outlier: 3.551A pdb=" N SER c 175 " --> pdb=" O GLU c 172 " (cutoff:3.500A) Processing helix chain 'c' and resid 200 through 214 removed outlier: 3.935A pdb=" N VAL c 210 " --> pdb=" O TRP c 206 " (cutoff:3.500A) Processing helix chain 'c' and resid 227 through 232 removed outlier: 3.748A pdb=" N ILE c 232 " --> pdb=" O GLU c 228 " (cutoff:3.500A) Processing helix chain 'c' and resid 235 through 240 Processing helix chain 'c' and resid 268 through 281 removed outlier: 3.710A pdb=" N VAL c 274 " --> pdb=" O LYS c 270 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N LEU c 275 " --> pdb=" O GLU c 271 " (cutoff:3.500A) Processing helix chain 'c' and resid 297 through 310 removed outlier: 3.850A pdb=" N ALA c 303 " --> pdb=" O ALA c 299 " (cutoff:3.500A) removed outlier: 3.860A pdb=" N GLN c 310 " --> pdb=" O GLY c 306 " (cutoff:3.500A) Processing helix chain 'c' and resid 333 through 347 removed outlier: 3.763A pdb=" N LEU c 337 " --> pdb=" O ASP c 333 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N ALA c 339 " --> pdb=" O GLU c 335 " (cutoff:3.500A) removed outlier: 3.581A pdb=" N PHE c 342 " --> pdb=" O ARG c 338 " (cutoff:3.500A) removed outlier: 3.841A pdb=" N ASP c 344 " --> pdb=" O ARG c 340 " (cutoff:3.500A) removed outlier: 4.003A pdb=" N SER c 345 " --> pdb=" O GLN c 341 " (cutoff:3.500A) Processing helix chain 'd' and resid 172 through 177 Processing helix chain 'd' and resid 200 through 214 removed outlier: 3.576A pdb=" N GLN d 209 " --> pdb=" O LEU d 205 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N VAL d 210 " --> pdb=" O TRP d 206 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N LEU d 211 " --> pdb=" O ALA d 207 " (cutoff:3.500A) Processing helix chain 'd' and resid 226 through 231 Processing helix chain 'd' and resid 235 through 240 Processing helix chain 'd' and resid 268 through 280 removed outlier: 3.532A pdb=" N LEU d 275 " --> pdb=" O GLU d 271 " (cutoff:3.500A) Processing helix chain 'd' and resid 295 through 310 removed outlier: 3.944A pdb=" N ALA d 299 " --> pdb=" O ASP d 295 " (cutoff:3.500A) removed outlier: 3.864A pdb=" N ALA d 300 " --> pdb=" O ASP d 296 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N ALA d 303 " --> pdb=" O ALA d 299 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N GLU d 304 " --> pdb=" O ALA d 300 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N GLN d 309 " --> pdb=" O ALA d 305 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N GLN d 310 " --> pdb=" O GLY d 306 " (cutoff:3.500A) Processing helix chain 'd' and resid 334 through 351 removed outlier: 3.833A pdb=" N ARG d 340 " --> pdb=" O ILE d 336 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N SER d 345 " --> pdb=" O GLN d 341 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N ARG d 348 " --> pdb=" O ASP d 344 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N THR d 349 " --> pdb=" O SER d 345 " (cutoff:3.500A) Processing helix chain 'e' and resid 172 through 177 removed outlier: 3.840A pdb=" N LEU e 176 " --> pdb=" O GLU e 172 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N LEU e 177 " --> pdb=" O LEU e 173 " (cutoff:3.500A) No H-bonds generated for 'chain 'e' and resid 172 through 177' Processing helix chain 'e' and resid 201 through 214 removed outlier: 3.786A pdb=" N VAL e 210 " --> pdb=" O TRP e 206 " (cutoff:3.500A) Processing helix chain 'e' and resid 225 through 235 removed outlier: 3.573A pdb=" N ILE e 232 " --> pdb=" O GLU e 228 " (cutoff:3.500A) removed outlier: 4.083A pdb=" N SER e 233 " --> pdb=" O ASN e 229 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N ILE e 234 " --> pdb=" O LYS e 230 " (cutoff:3.500A) removed outlier: 3.910A pdb=" N TRP e 235 " --> pdb=" O ARG e 231 " (cutoff:3.500A) Processing helix chain 'e' and resid 236 through 238 No H-bonds generated for 'chain 'e' and resid 236 through 238' Processing helix chain 'e' and resid 268 through 280 Processing helix chain 'e' and resid 297 through 310 removed outlier: 3.705A pdb=" N ALA e 303 " --> pdb=" O ALA e 299 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N LEU e 307 " --> pdb=" O ALA e 303 " (cutoff:3.500A) removed outlier: 3.813A pdb=" N GLN e 310 " --> pdb=" O GLY e 306 " (cutoff:3.500A) Processing helix chain 'e' and resid 332 through 351 removed outlier: 3.642A pdb=" N ILE e 336 " --> pdb=" O ASP e 332 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N LEU e 337 " --> pdb=" O ASP e 333 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N ALA e 339 " --> pdb=" O GLU e 335 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N GLN e 341 " --> pdb=" O LEU e 337 " (cutoff:3.500A) removed outlier: 3.982A pdb=" N ARG e 348 " --> pdb=" O ASP e 344 " (cutoff:3.500A) removed outlier: 4.278A pdb=" N THR e 349 " --> pdb=" O SER e 345 " (cutoff:3.500A) Processing helix chain 'f' and resid 172 through 176 removed outlier: 3.553A pdb=" N SER f 175 " --> pdb=" O GLU f 172 " (cutoff:3.500A) Processing helix chain 'f' and resid 200 through 214 removed outlier: 4.086A pdb=" N VAL f 210 " --> pdb=" O TRP f 206 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N LEU f 211 " --> pdb=" O ALA f 207 " (cutoff:3.500A) Processing helix chain 'f' and resid 224 through 235 removed outlier: 3.503A pdb=" N LYS f 230 " --> pdb=" O ASN f 226 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N ILE f 232 " --> pdb=" O GLU f 228 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N SER f 233 " --> pdb=" O ASN f 229 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N ILE f 234 " --> pdb=" O LYS f 230 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N TRP f 235 " --> pdb=" O ARG f 231 " (cutoff:3.500A) Processing helix chain 'f' and resid 236 through 238 No H-bonds generated for 'chain 'f' and resid 236 through 238' Processing helix chain 'f' and resid 268 through 279 Processing helix chain 'f' and resid 297 through 310 removed outlier: 4.144A pdb=" N ALA f 303 " --> pdb=" O ALA f 299 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N GLU f 304 " --> pdb=" O ALA f 300 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N GLN f 309 " --> pdb=" O ALA f 305 " (cutoff:3.500A) removed outlier: 3.940A pdb=" N GLN f 310 " --> pdb=" O GLY f 306 " (cutoff:3.500A) Processing helix chain 'f' and resid 332 through 351 removed outlier: 3.782A pdb=" N ASP f 344 " --> pdb=" O ARG f 340 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N SER f 345 " --> pdb=" O GLN f 341 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N THR f 349 " --> pdb=" O SER f 345 " (cutoff:3.500A) Processing helix chain 'g' and resid 200 through 214 removed outlier: 4.254A pdb=" N VAL g 210 " --> pdb=" O TRP g 206 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N LEU g 211 " --> pdb=" O ALA g 207 " (cutoff:3.500A) Processing helix chain 'g' and resid 226 through 235 removed outlier: 4.262A pdb=" N ILE g 232 " --> pdb=" O GLU g 228 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N SER g 233 " --> pdb=" O ASN g 229 " (cutoff:3.500A) Processing helix chain 'g' and resid 235 through 240 Processing helix chain 'g' and resid 268 through 283 removed outlier: 3.651A pdb=" N LEU g 275 " --> pdb=" O GLU g 271 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N LEU g 282 " --> pdb=" O LYS g 278 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N MET g 283 " --> pdb=" O LEU g 279 " (cutoff:3.500A) Processing helix chain 'g' and resid 296 through 310 removed outlier: 3.826A pdb=" N ALA g 300 " --> pdb=" O ASP g 296 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N ALA g 303 " --> pdb=" O ALA g 299 " (cutoff:3.500A) removed outlier: 3.760A pdb=" N GLN g 309 " --> pdb=" O ALA g 305 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N GLN g 310 " --> pdb=" O GLY g 306 " (cutoff:3.500A) Processing helix chain 'g' and resid 332 through 351 removed outlier: 3.698A pdb=" N ASP g 344 " --> pdb=" O ARG g 340 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N SER g 345 " --> pdb=" O GLN g 341 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N ARG g 348 " --> pdb=" O ASP g 344 " (cutoff:3.500A) removed outlier: 4.171A pdb=" N THR g 349 " --> pdb=" O SER g 345 " (cutoff:3.500A) Processing helix chain 'h' and resid 172 through 177 removed outlier: 3.571A pdb=" N LEU h 176 " --> pdb=" O GLU h 172 " (cutoff:3.500A) Processing helix chain 'h' and resid 200 through 214 removed outlier: 3.949A pdb=" N VAL h 210 " --> pdb=" O TRP h 206 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N LEU h 211 " --> pdb=" O ALA h 207 " (cutoff:3.500A) Processing helix chain 'h' and resid 224 through 235 removed outlier: 3.553A pdb=" N LYS h 230 " --> pdb=" O ASN h 226 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N SER h 233 " --> pdb=" O ASN h 229 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N TRP h 235 " --> pdb=" O ARG h 231 " (cutoff:3.500A) Processing helix chain 'h' and resid 236 through 238 No H-bonds generated for 'chain 'h' and resid 236 through 238' Processing helix chain 'h' and resid 268 through 279 Processing helix chain 'h' and resid 297 through 310 removed outlier: 3.744A pdb=" N ALA h 303 " --> pdb=" O ALA h 299 " (cutoff:3.500A) removed outlier: 4.219A pdb=" N GLN h 310 " --> pdb=" O GLY h 306 " (cutoff:3.500A) Processing helix chain 'h' and resid 332 through 351 removed outlier: 3.522A pdb=" N ALA h 339 " --> pdb=" O GLU h 335 " (cutoff:3.500A) removed outlier: 3.860A pdb=" N VAL h 343 " --> pdb=" O ALA h 339 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N SER h 345 " --> pdb=" O GLN h 341 " (cutoff:3.500A) removed outlier: 3.970A pdb=" N THR h 349 " --> pdb=" O SER h 345 " (cutoff:3.500A) Processing helix chain 'i' and resid 172 through 177 removed outlier: 3.798A pdb=" N LEU i 176 " --> pdb=" O GLU i 172 " (cutoff:3.500A) removed outlier: 3.735A pdb=" N LEU i 177 " --> pdb=" O LEU i 173 " (cutoff:3.500A) No H-bonds generated for 'chain 'i' and resid 172 through 177' Processing helix chain 'i' and resid 200 through 214 removed outlier: 3.665A pdb=" N LEU i 205 " --> pdb=" O GLU i 201 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N TRP i 206 " --> pdb=" O ARG i 202 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N VAL i 210 " --> pdb=" O TRP i 206 " (cutoff:3.500A) removed outlier: 3.920A pdb=" N LEU i 211 " --> pdb=" O ALA i 207 " (cutoff:3.500A) Processing helix chain 'i' and resid 227 through 232 removed outlier: 3.902A pdb=" N ILE i 232 " --> pdb=" O GLU i 228 " (cutoff:3.500A) Processing helix chain 'i' and resid 235 through 240 Processing helix chain 'i' and resid 268 through 279 removed outlier: 3.637A pdb=" N LEU i 275 " --> pdb=" O GLU i 271 " (cutoff:3.500A) Processing helix chain 'i' and resid 297 through 310 removed outlier: 4.259A pdb=" N ALA i 303 " --> pdb=" O ALA i 299 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N GLN i 310 " --> pdb=" O GLY i 306 " (cutoff:3.500A) Processing helix chain 'i' and resid 332 through 348 removed outlier: 3.715A pdb=" N LEU i 337 " --> pdb=" O ASP i 333 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N ARG i 348 " --> pdb=" O ASP i 344 " (cutoff:3.500A) Processing helix chain 'j' and resid 172 through 177 Processing helix chain 'j' and resid 200 through 214 removed outlier: 3.643A pdb=" N TRP j 206 " --> pdb=" O ARG j 202 " (cutoff:3.500A) removed outlier: 3.869A pdb=" N GLN j 209 " --> pdb=" O LEU j 205 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N VAL j 210 " --> pdb=" O TRP j 206 " (cutoff:3.500A) removed outlier: 3.792A pdb=" N LEU j 211 " --> pdb=" O ALA j 207 " (cutoff:3.500A) removed outlier: 3.580A pdb=" N GLY j 214 " --> pdb=" O VAL j 210 " (cutoff:3.500A) Processing helix chain 'j' and resid 226 through 235 removed outlier: 3.600A pdb=" N ILE j 232 " --> pdb=" O GLU j 228 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N SER j 233 " --> pdb=" O ASN j 229 " (cutoff:3.500A) Processing helix chain 'j' and resid 236 through 238 No H-bonds generated for 'chain 'j' and resid 236 through 238' Processing helix chain 'j' and resid 270 through 283 removed outlier: 3.564A pdb=" N VAL j 274 " --> pdb=" O LYS j 270 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N SER j 276 " --> pdb=" O LEU j 272 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N ALA j 281 " --> pdb=" O GLN j 277 " (cutoff:3.500A) Processing helix chain 'j' and resid 295 through 310 removed outlier: 3.514A pdb=" N ALA j 300 " --> pdb=" O ASP j 296 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ALA j 303 " --> pdb=" O ALA j 299 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N LEU j 307 " --> pdb=" O ALA j 303 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N GLN j 309 " --> pdb=" O ALA j 305 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N GLN j 310 " --> pdb=" O GLY j 306 " (cutoff:3.500A) Processing helix chain 'j' and resid 334 through 348 removed outlier: 3.985A pdb=" N ARG j 340 " --> pdb=" O ILE j 336 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N SER j 345 " --> pdb=" O GLN j 341 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N ARG j 348 " --> pdb=" O ASP j 344 " (cutoff:3.500A) Processing helix chain 'k' and resid 172 through 177 removed outlier: 3.545A pdb=" N LEU k 176 " --> pdb=" O GLU k 172 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N LEU k 177 " --> pdb=" O LEU k 173 " (cutoff:3.500A) No H-bonds generated for 'chain 'k' and resid 172 through 177' Processing helix chain 'k' and resid 200 through 214 removed outlier: 4.111A pdb=" N VAL k 210 " --> pdb=" O TRP k 206 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N LEU k 211 " --> pdb=" O ALA k 207 " (cutoff:3.500A) Processing helix chain 'k' and resid 227 through 240 removed outlier: 3.691A pdb=" N ILE k 232 " --> pdb=" O GLU k 228 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N SER k 233 " --> pdb=" O ASN k 229 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ILE k 234 " --> pdb=" O LYS k 230 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N TRP k 235 " --> pdb=" O ARG k 231 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N ASP k 237 " --> pdb=" O SER k 233 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N THR k 238 " --> pdb=" O ILE k 234 " (cutoff:3.500A) Processing helix chain 'k' and resid 268 through 277 Processing helix chain 'k' and resid 296 through 310 removed outlier: 3.753A pdb=" N ALA k 300 " --> pdb=" O ASP k 296 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N ALA k 303 " --> pdb=" O ALA k 299 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N GLU k 304 " --> pdb=" O ALA k 300 " (cutoff:3.500A) removed outlier: 4.091A pdb=" N GLN k 310 " --> pdb=" O GLY k 306 " (cutoff:3.500A) Processing helix chain 'k' and resid 332 through 351 removed outlier: 3.684A pdb=" N ILE k 336 " --> pdb=" O ASP k 332 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N LEU k 337 " --> pdb=" O ASP k 333 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASP k 344 " --> pdb=" O ARG k 340 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N SER k 345 " --> pdb=" O GLN k 341 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N ARG k 348 " --> pdb=" O ASP k 344 " (cutoff:3.500A) removed outlier: 4.301A pdb=" N THR k 349 " --> pdb=" O SER k 345 " (cutoff:3.500A) Processing helix chain 'l' and resid 172 through 177 removed outlier: 3.579A pdb=" N LEU l 176 " --> pdb=" O GLU l 172 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N LEU l 177 " --> pdb=" O LEU l 173 " (cutoff:3.500A) No H-bonds generated for 'chain 'l' and resid 172 through 177' Processing helix chain 'l' and resid 200 through 214 removed outlier: 4.113A pdb=" N VAL l 210 " --> pdb=" O TRP l 206 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N LEU l 211 " --> pdb=" O ALA l 207 " (cutoff:3.500A) Processing helix chain 'l' and resid 230 through 235 removed outlier: 3.945A pdb=" N ILE l 234 " --> pdb=" O LYS l 230 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N TRP l 235 " --> pdb=" O ARG l 231 " (cutoff:3.500A) No H-bonds generated for 'chain 'l' and resid 230 through 235' Processing helix chain 'l' and resid 235 through 240 Processing helix chain 'l' and resid 268 through 279 removed outlier: 3.592A pdb=" N VAL l 274 " --> pdb=" O LYS l 270 " (cutoff:3.500A) Processing helix chain 'l' and resid 297 through 310 removed outlier: 3.799A pdb=" N ALA l 303 " --> pdb=" O ALA l 299 " (cutoff:3.500A) removed outlier: 3.656A pdb=" N GLY l 306 " --> pdb=" O GLN l 302 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N GLN l 310 " --> pdb=" O GLY l 306 " (cutoff:3.500A) Processing helix chain 'l' and resid 332 through 348 removed outlier: 3.652A pdb=" N ARG l 348 " --> pdb=" O ASP l 344 " (cutoff:3.500A) Processing helix chain 'm' and resid 172 through 177 removed outlier: 3.751A pdb=" N LEU m 176 " --> pdb=" O GLU m 172 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N LEU m 177 " --> pdb=" O LEU m 173 " (cutoff:3.500A) No H-bonds generated for 'chain 'm' and resid 172 through 177' Processing helix chain 'm' and resid 200 through 214 removed outlier: 4.032A pdb=" N VAL m 210 " --> pdb=" O TRP m 206 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU m 211 " --> pdb=" O ALA m 207 " (cutoff:3.500A) Processing helix chain 'm' and resid 235 through 240 removed outlier: 3.665A pdb=" N TYR m 239 " --> pdb=" O TRP m 235 " (cutoff:3.500A) Processing helix chain 'm' and resid 268 through 279 removed outlier: 3.557A pdb=" N GLU m 273 " --> pdb=" O LYS m 269 " (cutoff:3.500A) Processing helix chain 'm' and resid 297 through 305 removed outlier: 3.902A pdb=" N ALA m 303 " --> pdb=" O ALA m 299 " (cutoff:3.500A) Processing helix chain 'm' and resid 334 through 348 removed outlier: 3.643A pdb=" N ARG m 340 " --> pdb=" O ILE m 336 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N PHE m 342 " --> pdb=" O ARG m 338 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ARG m 348 " --> pdb=" O ASP m 344 " (cutoff:3.500A) Processing helix chain 'n' and resid 172 through 177 removed outlier: 3.558A pdb=" N LEU n 177 " --> pdb=" O LEU n 173 " (cutoff:3.500A) Processing helix chain 'n' and resid 200 through 214 removed outlier: 3.519A pdb=" N LEU n 205 " --> pdb=" O GLU n 201 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N TRP n 206 " --> pdb=" O ARG n 202 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N ALA n 207 " --> pdb=" O ASP n 203 " (cutoff:3.500A) removed outlier: 4.078A pdb=" N VAL n 210 " --> pdb=" O TRP n 206 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N LEU n 211 " --> pdb=" O ALA n 207 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N GLY n 214 " --> pdb=" O VAL n 210 " (cutoff:3.500A) Processing helix chain 'n' and resid 225 through 232 removed outlier: 3.754A pdb=" N ILE n 232 " --> pdb=" O GLU n 228 " (cutoff:3.500A) Processing helix chain 'n' and resid 234 through 238 Processing helix chain 'n' and resid 268 through 281 removed outlier: 3.847A pdb=" N ALA n 281 " --> pdb=" O GLN n 277 " (cutoff:3.500A) Processing helix chain 'n' and resid 296 through 310 removed outlier: 3.761A pdb=" N ALA n 300 " --> pdb=" O ASP n 296 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N ALA n 303 " --> pdb=" O ALA n 299 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N GLN n 310 " --> pdb=" O GLY n 306 " (cutoff:3.500A) Processing helix chain 'n' and resid 333 through 351 removed outlier: 3.784A pdb=" N LEU n 337 " --> pdb=" O ASP n 333 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N ALA n 339 " --> pdb=" O GLU n 335 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N GLN n 341 " --> pdb=" O LEU n 337 " (cutoff:3.500A) removed outlier: 4.138A pdb=" N PHE n 342 " --> pdb=" O ARG n 338 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N ASP n 344 " --> pdb=" O ARG n 340 " (cutoff:3.500A) removed outlier: 3.929A pdb=" N SER n 345 " --> pdb=" O GLN n 341 " (cutoff:3.500A) removed outlier: 4.181A pdb=" N THR n 349 " --> pdb=" O SER n 345 " (cutoff:3.500A) Processing helix chain 'o' and resid 28 through 40 removed outlier: 3.782A pdb=" N ASN o 33 " --> pdb=" O GLN o 29 " (cutoff:3.500A) removed outlier: 3.964A pdb=" N GLU o 34 " --> pdb=" O GLU o 30 " (cutoff:3.500A) Processing helix chain 'o' and resid 41 through 43 No H-bonds generated for 'chain 'o' and resid 41 through 43' Processing helix chain 'o' and resid 64 through 76 removed outlier: 3.743A pdb=" N ALA o 68 " --> pdb=" O ASP o 64 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N TYR o 70 " --> pdb=" O THR o 66 " (cutoff:3.500A) Processing helix chain 'o' and resid 84 through 89 removed outlier: 3.624A pdb=" N PHE o 89 " --> pdb=" O ALA o 86 " (cutoff:3.500A) Processing helix chain 'o' and resid 98 through 118 removed outlier: 3.959A pdb=" N ARG o 104 " --> pdb=" O ALA o 100 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N TYR o 106 " --> pdb=" O LYS o 102 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N SER o 107 " --> pdb=" O ALA o 103 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N ALA o 108 " --> pdb=" O ARG o 104 " (cutoff:3.500A) removed outlier: 4.189A pdb=" N GLN o 111 " --> pdb=" O SER o 107 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N GLU o 114 " --> pdb=" O GLU o 110 " (cutoff:3.500A) Processing helix chain 'o' and resid 163 through 173 removed outlier: 3.696A pdb=" N ILE o 167 " --> pdb=" O GLN o 163 " (cutoff:3.500A) removed outlier: 4.389A pdb=" N ASN o 173 " --> pdb=" O ARG o 169 " (cutoff:3.500A) Processing helix chain 'p' and resid 28 through 40 removed outlier: 3.780A pdb=" N ASN p 33 " --> pdb=" O GLN p 29 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N GLU p 34 " --> pdb=" O GLU p 30 " (cutoff:3.500A) removed outlier: 3.929A pdb=" N ALA p 37 " --> pdb=" O ASN p 33 " (cutoff:3.500A) Processing helix chain 'p' and resid 41 through 43 No H-bonds generated for 'chain 'p' and resid 41 through 43' Processing helix chain 'p' and resid 65 through 76 removed outlier: 3.625A pdb=" N LYS p 73 " --> pdb=" O VAL p 69 " (cutoff:3.500A) Processing helix chain 'p' and resid 84 through 88 Processing helix chain 'p' and resid 97 through 117 removed outlier: 3.752A pdb=" N LEU p 105 " --> pdb=" O GLU p 101 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N SER p 107 " --> pdb=" O ALA p 103 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N ALA p 108 " --> pdb=" O ARG p 104 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N GLN p 111 " --> pdb=" O SER p 107 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N GLU p 114 " --> pdb=" O GLU p 110 " (cutoff:3.500A) Processing helix chain 'p' and resid 118 through 120 No H-bonds generated for 'chain 'p' and resid 118 through 120' Processing helix chain 'p' and resid 163 through 173 removed outlier: 3.904A pdb=" N ARG p 169 " --> pdb=" O SER p 165 " (cutoff:3.500A) removed outlier: 4.540A pdb=" N ASN p 173 " --> pdb=" O ARG p 169 " (cutoff:3.500A) Processing helix chain 'q' and resid 28 through 40 removed outlier: 3.786A pdb=" N ILE q 36 " --> pdb=" O ALA q 32 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N ALA q 37 " --> pdb=" O ASN q 33 " (cutoff:3.500A) Processing helix chain 'q' and resid 41 through 43 No H-bonds generated for 'chain 'q' and resid 41 through 43' Processing helix chain 'q' and resid 65 through 76 removed outlier: 3.526A pdb=" N TYR q 70 " --> pdb=" O THR q 66 " (cutoff:3.500A) Processing helix chain 'q' and resid 84 through 88 Processing helix chain 'q' and resid 97 through 118 removed outlier: 3.559A pdb=" N SER q 107 " --> pdb=" O ALA q 103 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N ALA q 108 " --> pdb=" O ARG q 104 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N GLN q 111 " --> pdb=" O SER q 107 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N GLU q 114 " --> pdb=" O GLU q 110 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLN q 118 " --> pdb=" O GLU q 114 " (cutoff:3.500A) Processing helix chain 'q' and resid 161 through 163 No H-bonds generated for 'chain 'q' and resid 161 through 163' Processing helix chain 'q' and resid 164 through 173 removed outlier: 3.605A pdb=" N LYS q 168 " --> pdb=" O ILE q 164 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N ASN q 173 " --> pdb=" O ARG q 169 " (cutoff:3.500A) Processing helix chain 'r' and resid 31 through 40 removed outlier: 3.759A pdb=" N VAL r 35 " --> pdb=" O GLN r 31 " (cutoff:3.500A) Processing helix chain 'r' and resid 41 through 43 No H-bonds generated for 'chain 'r' and resid 41 through 43' Processing helix chain 'r' and resid 52 through 54 No H-bonds generated for 'chain 'r' and resid 52 through 54' Processing helix chain 'r' and resid 64 through 76 removed outlier: 4.235A pdb=" N TYR r 70 " --> pdb=" O THR r 66 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N TRP r 71 " --> pdb=" O ALA r 67 " (cutoff:3.500A) Processing helix chain 'r' and resid 84 through 88 removed outlier: 3.531A pdb=" N GLN r 87 " --> pdb=" O GLU r 84 " (cutoff:3.500A) Processing helix chain 'r' and resid 97 through 118 removed outlier: 3.769A pdb=" N ALA r 108 " --> pdb=" O ARG r 104 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N GLN r 115 " --> pdb=" O GLN r 111 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N GLN r 118 " --> pdb=" O GLU r 114 " (cutoff:3.500A) Processing helix chain 'r' and resid 163 through 173 removed outlier: 4.320A pdb=" N ILE r 167 " --> pdb=" O GLN r 163 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N LYS r 168 " --> pdb=" O ILE r 164 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N ARG r 169 " --> pdb=" O SER r 165 " (cutoff:3.500A) removed outlier: 4.361A pdb=" N ASN r 173 " --> pdb=" O ARG r 169 " (cutoff:3.500A) Processing helix chain 's' and resid 28 through 40 removed outlier: 3.613A pdb=" N ASN s 33 " --> pdb=" O GLN s 29 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N GLU s 34 " --> pdb=" O GLU s 30 " (cutoff:3.500A) removed outlier: 3.865A pdb=" N ALA s 37 " --> pdb=" O ASN s 33 " (cutoff:3.500A) Processing helix chain 's' and resid 41 through 43 No H-bonds generated for 'chain 's' and resid 41 through 43' Processing helix chain 's' and resid 52 through 54 No H-bonds generated for 'chain 's' and resid 52 through 54' Processing helix chain 's' and resid 64 through 76 Processing helix chain 's' and resid 84 through 88 Processing helix chain 's' and resid 101 through 118 removed outlier: 3.671A pdb=" N GLN s 111 " --> pdb=" O SER s 107 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N GLU s 114 " --> pdb=" O GLU s 110 " (cutoff:3.500A) removed outlier: 3.855A pdb=" N GLN s 115 " --> pdb=" O GLN s 111 " (cutoff:3.500A) removed outlier: 3.702A pdb=" N GLN s 118 " --> pdb=" O GLU s 114 " (cutoff:3.500A) Processing helix chain 's' and resid 163 through 171 removed outlier: 3.950A pdb=" N ILE s 167 " --> pdb=" O GLN s 163 " (cutoff:3.500A) Processing helix chain 's' and resid 172 through 175 removed outlier: 3.863A pdb=" N PHE s 175 " --> pdb=" O LYS s 172 " (cutoff:3.500A) No H-bonds generated for 'chain 's' and resid 172 through 175' Processing helix chain 't' and resid 28 through 40 removed outlier: 3.580A pdb=" N GLU t 34 " --> pdb=" O GLU t 30 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ALA t 37 " --> pdb=" O ASN t 33 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N VAL t 38 " --> pdb=" O GLU t 34 " (cutoff:3.500A) Processing helix chain 't' and resid 41 through 43 No H-bonds generated for 'chain 't' and resid 41 through 43' Processing helix chain 't' and resid 64 through 76 removed outlier: 3.512A pdb=" N TYR t 70 " --> pdb=" O THR t 66 " (cutoff:3.500A) Processing helix chain 't' and resid 84 through 88 removed outlier: 3.541A pdb=" N MET t 88 " --> pdb=" O ILE t 85 " (cutoff:3.500A) Processing helix chain 't' and resid 97 through 117 removed outlier: 3.787A pdb=" N ARG t 104 " --> pdb=" O ALA t 100 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N ALA t 108 " --> pdb=" O ARG t 104 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N GLN t 111 " --> pdb=" O SER t 107 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N GLU t 114 " --> pdb=" O GLU t 110 " (cutoff:3.500A) Processing helix chain 't' and resid 118 through 120 No H-bonds generated for 'chain 't' and resid 118 through 120' Processing helix chain 't' and resid 163 through 173 removed outlier: 3.678A pdb=" N ILE t 167 " --> pdb=" O GLN t 163 " (cutoff:3.500A) removed outlier: 4.038A pdb=" N ASN t 173 " --> pdb=" O ARG t 169 " (cutoff:3.500A) Processing helix chain 'u' and resid 28 through 40 removed outlier: 3.796A pdb=" N ASN u 33 " --> pdb=" O GLN u 29 " (cutoff:3.500A) removed outlier: 4.191A pdb=" N GLU u 34 " --> pdb=" O GLU u 30 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N VAL u 35 " --> pdb=" O GLN u 31 " (cutoff:3.500A) Processing helix chain 'u' and resid 41 through 43 No H-bonds generated for 'chain 'u' and resid 41 through 43' Processing helix chain 'u' and resid 65 through 76 removed outlier: 3.578A pdb=" N TYR u 70 " --> pdb=" O THR u 66 " (cutoff:3.500A) Processing helix chain 'u' and resid 84 through 88 Processing helix chain 'u' and resid 97 through 118 removed outlier: 3.889A pdb=" N ALA u 108 " --> pdb=" O ARG u 104 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N GLN u 111 " --> pdb=" O SER u 107 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N GLU u 114 " --> pdb=" O GLU u 110 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N GLN u 118 " --> pdb=" O GLU u 114 " (cutoff:3.500A) Processing helix chain 'u' and resid 163 through 173 removed outlier: 3.640A pdb=" N ILE u 167 " --> pdb=" O GLN u 163 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N LYS u 168 " --> pdb=" O ILE u 164 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N ASN u 173 " --> pdb=" O ARG u 169 " (cutoff:3.500A) Processing helix chain 'v' and resid 28 through 40 removed outlier: 3.789A pdb=" N ALA v 37 " --> pdb=" O ASN v 33 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N VAL v 38 " --> pdb=" O GLU v 34 " (cutoff:3.500A) Processing helix chain 'v' and resid 41 through 43 No H-bonds generated for 'chain 'v' and resid 41 through 43' Processing helix chain 'v' and resid 51 through 55 removed outlier: 3.626A pdb=" N LEU v 54 " --> pdb=" O SER v 51 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N GLY v 55 " --> pdb=" O GLY v 52 " (cutoff:3.500A) No H-bonds generated for 'chain 'v' and resid 51 through 55' Processing helix chain 'v' and resid 64 through 76 Processing helix chain 'v' and resid 84 through 88 Processing helix chain 'v' and resid 97 through 118 removed outlier: 3.902A pdb=" N ALA v 108 " --> pdb=" O ARG v 104 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N GLN v 111 " --> pdb=" O SER v 107 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLU v 114 " --> pdb=" O GLU v 110 " (cutoff:3.500A) removed outlier: 3.969A pdb=" N GLN v 118 " --> pdb=" O GLU v 114 " (cutoff:3.500A) Processing helix chain 'v' and resid 163 through 173 removed outlier: 3.909A pdb=" N ILE v 167 " --> pdb=" O GLN v 163 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LYS v 168 " --> pdb=" O ILE v 164 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N ASN v 173 " --> pdb=" O ARG v 169 " (cutoff:3.500A) Processing helix chain 'w' and resid 28 through 40 removed outlier: 3.637A pdb=" N ASN w 33 " --> pdb=" O GLN w 29 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N GLU w 34 " --> pdb=" O GLU w 30 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N VAL w 35 " --> pdb=" O GLN w 31 " (cutoff:3.500A) Processing helix chain 'w' and resid 41 through 43 No H-bonds generated for 'chain 'w' and resid 41 through 43' Processing helix chain 'w' and resid 64 through 76 Processing helix chain 'w' and resid 84 through 88 removed outlier: 3.678A pdb=" N MET w 88 " --> pdb=" O ILE w 85 " (cutoff:3.500A) Processing helix chain 'w' and resid 98 through 118 removed outlier: 3.505A pdb=" N ALA w 103 " --> pdb=" O ARG w 99 " (cutoff:3.500A) removed outlier: 4.159A pdb=" N ARG w 104 " --> pdb=" O ALA w 100 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ALA w 108 " --> pdb=" O ARG w 104 " (cutoff:3.500A) removed outlier: 3.796A pdb=" N GLN w 111 " --> pdb=" O SER w 107 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N GLU w 114 " --> pdb=" O GLU w 110 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N GLN w 118 " --> pdb=" O GLU w 114 " (cutoff:3.500A) Processing helix chain 'w' and resid 134 through 138 removed outlier: 3.694A pdb=" N GLY w 137 " --> pdb=" O ILE w 134 " (cutoff:3.500A) Processing helix chain 'w' and resid 163 through 173 removed outlier: 3.800A pdb=" N LYS w 168 " --> pdb=" O ILE w 164 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N ARG w 169 " --> pdb=" O SER w 165 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N PHE w 170 " --> pdb=" O ASP w 166 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N ASN w 173 " --> pdb=" O ARG w 169 " (cutoff:3.500A) Processing helix chain 'x' and resid 28 through 40 removed outlier: 3.526A pdb=" N ASN x 33 " --> pdb=" O GLN x 29 " (cutoff:3.500A) removed outlier: 3.760A pdb=" N GLU x 34 " --> pdb=" O GLU x 30 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N ALA x 37 " --> pdb=" O ASN x 33 " (cutoff:3.500A) Processing helix chain 'x' and resid 41 through 43 No H-bonds generated for 'chain 'x' and resid 41 through 43' Processing helix chain 'x' and resid 52 through 54 No H-bonds generated for 'chain 'x' and resid 52 through 54' Processing helix chain 'x' and resid 64 through 76 removed outlier: 3.891A pdb=" N ALA x 68 " --> pdb=" O ASP x 64 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N TYR x 70 " --> pdb=" O THR x 66 " (cutoff:3.500A) Processing helix chain 'x' and resid 84 through 88 Processing helix chain 'x' and resid 98 through 118 removed outlier: 3.541A pdb=" N LYS x 102 " --> pdb=" O PRO x 98 " (cutoff:3.500A) removed outlier: 3.999A pdb=" N ALA x 103 " --> pdb=" O ARG x 99 " (cutoff:3.500A) removed outlier: 4.600A pdb=" N ARG x 104 " --> pdb=" O ALA x 100 " (cutoff:3.500A) removed outlier: 4.137A pdb=" N GLN x 111 " --> pdb=" O SER x 107 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N GLU x 114 " --> pdb=" O GLU x 110 " (cutoff:3.500A) removed outlier: 4.003A pdb=" N GLN x 118 " --> pdb=" O GLU x 114 " (cutoff:3.500A) Processing helix chain 'x' and resid 163 through 173 removed outlier: 4.145A pdb=" N ILE x 167 " --> pdb=" O GLN x 163 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N LYS x 168 " --> pdb=" O ILE x 164 " (cutoff:3.500A) removed outlier: 4.530A pdb=" N ASN x 173 " --> pdb=" O ARG x 169 " (cutoff:3.500A) Processing helix chain 'y' and resid 28 through 40 removed outlier: 3.798A pdb=" N GLU y 34 " --> pdb=" O GLU y 30 " (cutoff:3.500A) removed outlier: 3.558A pdb=" N VAL y 35 " --> pdb=" O GLN y 31 " (cutoff:3.500A) Processing helix chain 'y' and resid 41 through 43 No H-bonds generated for 'chain 'y' and resid 41 through 43' Processing helix chain 'y' and resid 52 through 54 No H-bonds generated for 'chain 'y' and resid 52 through 54' Processing helix chain 'y' and resid 64 through 76 removed outlier: 3.595A pdb=" N TYR y 70 " --> pdb=" O THR y 66 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N LYS y 73 " --> pdb=" O VAL y 69 " (cutoff:3.500A) Processing helix chain 'y' and resid 84 through 88 Processing helix chain 'y' and resid 98 through 116 removed outlier: 3.662A pdb=" N ALA y 103 " --> pdb=" O ARG y 99 " (cutoff:3.500A) removed outlier: 4.455A pdb=" N ARG y 104 " --> pdb=" O ALA y 100 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N ALA y 108 " --> pdb=" O ARG y 104 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N GLN y 111 " --> pdb=" O SER y 107 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N GLU y 114 " --> pdb=" O GLU y 110 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N GLN y 115 " --> pdb=" O GLN y 111 " (cutoff:3.500A) Processing helix chain 'y' and resid 134 through 138 Processing helix chain 'y' and resid 163 through 173 removed outlier: 3.782A pdb=" N ILE y 167 " --> pdb=" O GLN y 163 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N ARG y 169 " --> pdb=" O SER y 165 " (cutoff:3.500A) removed outlier: 4.171A pdb=" N ASN y 173 " --> pdb=" O ARG y 169 " (cutoff:3.500A) Processing helix chain 'z' and resid 28 through 40 removed outlier: 3.734A pdb=" N GLU z 34 " --> pdb=" O GLU z 30 " (cutoff:3.500A) removed outlier: 3.674A pdb=" N VAL z 35 " --> pdb=" O GLN z 31 " (cutoff:3.500A) Processing helix chain 'z' and resid 41 through 43 No H-bonds generated for 'chain 'z' and resid 41 through 43' Processing helix chain 'z' and resid 52 through 54 No H-bonds generated for 'chain 'z' and resid 52 through 54' Processing helix chain 'z' and resid 64 through 76 removed outlier: 3.534A pdb=" N TYR z 70 " --> pdb=" O THR z 66 " (cutoff:3.500A) Processing helix chain 'z' and resid 84 through 88 Processing helix chain 'z' and resid 98 through 118 removed outlier: 3.829A pdb=" N ALA z 103 " --> pdb=" O ARG z 99 " (cutoff:3.500A) removed outlier: 4.290A pdb=" N ARG z 104 " --> pdb=" O ALA z 100 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N ALA z 108 " --> pdb=" O ARG z 104 " (cutoff:3.500A) removed outlier: 3.891A pdb=" N GLN z 111 " --> pdb=" O SER z 107 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N GLU z 114 " --> pdb=" O GLU z 110 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N GLN z 118 " --> pdb=" O GLU z 114 " (cutoff:3.500A) Processing helix chain 'z' and resid 165 through 173 removed outlier: 4.238A pdb=" N ASN z 173 " --> pdb=" O ARG z 169 " (cutoff:3.500A) Processing helix chain 'AJ' and resid 28 through 40 removed outlier: 3.628A pdb=" N ASNAJ 33 " --> pdb=" O GLNAJ 29 " (cutoff:3.500A) removed outlier: 3.888A pdb=" N GLUAJ 34 " --> pdb=" O GLUAJ 30 " (cutoff:3.500A) Processing helix chain 'AJ' and resid 41 through 43 No H-bonds generated for 'chain 'AJ' and resid 41 through 43' Processing helix chain 'AJ' and resid 52 through 54 No H-bonds generated for 'chain 'AJ' and resid 52 through 54' Processing helix chain 'AJ' and resid 64 through 76 removed outlier: 3.644A pdb=" N ALAAJ 68 " --> pdb=" O ASPAJ 64 " (cutoff:3.500A) Processing helix chain 'AJ' and resid 84 through 88 Processing helix chain 'AJ' and resid 97 through 110 removed outlier: 3.656A pdb=" N LEUAJ 105 " --> pdb=" O GLUAJ 101 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N TYRAJ 106 " --> pdb=" O LYSAJ 102 " (cutoff:3.500A) removed outlier: 4.341A pdb=" N ALAAJ 108 " --> pdb=" O ARGAJ 104 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N ILEAJ 109 " --> pdb=" O LEUAJ 105 " (cutoff:3.500A) Processing helix chain 'AJ' and resid 112 through 118 removed outlier: 3.800A pdb=" N GLNAJ 118 " --> pdb=" O GLUAJ 114 " (cutoff:3.500A) Processing helix chain 'AJ' and resid 163 through 173 removed outlier: 3.854A pdb=" N ILEAJ 167 " --> pdb=" O GLNAJ 163 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LYSAJ 168 " --> pdb=" O ILEAJ 164 " (cutoff:3.500A) removed outlier: 4.285A pdb=" N ASNAJ 173 " --> pdb=" O ARGAJ 169 " (cutoff:3.500A) Processing helix chain 'AK' and resid 28 through 40 removed outlier: 3.876A pdb=" N GLUAK 34 " --> pdb=" O GLUAK 30 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ALAAK 37 " --> pdb=" O ASNAK 33 " (cutoff:3.500A) Processing helix chain 'AK' and resid 41 through 43 No H-bonds generated for 'chain 'AK' and resid 41 through 43' Processing helix chain 'AK' and resid 64 through 76 removed outlier: 3.683A pdb=" N TYRAK 70 " --> pdb=" O THRAK 66 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N TRPAK 71 " --> pdb=" O ALAAK 67 " (cutoff:3.500A) Processing helix chain 'AK' and resid 84 through 88 Processing helix chain 'AK' and resid 98 through 118 removed outlier: 4.001A pdb=" N ARGAK 104 " --> pdb=" O ALAAK 100 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N SERAK 107 " --> pdb=" O ALAAK 103 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N ALAAK 108 " --> pdb=" O ARGAK 104 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N GLUAK 114 " --> pdb=" O GLUAK 110 " (cutoff:3.500A) removed outlier: 3.792A pdb=" N GLNAK 115 " --> pdb=" O GLNAK 111 " (cutoff:3.500A) Processing helix chain 'AK' and resid 163 through 171 removed outlier: 3.706A pdb=" N ILEAK 167 " --> pdb=" O GLNAK 163 " (cutoff:3.500A) removed outlier: 3.872A pdb=" N LYSAK 168 " --> pdb=" O ILEAK 164 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N ARGAK 169 " --> pdb=" O SERAK 165 " (cutoff:3.500A) Processing helix chain 'AK' and resid 172 through 175 removed outlier: 4.077A pdb=" N PHEAK 175 " --> pdb=" O LYSAK 172 " (cutoff:3.500A) No H-bonds generated for 'chain 'AK' and resid 172 through 175' Processing helix chain 'AK' and resid 179 through 181 No H-bonds generated for 'chain 'AK' and resid 179 through 181' Processing helix chain '0' and resid 4 through 24 removed outlier: 3.808A pdb=" N ILE 0 8 " --> pdb=" O ASP 0 4 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N ALA 0 9 " --> pdb=" O ILE 0 5 " (cutoff:3.500A) removed outlier: 4.819A pdb=" N SER 0 14 " --> pdb=" O LEU 0 10 " (cutoff:3.500A) Proline residue: 0 18 - end of helix removed outlier: 3.525A pdb=" N ALA 0 22 " --> pdb=" O PRO 0 18 " (cutoff:3.500A) Processing helix chain '0' and resid 26 through 42 removed outlier: 3.527A pdb=" N ILE 0 32 " --> pdb=" O VAL 0 28 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N VAL 0 33 " --> pdb=" O LYS 0 29 " (cutoff:3.500A) removed outlier: 4.011A pdb=" N PHE 0 34 " --> pdb=" O PHE 0 30 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N VAL 0 35 " --> pdb=" O SER 0 31 " (cutoff:3.500A) Processing helix chain '0' and resid 49 through 76 removed outlier: 3.548A pdb=" N LEU 0 57 " --> pdb=" O ASN 0 53 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N LEU 0 58 " --> pdb=" O GLY 0 54 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N VAL 0 63 " --> pdb=" O LEU 0 59 " (cutoff:3.500A) removed outlier: 3.605A pdb=" N MET 0 64 " --> pdb=" O SER 0 60 " (cutoff:3.500A) Proline residue: 0 66 - end of helix removed outlier: 3.684A pdb=" N TYR 0 72 " --> pdb=" O MET 0 68 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N TYR 0 74 " --> pdb=" O ASP 0 70 " (cutoff:3.500A) Processing helix chain '0' and resid 84 through 107 removed outlier: 3.544A pdb=" N LEU 0 88 " --> pdb=" O ASP 0 84 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N HIS 0 91 " --> pdb=" O SER 0 87 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N VAL 0 92 " --> pdb=" O LEU 0 88 " (cutoff:3.500A) removed outlier: 4.343A pdb=" N GLY 0 98 " --> pdb=" O GLU 0 94 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N TYR 0 99 " --> pdb=" O GLY 0 95 " (cutoff:3.500A) removed outlier: 4.053A pdb=" N TYR 0 102 " --> pdb=" O GLY 0 98 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N LYS 0 105 " --> pdb=" O ASP 0 101 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N TYR 0 106 " --> pdb=" O TYR 0 102 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N SER 0 107 " --> pdb=" O LEU 0 103 " (cutoff:3.500A) Processing helix chain '0' and resid 113 through 118 removed outlier: 3.953A pdb=" N ALA 0 118 " --> pdb=" O PHE 0 114 " (cutoff:3.500A) Processing helix chain '0' and resid 146 through 167 removed outlier: 3.880A pdb=" N LYS 0 160 " --> pdb=" O LYS 0 156 " (cutoff:3.500A) removed outlier: 3.883A pdb=" N ILE 0 161 " --> pdb=" O SER 0 157 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N TYR 0 164 " --> pdb=" O LYS 0 160 " (cutoff:3.500A) Processing helix chain '0' and resid 168 through 170 No H-bonds generated for 'chain '0' and resid 168 through 170' Processing helix chain '0' and resid 171 through 183 removed outlier: 3.539A pdb=" N LEU 0 180 " --> pdb=" O VAL 0 176 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N LEU 0 181 " --> pdb=" O SER 0 177 " (cutoff:3.500A) Processing helix chain '0' and resid 190 through 205 Proline residue: 0 196 - end of helix removed outlier: 3.592A pdb=" N PHE 0 202 " --> pdb=" O LYS 0 198 " (cutoff:3.500A) Processing helix chain '0' and resid 206 through 220 removed outlier: 3.510A pdb=" N LEU 0 210 " --> pdb=" O ASP 0 206 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N SER 0 212 " --> pdb=" O TRP 0 208 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N LYS 0 213 " --> pdb=" O THR 0 209 " (cutoff:3.500A) removed outlier: 4.514A pdb=" N GLN 0 218 " --> pdb=" O GLY 0 214 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N TYR 0 219 " --> pdb=" O LEU 0 215 " (cutoff:3.500A) Processing helix chain '1' and resid 4 through 24 removed outlier: 3.524A pdb=" N ILE 1 8 " --> pdb=" O ASP 1 4 " (cutoff:3.500A) Proline residue: 1 18 - end of helix Processing helix chain '1' and resid 26 through 42 removed outlier: 3.645A pdb=" N PHE 1 30 " --> pdb=" O CYS 1 26 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N ILE 1 32 " --> pdb=" O VAL 1 28 " (cutoff:3.500A) removed outlier: 3.838A pdb=" N VAL 1 33 " --> pdb=" O LYS 1 29 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL 1 35 " --> pdb=" O SER 1 31 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N ARG 1 38 " --> pdb=" O PHE 1 34 " (cutoff:3.500A) Processing helix chain '1' and resid 49 through 76 removed outlier: 3.530A pdb=" N GLY 1 54 " --> pdb=" O MET 1 50 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N LEU 1 59 " --> pdb=" O VAL 1 55 " (cutoff:3.500A) Proline residue: 1 66 - end of helix removed outlier: 3.558A pdb=" N ALA 1 71 " --> pdb=" O ILE 1 67 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N TYR 1 72 " --> pdb=" O MET 1 68 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N VAL 1 73 " --> pdb=" O HIS 1 69 " (cutoff:3.500A) Processing helix chain '1' and resid 84 through 96 removed outlier: 3.618A pdb=" N LEU 1 88 " --> pdb=" O ASP 1 84 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N LEU 1 96 " --> pdb=" O VAL 1 92 " (cutoff:3.500A) Processing helix chain '1' and resid 96 through 107 Processing helix chain '1' and resid 108 through 118 removed outlier: 3.863A pdb=" N VAL 1 112 " --> pdb=" O ASP 1 108 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N ALA 1 118 " --> pdb=" O PHE 1 114 " (cutoff:3.500A) Processing helix chain '1' and resid 142 through 183 removed outlier: 3.558A pdb=" N LEU 1 146 " --> pdb=" O SER 1 142 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N LEU 1 147 " --> pdb=" O ILE 1 143 " (cutoff:3.500A) Proline residue: 1 148 - end of helix removed outlier: 3.669A pdb=" N ALA 1 151 " --> pdb=" O LEU 1 147 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N SER 1 153 " --> pdb=" O ALA 1 149 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS 1 156 " --> pdb=" O LEU 1 152 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N ILE 1 161 " --> pdb=" O SER 1 157 " (cutoff:3.500A) Proline residue: 1 168 - end of helix removed outlier: 4.033A pdb=" N VAL 1 171 " --> pdb=" O LEU 1 167 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N SER 1 177 " --> pdb=" O ASP 1 173 " (cutoff:3.500A) Processing helix chain '1' and resid 190 through 204 Proline residue: 1 196 - end of helix removed outlier: 3.734A pdb=" N LEU 1 199 " --> pdb=" O THR 1 195 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N LEU 1 201 " --> pdb=" O ILE 1 197 " (cutoff:3.500A) removed outlier: 5.023A pdb=" N PHE 1 202 " --> pdb=" O LYS 1 198 " (cutoff:3.500A) Processing helix chain '1' and resid 206 through 218 removed outlier: 3.719A pdb=" N SER 1 212 " --> pdb=" O TRP 1 208 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N GLN 1 218 " --> pdb=" O GLY 1 214 " (cutoff:3.500A) Processing helix chain '2' and resid 5 through 21 Proline residue: 2 18 - end of helix Processing helix chain '2' and resid 26 through 41 removed outlier: 4.806A pdb=" N ILE 2 32 " --> pdb=" O VAL 2 28 " (cutoff:3.500A) removed outlier: 3.931A pdb=" N VAL 2 33 " --> pdb=" O LYS 2 29 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N PHE 2 34 " --> pdb=" O PHE 2 30 " (cutoff:3.500A) removed outlier: 4.717A pdb=" N VAL 2 35 " --> pdb=" O SER 2 31 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N ARG 2 38 " --> pdb=" O PHE 2 34 " (cutoff:3.500A) Processing helix chain '2' and resid 50 through 77 removed outlier: 3.798A pdb=" N PHE 2 62 " --> pdb=" O LEU 2 58 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N VAL 2 63 " --> pdb=" O LEU 2 59 " (cutoff:3.500A) Proline residue: 2 66 - end of helix removed outlier: 3.690A pdb=" N ASP 2 70 " --> pdb=" O PRO 2 66 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N ALA 2 71 " --> pdb=" O ILE 2 67 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N TYR 2 74 " --> pdb=" O ASP 2 70 " (cutoff:3.500A) Processing helix chain '2' and resid 84 through 106 removed outlier: 3.925A pdb=" N HIS 2 91 " --> pdb=" O SER 2 87 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N VAL 2 92 " --> pdb=" O LEU 2 88 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N ASP 2 93 " --> pdb=" O SER 2 89 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N GLU 2 94 " --> pdb=" O LYS 2 90 " (cutoff:3.500A) removed outlier: 4.283A pdb=" N GLY 2 98 " --> pdb=" O GLU 2 94 " (cutoff:3.500A) removed outlier: 5.769A pdb=" N TYR 2 99 " --> pdb=" O GLY 2 95 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N ARG 2 100 " --> pdb=" O LEU 2 96 " (cutoff:3.500A) removed outlier: 4.159A pdb=" N TYR 2 102 " --> pdb=" O GLY 2 98 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N TYR 2 106 " --> pdb=" O TYR 2 102 " (cutoff:3.500A) Processing helix chain '2' and resid 108 through 116 removed outlier: 3.567A pdb=" N VAL 2 112 " --> pdb=" O ASP 2 108 " (cutoff:3.500A) Processing helix chain '2' and resid 146 through 165 removed outlier: 3.603A pdb=" N ALA 2 151 " --> pdb=" O LEU 2 147 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N LEU 2 152 " --> pdb=" O PRO 2 148 " (cutoff:3.500A) removed outlier: 3.978A pdb=" N LYS 2 156 " --> pdb=" O LEU 2 152 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N LYS 2 160 " --> pdb=" O LYS 2 156 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N ILE 2 161 " --> pdb=" O SER 2 157 " (cutoff:3.500A) Processing helix chain '2' and resid 166 through 182 removed outlier: 3.693A pdb=" N VAL 2 171 " --> pdb=" O LEU 2 167 " (cutoff:3.500A) removed outlier: 4.338A pdb=" N VAL 2 172 " --> pdb=" O PRO 2 168 " (cutoff:3.500A) removed outlier: 4.582A pdb=" N ASP 2 173 " --> pdb=" O PHE 2 169 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N LEU 2 174 " --> pdb=" O VAL 2 170 " (cutoff:3.500A) Processing helix chain '2' and resid 190 through 206 Proline residue: 2 196 - end of helix removed outlier: 3.630A pdb=" N LEU 2 199 " --> pdb=" O THR 2 195 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N LEU 2 201 " --> pdb=" O ILE 2 197 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N PHE 2 202 " --> pdb=" O LYS 2 198 " (cutoff:3.500A) Processing helix chain '2' and resid 206 through 215 removed outlier: 4.050A pdb=" N SER 2 212 " --> pdb=" O TRP 2 208 " (cutoff:3.500A) Processing helix chain '3' and resid 4 through 16 removed outlier: 3.604A pdb=" N ILE 3 8 " --> pdb=" O ASP 3 4 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N SER 3 14 " --> pdb=" O LEU 3 10 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N LEU 3 16 " --> pdb=" O ALA 3 12 " (cutoff:3.500A) Processing helix chain '3' and resid 16 through 24 removed outlier: 3.834A pdb=" N ALA 3 22 " --> pdb=" O PRO 3 18 " (cutoff:3.500A) Processing helix chain '3' and resid 26 through 42 removed outlier: 4.167A pdb=" N VAL 3 35 " --> pdb=" O SER 3 31 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N ARG 3 38 " --> pdb=" O PHE 3 34 " (cutoff:3.500A) Processing helix chain '3' and resid 50 through 76 removed outlier: 3.729A pdb=" N VAL 3 55 " --> pdb=" O THR 3 51 " (cutoff:3.500A) removed outlier: 4.114A pdb=" N VAL 3 63 " --> pdb=" O LEU 3 59 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N MET 3 64 " --> pdb=" O SER 3 60 " (cutoff:3.500A) Proline residue: 3 66 - end of helix removed outlier: 3.722A pdb=" N ALA 3 71 " --> pdb=" O ILE 3 67 " (cutoff:3.500A) removed outlier: 3.894A pdb=" N TYR 3 72 " --> pdb=" O MET 3 68 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N VAL 3 73 " --> pdb=" O HIS 3 69 " (cutoff:3.500A) Processing helix chain '3' and resid 84 through 96 removed outlier: 3.637A pdb=" N LEU 3 88 " --> pdb=" O ASP 3 84 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N LEU 3 96 " --> pdb=" O VAL 3 92 " (cutoff:3.500A) Processing helix chain '3' and resid 96 through 107 removed outlier: 3.521A pdb=" N TYR 3 102 " --> pdb=" O GLY 3 98 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N LYS 3 105 " --> pdb=" O ASP 3 101 " (cutoff:3.500A) removed outlier: 3.940A pdb=" N TYR 3 106 " --> pdb=" O TYR 3 102 " (cutoff:3.500A) Processing helix chain '3' and resid 108 through 118 removed outlier: 3.595A pdb=" N ALA 3 118 " --> pdb=" O PHE 3 114 " (cutoff:3.500A) Processing helix chain '3' and resid 142 through 145 Processing helix chain '3' and resid 146 through 183 removed outlier: 3.710A pdb=" N LYS 3 156 " --> pdb=" O LEU 3 152 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N TYR 3 164 " --> pdb=" O LYS 3 160 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N LEU 3 165 " --> pdb=" O ILE 3 161 " (cutoff:3.500A) Proline residue: 3 168 - end of helix removed outlier: 4.038A pdb=" N VAL 3 171 " --> pdb=" O LEU 3 167 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N VAL 3 172 " --> pdb=" O PRO 3 168 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N VAL 3 176 " --> pdb=" O VAL 3 172 " (cutoff:3.500A) removed outlier: 3.872A pdb=" N SER 3 177 " --> pdb=" O ASP 3 173 " (cutoff:3.500A) Processing helix chain '3' and resid 190 through 205 removed outlier: 3.575A pdb=" N THR 3 195 " --> pdb=" O VAL 3 191 " (cutoff:3.500A) Proline residue: 3 196 - end of helix removed outlier: 3.609A pdb=" N LEU 3 199 " --> pdb=" O THR 3 195 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N VAL 3 200 " --> pdb=" O PRO 3 196 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LEU 3 201 " --> pdb=" O ILE 3 197 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N PHE 3 202 " --> pdb=" O LYS 3 198 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N LEU 3 205 " --> pdb=" O LEU 3 201 " (cutoff:3.500A) Processing helix chain '3' and resid 206 through 218 removed outlier: 3.751A pdb=" N LEU 3 210 " --> pdb=" O ASP 3 206 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N SER 3 212 " --> pdb=" O TRP 3 208 " (cutoff:3.500A) removed outlier: 3.920A pdb=" N LYS 3 213 " --> pdb=" O THR 3 209 " (cutoff:3.500A) Processing helix chain '4' and resid 4 through 16 removed outlier: 3.555A pdb=" N ILE 4 8 " --> pdb=" O ASP 4 4 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N LEU 4 16 " --> pdb=" O ALA 4 12 " (cutoff:3.500A) Processing helix chain '4' and resid 16 through 24 removed outlier: 3.614A pdb=" N ILE 4 20 " --> pdb=" O LEU 4 16 " (cutoff:3.500A) Processing helix chain '4' and resid 26 through 41 removed outlier: 3.720A pdb=" N PHE 4 30 " --> pdb=" O CYS 4 26 " (cutoff:3.500A) removed outlier: 3.855A pdb=" N ILE 4 32 " --> pdb=" O VAL 4 28 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N VAL 4 33 " --> pdb=" O LYS 4 29 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N LEU 4 41 " --> pdb=" O VAL 4 37 " (cutoff:3.500A) Processing helix chain '4' and resid 49 through 76 removed outlier: 3.768A pdb=" N GLY 4 54 " --> pdb=" O MET 4 50 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N LEU 4 59 " --> pdb=" O VAL 4 55 " (cutoff:3.500A) removed outlier: 3.614A pdb=" N SER 4 60 " --> pdb=" O ALA 4 56 " (cutoff:3.500A) Proline residue: 4 66 - end of helix removed outlier: 3.882A pdb=" N ASP 4 70 " --> pdb=" O PRO 4 66 " (cutoff:3.500A) removed outlier: 4.094A pdb=" N ALA 4 71 " --> pdb=" O ILE 4 67 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N TYR 4 72 " --> pdb=" O MET 4 68 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N VAL 4 73 " --> pdb=" O HIS 4 69 " (cutoff:3.500A) Processing helix chain '4' and resid 84 through 107 removed outlier: 3.707A pdb=" N VAL 4 92 " --> pdb=" O LEU 4 88 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ASP 4 93 " --> pdb=" O SER 4 89 " (cutoff:3.500A) removed outlier: 5.061A pdb=" N GLY 4 98 " --> pdb=" O GLU 4 94 " (cutoff:3.500A) removed outlier: 5.152A pdb=" N TYR 4 99 " --> pdb=" O GLY 4 95 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N TYR 4 102 " --> pdb=" O GLY 4 98 " (cutoff:3.500A) Processing helix chain '4' and resid 108 through 124 removed outlier: 3.532A pdb=" N VAL 4 112 " --> pdb=" O ASP 4 108 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N PHE 4 115 " --> pdb=" O LEU 4 111 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N GLU 4 116 " --> pdb=" O VAL 4 112 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N ASN 4 117 " --> pdb=" O GLN 4 113 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N LYS 4 121 " --> pdb=" O ASN 4 117 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ARG 4 122 " --> pdb=" O ALA 4 118 " (cutoff:3.500A) Processing helix chain '4' and resid 132 through 138 removed outlier: 3.770A pdb=" N LYS 4 135 " --> pdb=" O LYS 4 132 " (cutoff:3.500A) removed outlier: 4.149A pdb=" N GLU 4 137 " --> pdb=" O ASP 4 134 " (cutoff:3.500A) Processing helix chain '4' and resid 146 through 165 removed outlier: 3.977A pdb=" N TYR 4 164 " --> pdb=" O LYS 4 160 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N LEU 4 165 " --> pdb=" O ILE 4 161 " (cutoff:3.500A) Processing helix chain '4' and resid 166 through 183 removed outlier: 3.649A pdb=" N VAL 4 170 " --> pdb=" O TYR 4 166 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N VAL 4 172 " --> pdb=" O PRO 4 168 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N VAL 4 175 " --> pdb=" O VAL 4 171 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N SER 4 177 " --> pdb=" O ASP 4 173 " (cutoff:3.500A) removed outlier: 3.915A pdb=" N LEU 4 181 " --> pdb=" O SER 4 177 " (cutoff:3.500A) Processing helix chain '4' and resid 190 through 204 Proline residue: 4 196 - end of helix removed outlier: 3.655A pdb=" N PHE 4 202 " --> pdb=" O LYS 4 198 " (cutoff:3.500A) Processing helix chain '4' and resid 207 through 218 removed outlier: 4.602A pdb=" N LYS 4 213 " --> pdb=" O THR 4 209 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N ILE 4 216 " --> pdb=" O SER 4 212 " (cutoff:3.500A) Processing helix chain '5' and resid 3 through 24 removed outlier: 3.744A pdb=" N ILE 5 9 " --> pdb=" O LEU 5 5 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N ALA 5 14 " --> pdb=" O HIS 5 10 " (cutoff:3.500A) removed outlier: 3.696A pdb=" N ALA 5 17 " --> pdb=" O VAL 5 13 " (cutoff:3.500A) removed outlier: 4.038A pdb=" N LEU 5 18 " --> pdb=" O ALA 5 14 " (cutoff:3.500A) Processing helix chain '5' and resid 25 through 27 No H-bonds generated for 'chain '5' and resid 25 through 27' Processing helix chain '5' and resid 42 through 55 removed outlier: 3.626A pdb=" N ILE 5 46 " --> pdb=" O PRO 5 42 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N ILE 5 48 " --> pdb=" O ASN 5 44 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N LEU 5 49 " --> pdb=" O ALA 5 45 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N ALA 5 51 " --> pdb=" O ILE 5 47 " (cutoff:3.500A) Processing helix chain '5' and resid 69 through 89 removed outlier: 3.547A pdb=" N LEU 5 75 " --> pdb=" O ILE 5 71 " (cutoff:3.500A) Processing helix chain '5' and resid 89 through 106 removed outlier: 3.868A pdb=" N ARG 5 106 " --> pdb=" O ILE 5 102 " (cutoff:3.500A) Processing helix chain '5' and resid 124 through 140 removed outlier: 3.551A pdb=" N ASN 5 130 " --> pdb=" O ALA 5 126 " (cutoff:3.500A) removed outlier: 4.336A pdb=" N ASN 5 140 " --> pdb=" O VAL 5 136 " (cutoff:3.500A) Processing helix chain '5' and resid 142 through 157 removed outlier: 3.608A pdb=" N VAL 5 149 " --> pdb=" O THR 5 145 " (cutoff:3.500A) removed outlier: 4.271A pdb=" N LEU 5 150 " --> pdb=" O MET 5 146 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N TYR 5 154 " --> pdb=" O LEU 5 150 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLN 5 155 " --> pdb=" O ASN 5 151 " (cutoff:3.500A) Processing helix chain '5' and resid 172 through 183 removed outlier: 3.693A pdb=" N ASN 5 180 " --> pdb=" O GLN 5 176 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N VAL 5 183 " --> pdb=" O GLN 5 179 " (cutoff:3.500A) Processing helix chain '5' and resid 185 through 206 removed outlier: 4.130A pdb=" N VAL 5 189 " --> pdb=" O ALA 5 185 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N LEU 5 190 " --> pdb=" O SER 5 186 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N VAL 5 191 " --> pdb=" O PRO 5 187 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N LEU 5 202 " --> pdb=" O PHE 5 198 " (cutoff:3.500A) Processing helix chain '5' and resid 207 through 209 No H-bonds generated for 'chain '5' and resid 207 through 209' Processing helix chain '5' and resid 210 through 230 removed outlier: 3.999A pdb=" N ILE 5 214 " --> pdb=" O ASN 5 210 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N LEU 5 216 " --> pdb=" O PHE 5 212 " (cutoff:3.500A) removed outlier: 3.866A pdb=" N THR 5 217 " --> pdb=" O ALA 5 213 " (cutoff:3.500A) removed outlier: 4.097A pdb=" N SER 5 220 " --> pdb=" O LEU 5 216 " (cutoff:3.500A) removed outlier: 4.536A pdb=" N GLY 5 221 " --> pdb=" O THR 5 217 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N VAL 5 224 " --> pdb=" O SER 5 220 " (cutoff:3.500A) removed outlier: 4.062A pdb=" N MET 5 227 " --> pdb=" O ALA 5 223 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N LEU 5 229 " --> pdb=" O LEU 5 225 " (cutoff:3.500A) removed outlier: 4.150A pdb=" N TYR 5 230 " --> pdb=" O ILE 5 226 " (cutoff:3.500A) Processing helix chain '5' and resid 230 through 242 removed outlier: 3.725A pdb=" N VAL 5 234 " --> pdb=" O TYR 5 230 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N LEU 5 235 " --> pdb=" O PHE 5 231 " (cutoff:3.500A) Proline residue: 5 236 - end of helix removed outlier: 3.706A pdb=" N VAL 5 239 " --> pdb=" O LEU 5 235 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N LEU 5 240 " --> pdb=" O PRO 5 236 " (cutoff:3.500A) Processing helix chain '5' and resid 245 through 253 removed outlier: 4.182A pdb=" N SER 5 250 " --> pdb=" O THR 5 247 " (cutoff:3.500A) removed outlier: 3.580A pdb=" N TRP 5 252 " --> pdb=" O LEU 5 249 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N PHE 5 253 " --> pdb=" O SER 5 250 " (cutoff:3.500A) Processing helix chain '6' and resid 3 through 19 removed outlier: 3.804A pdb=" N ALA 6 11 " --> pdb=" O ALA 6 7 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LEU 6 12 " --> pdb=" O GLY 6 8 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N VAL 6 15 " --> pdb=" O ALA 6 11 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N LEU 6 16 " --> pdb=" O LEU 6 12 " (cutoff:3.500A) removed outlier: 3.865A pdb=" N ILE 6 17 " --> pdb=" O TYR 6 13 " (cutoff:3.500A) removed outlier: 3.605A pdb=" N SER 6 19 " --> pdb=" O VAL 6 15 " (cutoff:3.500A) Processing helix chain '6' and resid 20 through 27 Processing helix chain '6' and resid 66 through 83 removed outlier: 4.046A pdb=" N VAL 6 70 " --> pdb=" O TRP 6 66 " (cutoff:3.500A) removed outlier: 3.999A pdb=" N LEU 6 71 " --> pdb=" O TYR 6 67 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N LEU 6 72 " --> pdb=" O GLY 6 68 " (cutoff:3.500A) removed outlier: 4.144A pdb=" N SER 6 73 " --> pdb=" O GLU 6 69 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N LEU 6 81 " --> pdb=" O GLN 6 77 " (cutoff:3.500A) Processing helix chain '7' and resid 2 through 25 removed outlier: 3.646A pdb=" N GLY 7 8 " --> pdb=" O LEU 7 4 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N ALA 7 11 " --> pdb=" O ALA 7 7 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N LEU 7 16 " --> pdb=" O LEU 7 12 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N ILE 7 17 " --> pdb=" O TYR 7 13 " (cutoff:3.500A) removed outlier: 4.081A pdb=" N TRP 7 21 " --> pdb=" O ILE 7 17 " (cutoff:3.500A) Proline residue: 7 22 - end of helix removed outlier: 3.649A pdb=" N VAL 7 25 " --> pdb=" O TRP 7 21 " (cutoff:3.500A) Processing helix chain '7' and resid 27 through 37 removed outlier: 3.599A pdb=" N GLY 7 34 " --> pdb=" O GLY 7 30 " (cutoff:3.500A) removed outlier: 3.942A pdb=" N GLN 7 37 " --> pdb=" O VAL 7 33 " (cutoff:3.500A) Processing helix chain '7' and resid 47 through 63 removed outlier: 4.519A pdb=" N ILE 7 51 " --> pdb=" O LEU 7 47 " (cutoff:3.500A) Processing helix chain '7' and resid 63 through 84 removed outlier: 3.631A pdb=" N ILE 7 79 " --> pdb=" O GLY 7 75 " (cutoff:3.500A) Processing helix chain '8' and resid 2 through 41 removed outlier: 3.503A pdb=" N GLY 8 8 " --> pdb=" O LEU 8 4 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N LEU 8 16 " --> pdb=" O LEU 8 12 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N TRP 8 21 " --> pdb=" O ILE 8 17 " (cutoff:3.500A) Proline residue: 8 22 - end of helix removed outlier: 3.679A pdb=" N VAL 8 25 " --> pdb=" O TRP 8 21 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N VAL 8 39 " --> pdb=" O LEU 8 35 " (cutoff:3.500A) removed outlier: 3.926A pdb=" N THR 8 40 " --> pdb=" O PHE 8 36 " (cutoff:3.500A) Processing helix chain '8' and resid 46 through 84 removed outlier: 3.545A pdb=" N ILE 8 51 " --> pdb=" O LEU 8 47 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N LYS 8 52 " --> pdb=" O PRO 8 48 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N LEU 8 54 " --> pdb=" O GLY 8 50 " (cutoff:3.500A) removed outlier: 4.453A pdb=" N GLY 8 65 " --> pdb=" O PHE 8 61 " (cutoff:3.500A) removed outlier: 5.244A pdb=" N TRP 8 66 " --> pdb=" O LEU 8 62 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N GLY 8 68 " --> pdb=" O SER 8 64 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N GLU 8 69 " --> pdb=" O GLY 8 65 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N TYR 8 74 " --> pdb=" O VAL 8 70 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N ARG 8 76 " --> pdb=" O LEU 8 72 " (cutoff:3.500A) removed outlier: 4.011A pdb=" N ALA 8 84 " --> pdb=" O PHE 8 80 " (cutoff:3.500A) Processing helix chain '9' and resid 2 through 19 removed outlier: 3.772A pdb=" N VAL 9 15 " --> pdb=" O ALA 9 11 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N LEU 9 16 " --> pdb=" O LEU 9 12 " (cutoff:3.500A) Processing helix chain '9' and resid 19 through 40 removed outlier: 3.604A pdb=" N ILE 9 29 " --> pdb=" O VAL 9 25 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N GLY 9 30 " --> pdb=" O ALA 9 26 " (cutoff:3.500A) removed outlier: 3.709A pdb=" N VAL 9 33 " --> pdb=" O ILE 9 29 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N GLY 9 34 " --> pdb=" O GLY 9 30 " (cutoff:3.500A) Processing helix chain '9' and resid 48 through 84 removed outlier: 4.049A pdb=" N LEU 9 54 " --> pdb=" O GLY 9 50 " (cutoff:3.500A) removed outlier: 5.059A pdb=" N GLY 9 65 " --> pdb=" O PHE 9 61 " (cutoff:3.500A) removed outlier: 5.390A pdb=" N TRP 9 66 " --> pdb=" O LEU 9 62 " (cutoff:3.500A) removed outlier: 4.169A pdb=" N GLY 9 68 " --> pdb=" O SER 9 64 " (cutoff:3.500A) removed outlier: 5.208A pdb=" N GLU 9 69 " --> pdb=" O GLY 9 65 " (cutoff:3.500A) removed outlier: 4.072A pdb=" N VAL 9 70 " --> pdb=" O TRP 9 66 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N LEU 9 71 " --> pdb=" O TYR 9 67 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N ILE 9 79 " --> pdb=" O GLY 9 75 " (cutoff:3.500A) Processing helix chain 'AM' and resid 64 through 101 removed outlier: 3.602A pdb=" N ALAAM 68 " --> pdb=" O PROAM 64 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N SERAM 75 " --> pdb=" O GLNAM 71 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N TYRAM 77 " --> pdb=" O METAM 73 " (cutoff:3.500A) Processing helix chain 'AN' and resid 32 through 57 removed outlier: 3.860A pdb=" N SERAN 38 " --> pdb=" O LEUAN 34 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N ILEAN 42 " --> pdb=" O SERAN 38 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N ALAAN 43 " --> pdb=" O GLYAN 39 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N THRAN 44 " --> pdb=" O SERAN 40 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N ALAAN 45 " --> pdb=" O ALAAN 41 " (cutoff:3.500A) removed outlier: 3.941A pdb=" N ASPAN 47 " --> pdb=" O ALAAN 43 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ILEAN 51 " --> pdb=" O ASPAN 47 " (cutoff:3.500A) Processing helix chain 'AN' and resid 63 through 101 removed outlier: 3.707A pdb=" N ILEAN 69 " --> pdb=" O LYSAN 65 " (cutoff:3.500A) removed outlier: 4.253A pdb=" N VALAN 95 " --> pdb=" O GLYAN 91 " (cutoff:3.500A) removed outlier: 4.211A pdb=" N GLUAN 96 " --> pdb=" O VALAN 92 " (cutoff:3.500A) removed outlier: 4.735A pdb=" N THRAN 97 " --> pdb=" O GLYAN 93 " (cutoff:3.500A) removed outlier: 4.291A pdb=" N LEUAN 98 " --> pdb=" O ALAAN 94 " (cutoff:3.500A) Processing helix chain 'AO' and resid 29 through 57 removed outlier: 3.546A pdb=" N LEUAO 33 " --> pdb=" O LEUAO 29 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N ALAAO 36 " --> pdb=" O ARGAO 32 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N GLNAO 49 " --> pdb=" O ALAAO 45 " (cutoff:3.500A) removed outlier: 4.134A pdb=" N ILEAO 51 " --> pdb=" O ASPAO 47 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N THRAO 52 " --> pdb=" O LYSAO 48 " (cutoff:3.500A) Processing helix chain 'AO' and resid 63 through 101 removed outlier: 3.511A pdb=" N SERAO 70 " --> pdb=" O GLUAO 66 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N ILEAO 74 " --> pdb=" O SERAO 70 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N SERAO 75 " --> pdb=" O GLNAO 71 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N TYRAO 80 " --> pdb=" O ASPAO 76 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N THRAO 88 " --> pdb=" O VALAO 84 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N VALAO 95 " --> pdb=" O GLYAO 91 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N LEUAO 98 " --> pdb=" O ALAAO 94 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N LEUAO 99 " --> pdb=" O VALAO 95 " (cutoff:3.500A) Processing helix chain 'AP' and resid 28 through 57 removed outlier: 3.897A pdb=" N GLNAP 35 " --> pdb=" O ASPAP 31 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N ILEAP 42 " --> pdb=" O SERAP 38 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N ALAAP 43 " --> pdb=" O GLYAP 39 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N LYSAP 48 " --> pdb=" O THRAP 44 " (cutoff:3.500A) Processing helix chain 'AP' and resid 63 through 101 removed outlier: 3.876A pdb=" N LEUAP 67 " --> pdb=" O ASPAP 63 " (cutoff:3.500A) removed outlier: 4.240A pdb=" N ALAAP 68 " --> pdb=" O PROAP 64 " (cutoff:3.500A) removed outlier: 4.039A pdb=" N ILEAP 69 " --> pdb=" O LYSAP 65 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N VALAP 81 " --> pdb=" O TYRAP 77 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N LEUAP 87 " --> pdb=" O METAP 83 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N LEUAP 98 " --> pdb=" O ALAAP 94 " (cutoff:3.500A) Processing helix chain 'AQ' and resid 29 through 57 removed outlier: 3.700A pdb=" N LEUAQ 33 " --> pdb=" O LEUAQ 29 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N ALAAQ 43 " --> pdb=" O GLYAQ 39 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ASPAQ 47 " --> pdb=" O ALAAQ 43 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N LYSAQ 48 " --> pdb=" O THRAQ 44 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N GLNAQ 49 " --> pdb=" O ALAAQ 45 " (cutoff:3.500A) Processing helix chain 'AQ' and resid 63 through 100 removed outlier: 3.514A pdb=" N ALAAQ 68 " --> pdb=" O PROAQ 64 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N ILEAQ 69 " --> pdb=" O LYSAQ 65 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N GLUAQ 72 " --> pdb=" O ALAAQ 68 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N ILEAQ 74 " --> pdb=" O SERAQ 70 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N SERAQ 75 " --> pdb=" O GLNAQ 71 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N VALAQ 81 " --> pdb=" O TYRAQ 77 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N SERAQ 82 " --> pdb=" O ASNAQ 78 " (cutoff:3.500A) removed outlier: 3.672A pdb=" N LEUAQ 98 " --> pdb=" O ALAAQ 94 " (cutoff:3.500A) Processing helix chain 'AR' and resid 29 through 57 removed outlier: 3.850A pdb=" N ILEAR 42 " --> pdb=" O SERAR 38 " (cutoff:3.500A) removed outlier: 4.114A pdb=" N ALAAR 43 " --> pdb=" O GLYAR 39 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N VALAR 46 " --> pdb=" O ILEAR 42 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N THRAR 52 " --> pdb=" O LYSAR 48 " (cutoff:3.500A) removed outlier: 4.018A pdb=" N ARGAR 54 " --> pdb=" O THRAR 50 " (cutoff:3.500A) Processing helix chain 'AR' and resid 57 through 63 removed outlier: 3.776A pdb=" N VALAR 61 " --> pdb=" O ASPAR 57 " (cutoff:3.500A) removed outlier: 4.295A pdb=" N ASPAR 63 " --> pdb=" O ASNAR 59 " (cutoff:3.500A) Processing helix chain 'AR' and resid 63 through 101 removed outlier: 3.624A pdb=" N ILEAR 69 " --> pdb=" O LYSAR 65 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N VALAR 81 " --> pdb=" O TYRAR 77 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N SERAR 82 " --> pdb=" O ASNAR 78 " (cutoff:3.500A) removed outlier: 3.880A pdb=" N LEUAR 87 " --> pdb=" O METAR 83 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N THRAR 97 " --> pdb=" O GLYAR 93 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N LEUAR 98 " --> pdb=" O ALAAR 94 " (cutoff:3.500A) removed outlier: 4.544A pdb=" N SERAR 101 " --> pdb=" O THRAR 97 " (cutoff:3.500A) Processing helix chain 'AS' and resid 23 through 28 Processing helix chain 'AS' and resid 30 through 37 removed outlier: 3.953A pdb=" N LEUAS 34 " --> pdb=" O ALAAS 30 " (cutoff:3.500A) Processing helix chain 'AS' and resid 40 through 80 removed outlier: 3.518A pdb=" N LEUAS 44 " --> pdb=" O ASPAS 40 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N GLUAS 53 " --> pdb=" O SERAS 49 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N ASNAS 59 " --> pdb=" O ASNAS 55 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N ALAAS 60 " --> pdb=" O LEUAS 56 " (cutoff:3.500A) removed outlier: 3.581A pdb=" N VALAS 67 " --> pdb=" O ASNAS 63 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N PHEAS 68 " --> pdb=" O THRAS 64 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N ASPAS 72 " --> pdb=" O PHEAS 68 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N ILEAS 75 " --> pdb=" O ILEAS 71 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N ILEAS 76 " --> pdb=" O ASPAS 72 " (cutoff:3.500A) Processing helix chain 'AT' and resid 23 through 29 Processing helix chain 'AT' and resid 30 through 37 removed outlier: 3.697A pdb=" N LEUAT 34 " --> pdb=" O ALAAT 30 " (cutoff:3.500A) Processing helix chain 'AT' and resid 40 through 80 removed outlier: 3.568A pdb=" N ALAAT 45 " --> pdb=" O PROAT 41 " (cutoff:3.500A) removed outlier: 3.916A pdb=" N GLUAT 53 " --> pdb=" O SERAT 49 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N ASNAT 59 " --> pdb=" O ASNAT 55 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N ALAAT 60 " --> pdb=" O LEUAT 56 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N VALAT 67 " --> pdb=" O ASNAT 63 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N PHEAT 68 " --> pdb=" O THRAT 64 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N ASPAT 72 " --> pdb=" O PHEAT 68 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N ILEAT 75 " --> pdb=" O ILEAT 71 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N ILEAT 76 " --> pdb=" O ASPAT 72 " (cutoff:3.500A) Processing helix chain 'AU' and resid 23 through 29 Processing helix chain 'AU' and resid 30 through 37 removed outlier: 3.872A pdb=" N LEUAU 34 " --> pdb=" O ALAAU 30 " (cutoff:3.500A) Processing helix chain 'AU' and resid 40 through 80 removed outlier: 3.589A pdb=" N LEUAU 44 " --> pdb=" O ASPAU 40 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N ALAAU 45 " --> pdb=" O PROAU 41 " (cutoff:3.500A) removed outlier: 3.795A pdb=" N GLUAU 53 " --> pdb=" O SERAU 49 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N ASNAU 59 " --> pdb=" O ASNAU 55 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N ALAAU 60 " --> pdb=" O LEUAU 56 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N LYSAU 66 " --> pdb=" O SERAU 62 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N VALAU 67 " --> pdb=" O ASNAU 63 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N PHEAU 68 " --> pdb=" O THRAU 64 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N ASPAU 72 " --> pdb=" O PHEAU 68 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ILEAU 75 " --> pdb=" O ILEAU 71 " (cutoff:3.500A) removed outlier: 4.033A pdb=" N ILEAU 76 " --> pdb=" O ASPAU 72 " (cutoff:3.500A) Processing helix chain 'AV' and resid 23 through 29 Processing helix chain 'AV' and resid 30 through 37 removed outlier: 3.838A pdb=" N LEUAV 34 " --> pdb=" O ALAAV 30 " (cutoff:3.500A) Processing helix chain 'AV' and resid 40 through 80 removed outlier: 3.538A pdb=" N LEUAV 44 " --> pdb=" O ASPAV 40 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ALAAV 45 " --> pdb=" O PROAV 41 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N GLUAV 53 " --> pdb=" O SERAV 49 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N ASNAV 59 " --> pdb=" O ASNAV 55 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ALAAV 60 " --> pdb=" O LEUAV 56 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N LYSAV 66 " --> pdb=" O SERAV 62 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N VALAV 67 " --> pdb=" O ASNAV 63 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N PHEAV 68 " --> pdb=" O THRAV 64 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N ASPAV 72 " --> pdb=" O PHEAV 68 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N ILEAV 75 " --> pdb=" O ILEAV 71 " (cutoff:3.500A) removed outlier: 4.031A pdb=" N ILEAV 76 " --> pdb=" O ASPAV 72 " (cutoff:3.500A) Processing helix chain 'AW' and resid 23 through 28 Processing helix chain 'AW' and resid 30 through 37 removed outlier: 3.745A pdb=" N LEUAW 34 " --> pdb=" O ALAAW 30 " (cutoff:3.500A) Processing helix chain 'AW' and resid 40 through 80 removed outlier: 3.711A pdb=" N LEUAW 44 " --> pdb=" O ASPAW 40 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N ALAAW 45 " --> pdb=" O PROAW 41 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N GLUAW 53 " --> pdb=" O SERAW 49 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ASNAW 59 " --> pdb=" O ASNAW 55 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ALAAW 60 " --> pdb=" O LEUAW 56 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N LYSAW 66 " --> pdb=" O SERAW 62 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N VALAW 67 " --> pdb=" O ASNAW 63 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N PHEAW 68 " --> pdb=" O THRAW 64 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N ASPAW 72 " --> pdb=" O PHEAW 68 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N ILEAW 75 " --> pdb=" O ILEAW 71 " (cutoff:3.500A) removed outlier: 4.155A pdb=" N ILEAW 76 " --> pdb=" O ASPAW 72 " (cutoff:3.500A) Processing helix chain 'AX' and resid 10 through 20 removed outlier: 4.778A pdb=" N PHEAX 16 " --> pdb=" O VALAX 12 " (cutoff:3.500A) removed outlier: 3.865A pdb=" N ASPAX 17 " --> pdb=" O SERAX 13 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N VALAX 20 " --> pdb=" O PHEAX 16 " (cutoff:3.500A) Processing helix chain 'AX' and resid 22 through 37 removed outlier: 3.892A pdb=" N THRAX 28 " --> pdb=" O GLNAX 24 " (cutoff:3.500A) Processing helix chain 'AX' and resid 40 through 78 removed outlier: 4.193A pdb=" N GLUAX 53 " --> pdb=" O SERAX 49 " (cutoff:3.500A) removed outlier: 3.916A pdb=" N TYRAX 54 " --> pdb=" O LYSAX 50 " (cutoff:3.500A) removed outlier: 3.832A pdb=" N ASNAX 55 " --> pdb=" O LEUAX 51 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N LEUAX 56 " --> pdb=" O SERAX 52 " (cutoff:3.500A) removed outlier: 4.377A pdb=" N THRAX 64 " --> pdb=" O ALAAX 60 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N VALAX 65 " --> pdb=" O GLNAX 61 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ASNAX 78 " --> pdb=" O ALAAX 74 " (cutoff:3.500A) Processing helix chain 'AY' and resid 7 through 20 Processing helix chain 'AY' and resid 22 through 35 removed outlier: 3.646A pdb=" N VALAY 27 " --> pdb=" O LEUAY 23 " (cutoff:3.500A) removed outlier: 4.927A pdb=" N THRAY 28 " --> pdb=" O GLNAY 24 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N ALAAY 35 " --> pdb=" O LEUAY 31 " (cutoff:3.500A) Processing helix chain 'AY' and resid 40 through 78 removed outlier: 3.637A pdb=" N ALAAY 45 " --> pdb=" O PROAY 41 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N ALAAY 46 " --> pdb=" O ALAAY 42 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N SERAY 52 " --> pdb=" O GLNAY 48 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N GLUAY 53 " --> pdb=" O SERAY 49 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N SERAY 62 " --> pdb=" O ARGAY 58 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N THRAY 64 " --> pdb=" O ALAAY 60 " (cutoff:3.500A) removed outlier: 4.406A pdb=" N VALAY 65 " --> pdb=" O GLNAY 61 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N LYSAY 66 " --> pdb=" O SERAY 62 " (cutoff:3.500A) removed outlier: 4.011A pdb=" N ILEAY 71 " --> pdb=" O VALAY 67 " (cutoff:3.500A) removed outlier: 4.521A pdb=" N ASPAY 72 " --> pdb=" O PHEAY 68 " (cutoff:3.500A) Processing helix chain 'AZ' and resid 7 through 19 removed outlier: 3.633A pdb=" N PHEAZ 16 " --> pdb=" O VALAZ 12 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N ASPAZ 17 " --> pdb=" O SERAZ 13 " (cutoff:3.500A) Processing helix chain 'AZ' and resid 22 through 27 removed outlier: 3.834A pdb=" N VALAZ 27 " --> pdb=" O LEUAZ 23 " (cutoff:3.500A) Processing helix chain 'AZ' and resid 52 through 72 removed outlier: 3.586A pdb=" N ARGAZ 58 " --> pdb=" O TYRAZ 54 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N GLNAZ 61 " --> pdb=" O TYRAZ 57 " (cutoff:3.500A) removed outlier: 4.324A pdb=" N ASPAZ 72 " --> pdb=" O PHEAZ 68 " (cutoff:3.500A) Processing helix chain 'AZ' and resid 72 through 78 removed outlier: 3.549A pdb=" N GLNAZ 77 " --> pdb=" O ALAAZ 73 " (cutoff:3.500A) Processing helix chain 'BA' and resid 7 through 20 removed outlier: 3.744A pdb=" N PHEBA 16 " --> pdb=" O VALBA 12 " (cutoff:3.500A) removed outlier: 3.900A pdb=" N ASPBA 17 " --> pdb=" O SERBA 13 " (cutoff:3.500A) removed outlier: 4.026A pdb=" N VALBA 20 " --> pdb=" O PHEBA 16 " (cutoff:3.500A) Processing helix chain 'BA' and resid 52 through 78 removed outlier: 3.625A pdb=" N VALBA 65 " --> pdb=" O GLNBA 61 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N LYSBA 66 " --> pdb=" O SERBA 62 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N ASPBA 70 " --> pdb=" O LYSBA 66 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N ASPBA 72 " --> pdb=" O PHEBA 68 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N ALABA 73 " --> pdb=" O LYSBA 69 " (cutoff:3.500A) removed outlier: 4.307A pdb=" N ILEBA 75 " --> pdb=" O ILEBA 71 " (cutoff:3.500A) Processing helix chain 'BB' and resid 7 through 18 removed outlier: 3.616A pdb=" N PHEBB 16 " --> pdb=" O VALBB 12 " (cutoff:3.500A) removed outlier: 4.103A pdb=" N THRBB 18 " --> pdb=" O ALABB 14 " (cutoff:3.500A) Processing helix chain 'BB' and resid 52 through 56 Processing helix chain 'BB' and resid 56 through 70 removed outlier: 3.925A pdb=" N ALABB 60 " --> pdb=" O LEUBB 56 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N GLNBB 61 " --> pdb=" O TYRBB 57 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N SERBB 62 " --> pdb=" O ARGBB 58 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N ASNBB 63 " --> pdb=" O ASNBB 59 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N VALBB 65 " --> pdb=" O GLNBB 61 " (cutoff:3.500A) removed outlier: 4.034A pdb=" N ASPBB 70 " --> pdb=" O LYSBB 66 " (cutoff:3.500A) Processing helix chain 'BB' and resid 72 through 78 Processing helix chain 'BC' and resid 7 through 18 Processing helix chain 'BC' and resid 52 through 77 removed outlier: 3.689A pdb=" N LEUBC 56 " --> pdb=" O SERBC 52 " (cutoff:3.500A) removed outlier: 3.593A pdb=" N GLNBC 61 " --> pdb=" O TYRBC 57 " (cutoff:3.500A) removed outlier: 4.080A pdb=" N ASNBC 63 " --> pdb=" O ASNBC 59 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N THRBC 64 " --> pdb=" O ALABC 60 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N VALBC 65 " --> pdb=" O GLNBC 61 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N LYSBC 66 " --> pdb=" O SERBC 62 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N ASPBC 72 " --> pdb=" O PHEBC 68 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N ILEBC 75 " --> pdb=" O ILEBC 71 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ILEBC 76 " --> pdb=" O ASPBC 72 " (cutoff:3.500A) removed outlier: 4.224A pdb=" N GLNBC 77 " --> pdb=" O ALABC 73 " (cutoff:3.500A) Processing helix chain 'BD' and resid 7 through 19 removed outlier: 3.571A pdb=" N SERBD 13 " --> pdb=" O LEUBD 9 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N PHEBD 16 " --> pdb=" O VALBD 12 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N ASPBD 17 " --> pdb=" O SERBD 13 " (cutoff:3.500A) Processing helix chain 'BD' and resid 52 through 74 removed outlier: 3.825A pdb=" N TYRBD 57 " --> pdb=" O GLUBD 53 " (cutoff:3.500A) removed outlier: 4.206A pdb=" N ALABD 60 " --> pdb=" O LEUBD 56 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N ASNBD 63 " --> pdb=" O ASNBD 59 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N THRBD 64 " --> pdb=" O ALABD 60 " (cutoff:3.500A) removed outlier: 4.277A pdb=" N ASPBD 72 " --> pdb=" O PHEBD 68 " (cutoff:3.500A) Processing helix chain 'BE' and resid 7 through 19 removed outlier: 3.721A pdb=" N SERBE 13 " --> pdb=" O LEUBE 9 " (cutoff:3.500A) Processing helix chain 'BE' and resid 56 through 78 removed outlier: 3.777A pdb=" N SERBE 62 " --> pdb=" O ARGBE 58 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N ASNBE 63 " --> pdb=" O ASNBE 59 " (cutoff:3.500A) removed outlier: 4.115A pdb=" N LYSBE 66 " --> pdb=" O SERBE 62 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N PHEBE 68 " --> pdb=" O THRBE 64 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N ASPBE 70 " --> pdb=" O LYSBE 66 " (cutoff:3.500A) removed outlier: 4.251A pdb=" N ALABE 73 " --> pdb=" O LYSBE 69 " (cutoff:3.500A) removed outlier: 4.154A pdb=" N ILEBE 76 " --> pdb=" O ASPBE 72 " (cutoff:3.500A) Processing sheet with id=AA1, first strand: chain 'AA' and resid 21 through 27 removed outlier: 5.624A pdb=" N ASPAA 22 " --> pdb=" O VALAA 60 " (cutoff:3.500A) removed outlier: 6.607A pdb=" N VALAA 60 " --> pdb=" O ASPAA 22 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N LEUAA 24 " --> pdb=" O ILEAA 58 " (cutoff:3.500A) removed outlier: 5.642A pdb=" N TYRAA 56 " --> pdb=" O GLYAA 26 " (cutoff:3.500A) Processing sheet with id=AA2, first strand: chain 'AA' and resid 123 through 130 removed outlier: 6.848A pdb=" N VALAA 153 " --> pdb=" O LEUAA 124 " (cutoff:3.500A) removed outlier: 4.566A pdb=" N ALAAA 126 " --> pdb=" O LEUAA 151 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LEUAA 151 " --> pdb=" O ALAAA 126 " (cutoff:3.500A) removed outlier: 4.548A pdb=" N VALAA 128 " --> pdb=" O SERAA 149 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N SERAA 149 " --> pdb=" O VALAA 128 " (cutoff:3.500A) Processing sheet with id=AA3, first strand: chain 'AB' and resid 22 through 27 removed outlier: 3.807A pdb=" N LEUAB 24 " --> pdb=" O ILEAB 58 " (cutoff:3.500A) removed outlier: 5.644A pdb=" N TYRAB 56 " --> pdb=" O GLYAB 26 " (cutoff:3.500A) Processing sheet with id=AA4, first strand: chain 'AB' and resid 123 through 130 removed outlier: 6.755A pdb=" N VALAB 153 " --> pdb=" O LEUAB 124 " (cutoff:3.500A) removed outlier: 4.347A pdb=" N ALAAB 126 " --> pdb=" O LEUAB 151 " (cutoff:3.500A) removed outlier: 6.492A pdb=" N LEUAB 151 " --> pdb=" O ALAAB 126 " (cutoff:3.500A) removed outlier: 4.402A pdb=" N VALAB 128 " --> pdb=" O SERAB 149 " (cutoff:3.500A) removed outlier: 6.560A pdb=" N SERAB 149 " --> pdb=" O VALAB 128 " (cutoff:3.500A) removed outlier: 7.038A pdb=" N LEUAB 148 " --> pdb=" O SERAB 184 " (cutoff:3.500A) removed outlier: 8.495A pdb=" N VALAB 186 " --> pdb=" O LEUAB 148 " (cutoff:3.500A) removed outlier: 6.603A pdb=" N ALAAB 150 " --> pdb=" O VALAB 186 " (cutoff:3.500A) removed outlier: 8.250A pdb=" N SERAB 188 " --> pdb=" O ALAAB 150 " (cutoff:3.500A) removed outlier: 6.469A pdb=" N ALAAB 152 " --> pdb=" O SERAB 188 " (cutoff:3.500A) Processing sheet with id=AA5, first strand: chain 'AC' and resid 21 through 27 removed outlier: 5.403A pdb=" N ASPAC 22 " --> pdb=" O VALAC 60 " (cutoff:3.500A) removed outlier: 6.469A pdb=" N VALAC 60 " --> pdb=" O ASPAC 22 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N LEUAC 24 " --> pdb=" O ILEAC 58 " (cutoff:3.500A) removed outlier: 5.786A pdb=" N TYRAC 56 " --> pdb=" O GLYAC 26 " (cutoff:3.500A) Processing sheet with id=AA6, first strand: chain 'AC' and resid 123 through 130 removed outlier: 6.774A pdb=" N VALAC 153 " --> pdb=" O LEUAC 124 " (cutoff:3.500A) removed outlier: 4.190A pdb=" N ALAAC 126 " --> pdb=" O LEUAC 151 " (cutoff:3.500A) removed outlier: 6.440A pdb=" N LEUAC 151 " --> pdb=" O ALAAC 126 " (cutoff:3.500A) removed outlier: 4.373A pdb=" N VALAC 128 " --> pdb=" O SERAC 149 " (cutoff:3.500A) removed outlier: 6.582A pdb=" N SERAC 149 " --> pdb=" O VALAC 128 " (cutoff:3.500A) removed outlier: 7.046A pdb=" N LEUAC 148 " --> pdb=" O SERAC 184 " (cutoff:3.500A) removed outlier: 8.476A pdb=" N VALAC 186 " --> pdb=" O LEUAC 148 " (cutoff:3.500A) removed outlier: 6.371A pdb=" N ALAAC 150 " --> pdb=" O VALAC 186 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N SERAC 188 " --> pdb=" O ALAAC 150 " (cutoff:3.500A) removed outlier: 6.201A pdb=" N ALAAC 152 " --> pdb=" O SERAC 188 " (cutoff:3.500A) Processing sheet with id=AA7, first strand: chain 'AD' and resid 21 through 27 removed outlier: 7.262A pdb=" N ILEAD 58 " --> pdb=" O LEUAD 23 " (cutoff:3.500A) removed outlier: 4.983A pdb=" N LYSAD 25 " --> pdb=" O TYRAD 56 " (cutoff:3.500A) removed outlier: 6.938A pdb=" N TYRAD 56 " --> pdb=" O LYSAD 25 " (cutoff:3.500A) Processing sheet with id=AA8, first strand: chain 'AD' and resid 123 through 130 removed outlier: 3.778A pdb=" N SERAD 125 " --> pdb=" O VALAD 153 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N SERAD 184 " --> pdb=" O LEUAD 148 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N ALAAD 152 " --> pdb=" O VALAD 186 " (cutoff:3.500A) Processing sheet with id=AA9, first strand: chain 'AE' and resid 21 through 27 removed outlier: 5.238A pdb=" N ASPAE 22 " --> pdb=" O VALAE 60 " (cutoff:3.500A) removed outlier: 6.573A pdb=" N VALAE 60 " --> pdb=" O ASPAE 22 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N LEUAE 24 " --> pdb=" O ILEAE 58 " (cutoff:3.500A) removed outlier: 5.279A pdb=" N TYRAE 56 " --> pdb=" O GLYAE 26 " (cutoff:3.500A) Processing sheet with id=AB1, first strand: chain 'AE' and resid 123 through 130 removed outlier: 6.683A pdb=" N VALAE 153 " --> pdb=" O LEUAE 124 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N ALAAE 126 " --> pdb=" O LEUAE 151 " (cutoff:3.500A) removed outlier: 6.467A pdb=" N LEUAE 151 " --> pdb=" O ALAAE 126 " (cutoff:3.500A) removed outlier: 4.613A pdb=" N VALAE 128 " --> pdb=" O SERAE 149 " (cutoff:3.500A) removed outlier: 6.637A pdb=" N SERAE 149 " --> pdb=" O VALAE 128 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N ALAAE 152 " --> pdb=" O VALAE 186 " (cutoff:3.500A) Processing sheet with id=AB2, first strand: chain 'AF' and resid 22 through 25 removed outlier: 5.577A pdb=" N ASPAF 22 " --> pdb=" O VALAF 60 " (cutoff:3.500A) removed outlier: 6.785A pdb=" N VALAF 60 " --> pdb=" O ASPAF 22 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N LEUAF 24 " --> pdb=" O ILEAF 58 " (cutoff:3.500A) Processing sheet with id=AB3, first strand: chain 'AF' and resid 123 through 130 removed outlier: 6.804A pdb=" N VALAF 153 " --> pdb=" O LEUAF 124 " (cutoff:3.500A) removed outlier: 4.533A pdb=" N ALAAF 126 " --> pdb=" O LEUAF 151 " (cutoff:3.500A) removed outlier: 6.662A pdb=" N LEUAF 151 " --> pdb=" O ALAAF 126 " (cutoff:3.500A) removed outlier: 4.616A pdb=" N VALAF 128 " --> pdb=" O SERAF 149 " (cutoff:3.500A) removed outlier: 6.644A pdb=" N SERAF 149 " --> pdb=" O VALAF 128 " (cutoff:3.500A) removed outlier: 7.126A pdb=" N LEUAF 148 " --> pdb=" O SERAF 184 " (cutoff:3.500A) removed outlier: 8.602A pdb=" N VALAF 186 " --> pdb=" O LEUAF 148 " (cutoff:3.500A) removed outlier: 6.575A pdb=" N ALAAF 150 " --> pdb=" O VALAF 186 " (cutoff:3.500A) removed outlier: 8.091A pdb=" N SERAF 188 " --> pdb=" O ALAAF 150 " (cutoff:3.500A) removed outlier: 6.286A pdb=" N ALAAF 152 " --> pdb=" O SERAF 188 " (cutoff:3.500A) Processing sheet with id=AB4, first strand: chain 'AG' and resid 21 through 27 removed outlier: 7.235A pdb=" N LEUAG 23 " --> pdb=" O VALAG 60 " (cutoff:3.500A) removed outlier: 8.873A pdb=" N VALAG 60 " --> pdb=" O LEUAG 23 " (cutoff:3.500A) removed outlier: 6.219A pdb=" N LYSAG 25 " --> pdb=" O ILEAG 58 " (cutoff:3.500A) removed outlier: 7.485A pdb=" N ILEAG 58 " --> pdb=" O LYSAG 25 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N LEUAG 27 " --> pdb=" O TYRAG 56 " (cutoff:3.500A) Processing sheet with id=AB5, first strand: chain 'AG' and resid 123 through 130 removed outlier: 6.688A pdb=" N VALAG 153 " --> pdb=" O LEUAG 124 " (cutoff:3.500A) removed outlier: 4.399A pdb=" N ALAAG 126 " --> pdb=" O LEUAG 151 " (cutoff:3.500A) removed outlier: 6.565A pdb=" N LEUAG 151 " --> pdb=" O ALAAG 126 " (cutoff:3.500A) removed outlier: 4.314A pdb=" N VALAG 128 " --> pdb=" O SERAG 149 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N SERAG 149 " --> pdb=" O VALAG 128 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N SERAG 184 " --> pdb=" O LEUAG 148 " (cutoff:3.500A) Processing sheet with id=AB6, first strand: chain 'AH' and resid 21 through 27 removed outlier: 5.350A pdb=" N ASPAH 22 " --> pdb=" O VALAH 60 " (cutoff:3.500A) removed outlier: 6.427A pdb=" N VALAH 60 " --> pdb=" O ASPAH 22 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N LEUAH 24 " --> pdb=" O ILEAH 58 " (cutoff:3.500A) removed outlier: 5.449A pdb=" N TYRAH 56 " --> pdb=" O GLYAH 26 " (cutoff:3.500A) Processing sheet with id=AB7, first strand: chain 'AH' and resid 123 through 130 removed outlier: 3.750A pdb=" N SERAH 125 " --> pdb=" O VALAH 153 " (cutoff:3.500A) removed outlier: 7.179A pdb=" N LEUAH 148 " --> pdb=" O SERAH 184 " (cutoff:3.500A) removed outlier: 8.539A pdb=" N VALAH 186 " --> pdb=" O LEUAH 148 " (cutoff:3.500A) removed outlier: 6.486A pdb=" N ALAAH 150 " --> pdb=" O VALAH 186 " (cutoff:3.500A) removed outlier: 7.953A pdb=" N SERAH 188 " --> pdb=" O ALAAH 150 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N ALAAH 152 " --> pdb=" O SERAH 188 " (cutoff:3.500A) Processing sheet with id=AB8, first strand: chain 'AI' and resid 22 through 27 removed outlier: 4.024A pdb=" N LEUAI 24 " --> pdb=" O ILEAI 58 " (cutoff:3.500A) removed outlier: 5.350A pdb=" N TYRAI 56 " --> pdb=" O GLYAI 26 " (cutoff:3.500A) Processing sheet with id=AB9, first strand: chain 'AI' and resid 123 through 130 removed outlier: 3.784A pdb=" N SERAI 125 " --> pdb=" O VALAI 153 " (cutoff:3.500A) removed outlier: 7.059A pdb=" N LEUAI 148 " --> pdb=" O SERAI 184 " (cutoff:3.500A) removed outlier: 8.546A pdb=" N VALAI 186 " --> pdb=" O LEUAI 148 " (cutoff:3.500A) removed outlier: 6.380A pdb=" N ALAAI 150 " --> pdb=" O VALAI 186 " (cutoff:3.500A) removed outlier: 8.073A pdb=" N SERAI 188 " --> pdb=" O ALAAI 150 " (cutoff:3.500A) removed outlier: 6.219A pdb=" N ALAAI 152 " --> pdb=" O SERAI 188 " (cutoff:3.500A) Processing sheet with id=AC1, first strand: chain 'A' and resid 35 through 40 removed outlier: 5.738A pdb=" N ILE A 68 " --> pdb=" O ASP A 39 " (cutoff:3.500A) removed outlier: 6.837A pdb=" N LYS A 67 " --> pdb=" O TRP X 386 " (cutoff:3.500A) removed outlier: 8.211A pdb=" N PHE X 388 " --> pdb=" O LYS A 67 " (cutoff:3.500A) removed outlier: 6.879A pdb=" N THR A 69 " --> pdb=" O PHE X 388 " (cutoff:3.500A) removed outlier: 6.404A pdb=" N HIS X 385 " --> pdb=" O MET X 381 " (cutoff:3.500A) removed outlier: 4.035A pdb=" N SER X 370 " --> pdb=" O LYS X 380 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N GLY Q 34 " --> pdb=" O TYR X 373 " (cutoff:3.500A) removed outlier: 5.742A pdb=" N ILE Q 68 " --> pdb=" O ASP Q 39 " (cutoff:3.500A) removed outlier: 6.846A pdb=" N LYS Q 67 " --> pdb=" O TRP V 386 " (cutoff:3.500A) removed outlier: 8.622A pdb=" N PHE V 388 " --> pdb=" O LYS Q 67 " (cutoff:3.500A) removed outlier: 7.660A pdb=" N THR Q 69 " --> pdb=" O PHE V 388 " (cutoff:3.500A) removed outlier: 6.577A pdb=" N HIS V 385 " --> pdb=" O MET V 381 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N MET V 381 " --> pdb=" O HIS V 385 " (cutoff:3.500A) removed outlier: 3.969A pdb=" N SER V 370 " --> pdb=" O LYS V 380 " (cutoff:3.500A) Processing sheet with id=AC2, first strand: chain 'A' and resid 57 through 59 Processing sheet with id=AC3, first strand: chain 'A' and resid 108 through 113 removed outlier: 3.683A pdb=" N ARG A 108 " --> pdb=" O GLY A 151 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N GLY A 151 " --> pdb=" O ARG A 108 " (cutoff:3.500A) Processing sheet with id=AC4, first strand: chain 'Y' and resid 379 through 382 removed outlier: 6.329A pdb=" N HIS Y 385 " --> pdb=" O MET Y 381 " (cutoff:3.500A) removed outlier: 6.658A pdb=" N LYS B 67 " --> pdb=" O TRP Y 386 " (cutoff:3.500A) removed outlier: 8.385A pdb=" N PHE Y 388 " --> pdb=" O LYS B 67 " (cutoff:3.500A) removed outlier: 7.497A pdb=" N THR B 69 " --> pdb=" O PHE Y 388 " (cutoff:3.500A) removed outlier: 6.119A pdb=" N ILE B 68 " --> pdb=" O ASP B 39 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N ASP B 39 " --> pdb=" O ILE B 68 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N GLY B 34 " --> pdb=" O TYR a 373 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N SER a 370 " --> pdb=" O LYS a 380 " (cutoff:3.500A) removed outlier: 6.384A pdb=" N HIS a 385 " --> pdb=" O MET a 381 " (cutoff:3.500A) removed outlier: 6.752A pdb=" N LYS C 67 " --> pdb=" O TRP a 386 " (cutoff:3.500A) removed outlier: 8.168A pdb=" N PHE a 388 " --> pdb=" O LYS C 67 " (cutoff:3.500A) removed outlier: 6.714A pdb=" N THR C 69 " --> pdb=" O PHE a 388 " (cutoff:3.500A) removed outlier: 6.038A pdb=" N ILE C 68 " --> pdb=" O ASP C 39 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N PHE b 371 " --> pdb=" O VAL C 36 " (cutoff:3.500A) Processing sheet with id=AC5, first strand: chain 'B' and resid 57 through 59 Processing sheet with id=AC6, first strand: chain 'B' and resid 108 through 113 Processing sheet with id=AC7, first strand: chain 'C' and resid 57 through 59 removed outlier: 6.473A pdb=" N ILE C 58 " --> pdb=" O ILE C 101 " (cutoff:3.500A) Processing sheet with id=AC8, first strand: chain 'C' and resid 108 through 113 Processing sheet with id=AC9, first strand: chain 'F' and resid 35 through 40 removed outlier: 5.905A pdb=" N ILE F 68 " --> pdb=" O ASP F 39 " (cutoff:3.500A) removed outlier: 6.986A pdb=" N LYS F 67 " --> pdb=" O TRP d 386 " (cutoff:3.500A) removed outlier: 8.358A pdb=" N PHE d 388 " --> pdb=" O LYS F 67 " (cutoff:3.500A) removed outlier: 6.901A pdb=" N THR F 69 " --> pdb=" O PHE d 388 " (cutoff:3.500A) removed outlier: 6.396A pdb=" N HIS d 385 " --> pdb=" O MET d 381 " (cutoff:3.500A) removed outlier: 4.036A pdb=" N SER d 370 " --> pdb=" O LYS d 380 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N GLY D 34 " --> pdb=" O TYR d 373 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N ASP D 39 " --> pdb=" O ILE D 68 " (cutoff:3.500A) removed outlier: 5.803A pdb=" N ILE D 68 " --> pdb=" O ASP D 39 " (cutoff:3.500A) removed outlier: 6.603A pdb=" N LYS D 67 " --> pdb=" O TRP b 386 " (cutoff:3.500A) removed outlier: 8.278A pdb=" N PHE b 388 " --> pdb=" O LYS D 67 " (cutoff:3.500A) removed outlier: 7.404A pdb=" N THR D 69 " --> pdb=" O PHE b 388 " (cutoff:3.500A) removed outlier: 6.359A pdb=" N HIS b 385 " --> pdb=" O MET b 381 " (cutoff:3.500A) Processing sheet with id=AD1, first strand: chain 'D' and resid 57 through 59 Processing sheet with id=AD2, first strand: chain 'D' and resid 139 through 140 removed outlier: 3.654A pdb=" N VAL D 112 " --> pdb=" O PHE D 147 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N VALAR 17 " --> pdb=" O VAL D 111 " (cutoff:3.500A) Processing sheet with id=AD3, first strand: chain 'E' and resid 186 through 188 removed outlier: 6.305A pdb=" N LEU E 194 " --> pdb=" O ARG E 221 " (cutoff:3.500A) removed outlier: 7.463A pdb=" N ILE E 223 " --> pdb=" O LEU E 194 " (cutoff:3.500A) removed outlier: 6.328A pdb=" N VAL E 196 " --> pdb=" O ILE E 223 " (cutoff:3.500A) Processing sheet with id=AD4, first strand: chain 'E' and resid 245 through 249 removed outlier: 7.177A pdb=" N TRP E 259 " --> pdb=" O TYR E 246 " (cutoff:3.500A) removed outlier: 4.768A pdb=" N ILE E 248 " --> pdb=" O VAL E 257 " (cutoff:3.500A) removed outlier: 6.782A pdb=" N VAL E 257 " --> pdb=" O ILE E 248 " (cutoff:3.500A) Processing sheet with id=AD5, first strand: chain 'E' and resid 315 through 319 removed outlier: 3.607A pdb=" N ILE E 327 " --> pdb=" O ALA E 358 " (cutoff:3.500A) Processing sheet with id=AD6, first strand: chain 'E' and resid 371 through 373 Processing sheet with id=AD7, first strand: chain 'F' and resid 57 through 59 Processing sheet with id=AD8, first strand: chain 'F' and resid 108 through 113 removed outlier: 3.638A pdb=" N VAL F 112 " --> pdb=" O PHE F 147 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N PHE F 147 " --> pdb=" O VAL F 112 " (cutoff:3.500A) Processing sheet with id=AD9, first strand: chain 'J' and resid 35 through 37 removed outlier: 6.927A pdb=" N LYS J 67 " --> pdb=" O TRP j 386 " (cutoff:3.500A) removed outlier: 6.338A pdb=" N HIS j 385 " --> pdb=" O MET j 381 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N SER j 370 " --> pdb=" O LYS j 380 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N ASP I 39 " --> pdb=" O ILE I 68 " (cutoff:3.500A) removed outlier: 6.005A pdb=" N ILE I 68 " --> pdb=" O ASP I 39 " (cutoff:3.500A) removed outlier: 6.719A pdb=" N LYS I 67 " --> pdb=" O TRP h 386 " (cutoff:3.500A) removed outlier: 8.402A pdb=" N PHE h 388 " --> pdb=" O LYS I 67 " (cutoff:3.500A) removed outlier: 7.726A pdb=" N THR I 69 " --> pdb=" O PHE h 388 " (cutoff:3.500A) removed outlier: 6.415A pdb=" N HIS h 385 " --> pdb=" O MET h 381 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N TYR h 378 " --> pdb=" O GLN h 372 " (cutoff:3.500A) removed outlier: 4.398A pdb=" N SER h 370 " --> pdb=" O LYS h 380 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N PHE h 371 " --> pdb=" O VAL H 36 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N ASP H 39 " --> pdb=" O ILE H 68 " (cutoff:3.500A) removed outlier: 5.916A pdb=" N ILE H 68 " --> pdb=" O ASP H 39 " (cutoff:3.500A) removed outlier: 6.949A pdb=" N LYS H 67 " --> pdb=" O TRP g 386 " (cutoff:3.500A) removed outlier: 8.338A pdb=" N PHE g 388 " --> pdb=" O LYS H 67 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N THR H 69 " --> pdb=" O PHE g 388 " (cutoff:3.500A) removed outlier: 6.346A pdb=" N HIS g 385 " --> pdb=" O MET g 381 " (cutoff:3.500A) removed outlier: 4.192A pdb=" N SER g 370 " --> pdb=" O LYS g 380 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N GLY G 34 " --> pdb=" O TYR g 373 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N ASP G 39 " --> pdb=" O ILE G 68 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N ILE G 68 " --> pdb=" O ASP G 39 " (cutoff:3.500A) removed outlier: 6.495A pdb=" N LYS G 67 " --> pdb=" O TRP e 386 " (cutoff:3.500A) removed outlier: 8.247A pdb=" N PHE e 388 " --> pdb=" O LYS G 67 " (cutoff:3.500A) removed outlier: 7.452A pdb=" N THR G 69 " --> pdb=" O PHE e 388 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N HIS e 385 " --> pdb=" O MET e 381 " (cutoff:3.500A) removed outlier: 4.438A pdb=" N SER e 370 " --> pdb=" O LYS e 380 " (cutoff:3.500A) Processing sheet with id=AE1, first strand: chain 'G' and resid 57 through 59 removed outlier: 6.590A pdb=" N ILE G 58 " --> pdb=" O ILE G 101 " (cutoff:3.500A) Processing sheet with id=AE2, first strand: chain 'G' and resid 108 through 113 removed outlier: 3.772A pdb=" N VAL G 112 " --> pdb=" O PHE G 147 " (cutoff:3.500A) Processing sheet with id=AE3, first strand: chain 'H' and resid 57 through 59 removed outlier: 6.461A pdb=" N ILE H 58 " --> pdb=" O ILE H 101 " (cutoff:3.500A) removed outlier: 8.505A pdb=" N ASP H 103 " --> pdb=" O ILE H 58 " (cutoff:3.500A) Processing sheet with id=AE4, first strand: chain 'H' and resid 139 through 140 removed outlier: 3.574A pdb=" N ARG H 108 " --> pdb=" O GLY H 151 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N SER H 113 " --> pdb=" O GLNAQ 15 " (cutoff:3.500A) removed outlier: 4.507A pdb=" N GLNAQ 15 " --> pdb=" O SER H 113 " (cutoff:3.500A) Processing sheet with id=AE5, first strand: chain 'I' and resid 57 through 59 removed outlier: 6.515A pdb=" N ILE I 58 " --> pdb=" O ILE I 101 " (cutoff:3.500A) removed outlier: 8.545A pdb=" N ASP I 103 " --> pdb=" O ILE I 58 " (cutoff:3.500A) Processing sheet with id=AE6, first strand: chain 'I' and resid 108 through 113 removed outlier: 3.523A pdb=" N VAL I 112 " --> pdb=" O PHE I 147 " (cutoff:3.500A) Processing sheet with id=AE7, first strand: chain 'J' and resid 57 through 59 removed outlier: 6.361A pdb=" N ILE J 58 " --> pdb=" O ILE J 101 " (cutoff:3.500A) removed outlier: 8.253A pdb=" N ASP J 103 " --> pdb=" O ILE J 58 " (cutoff:3.500A) Processing sheet with id=AE8, first strand: chain 'J' and resid 108 through 113 Processing sheet with id=AE9, first strand: chain 'L' and resid 35 through 37 removed outlier: 6.851A pdb=" N LYS L 67 " --> pdb=" O TRP m 386 " (cutoff:3.500A) removed outlier: 6.337A pdb=" N HIS m 385 " --> pdb=" O MET m 381 " (cutoff:3.500A) removed outlier: 3.969A pdb=" N SER m 370 " --> pdb=" O LYS m 380 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N GLY K 34 " --> pdb=" O TYR m 373 " (cutoff:3.500A) removed outlier: 6.042A pdb=" N ILE K 68 " --> pdb=" O ASP K 39 " (cutoff:3.500A) removed outlier: 6.513A pdb=" N LYS K 67 " --> pdb=" O TRP k 386 " (cutoff:3.500A) removed outlier: 8.297A pdb=" N PHE k 388 " --> pdb=" O LYS K 67 " (cutoff:3.500A) removed outlier: 7.334A pdb=" N THR K 69 " --> pdb=" O PHE k 388 " (cutoff:3.500A) removed outlier: 6.328A pdb=" N HIS k 385 " --> pdb=" O MET k 381 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N TYR k 378 " --> pdb=" O GLN k 372 " (cutoff:3.500A) removed outlier: 4.427A pdb=" N SER k 370 " --> pdb=" O LYS k 380 " (cutoff:3.500A) Processing sheet with id=AF1, first strand: chain 'K' and resid 57 through 59 Processing sheet with id=AF2, first strand: chain 'K' and resid 139 through 140 Processing sheet with id=AF3, first strand: chain 'L' and resid 57 through 59 removed outlier: 6.378A pdb=" N ILE L 58 " --> pdb=" O ILE L 101 " (cutoff:3.500A) removed outlier: 8.385A pdb=" N ASP L 103 " --> pdb=" O ILE L 58 " (cutoff:3.500A) Processing sheet with id=AF4, first strand: chain 'L' and resid 108 through 113 removed outlier: 3.687A pdb=" N ARG L 108 " --> pdb=" O GLY L 151 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N GLY L 151 " --> pdb=" O ARG L 108 " (cutoff:3.500A) Processing sheet with id=AF5, first strand: chain 'N' and resid 35 through 40 removed outlier: 3.540A pdb=" N ASP N 39 " --> pdb=" O ILE N 68 " (cutoff:3.500A) removed outlier: 6.187A pdb=" N ILE N 68 " --> pdb=" O ASP N 39 " (cutoff:3.500A) removed outlier: 6.667A pdb=" N LYS N 67 " --> pdb=" O TRP R 386 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N PHE R 388 " --> pdb=" O LYS N 67 " (cutoff:3.500A) removed outlier: 6.671A pdb=" N THR N 69 " --> pdb=" O PHE R 388 " (cutoff:3.500A) removed outlier: 6.399A pdb=" N HIS R 385 " --> pdb=" O MET R 381 " (cutoff:3.500A) removed outlier: 4.095A pdb=" N SER R 370 " --> pdb=" O LYS R 380 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N PHE R 371 " --> pdb=" O VAL M 36 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N TYR R 373 " --> pdb=" O GLY M 34 " (cutoff:3.500A) removed outlier: 3.969A pdb=" N GLY M 34 " --> pdb=" O TYR R 373 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N ASP M 39 " --> pdb=" O ILE M 68 " (cutoff:3.500A) removed outlier: 5.896A pdb=" N ILE M 68 " --> pdb=" O ASP M 39 " (cutoff:3.500A) removed outlier: 6.633A pdb=" N LYS M 67 " --> pdb=" O TRP n 386 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N PHE n 388 " --> pdb=" O LYS M 67 " (cutoff:3.500A) removed outlier: 7.552A pdb=" N THR M 69 " --> pdb=" O PHE n 388 " (cutoff:3.500A) removed outlier: 6.337A pdb=" N HIS n 385 " --> pdb=" O MET n 381 " (cutoff:3.500A) Processing sheet with id=AF6, first strand: chain 'M' and resid 57 through 59 Processing sheet with id=AF7, first strand: chain 'M' and resid 108 through 113 removed outlier: 3.590A pdb=" N VAL M 112 " --> pdb=" O PHE M 147 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N PHE M 147 " --> pdb=" O VAL M 112 " (cutoff:3.500A) Processing sheet with id=AF8, first strand: chain 'N' and resid 57 through 59 removed outlier: 6.403A pdb=" N ILE N 58 " --> pdb=" O ILE N 101 " (cutoff:3.500A) removed outlier: 8.379A pdb=" N ASP N 103 " --> pdb=" O ILE N 58 " (cutoff:3.500A) Processing sheet with id=AF9, first strand: chain 'N' and resid 139 through 140 removed outlier: 3.766A pdb=" N VAL N 111 " --> pdb=" O VALAO 17 " (cutoff:3.500A) removed outlier: 3.900A pdb=" N VALAO 17 " --> pdb=" O VAL N 111 " (cutoff:3.500A) Processing sheet with id=AG1, first strand: chain 'P' and resid 35 through 40 removed outlier: 3.962A pdb=" N ASP P 39 " --> pdb=" O ILE P 68 " (cutoff:3.500A) removed outlier: 6.184A pdb=" N ILE P 68 " --> pdb=" O ASP P 39 " (cutoff:3.500A) removed outlier: 6.905A pdb=" N LYS P 67 " --> pdb=" O TRP U 386 " (cutoff:3.500A) removed outlier: 8.094A pdb=" N PHE U 388 " --> pdb=" O LYS P 67 " (cutoff:3.500A) removed outlier: 6.904A pdb=" N THR P 69 " --> pdb=" O PHE U 388 " (cutoff:3.500A) removed outlier: 6.425A pdb=" N HIS U 385 " --> pdb=" O MET U 381 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N SER U 370 " --> pdb=" O LYS U 380 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N GLY O 34 " --> pdb=" O TYR U 373 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N ASP O 39 " --> pdb=" O ILE O 68 " (cutoff:3.500A) removed outlier: 6.001A pdb=" N ILE O 68 " --> pdb=" O ASP O 39 " (cutoff:3.500A) removed outlier: 6.702A pdb=" N LYS O 67 " --> pdb=" O TRP S 386 " (cutoff:3.500A) removed outlier: 8.370A pdb=" N PHE S 388 " --> pdb=" O LYS O 67 " (cutoff:3.500A) removed outlier: 7.490A pdb=" N THR O 69 " --> pdb=" O PHE S 388 " (cutoff:3.500A) removed outlier: 6.440A pdb=" N HIS S 385 " --> pdb=" O MET S 381 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N SER S 370 " --> pdb=" O LYS S 380 " (cutoff:3.500A) Processing sheet with id=AG2, first strand: chain 'O' and resid 57 through 59 Processing sheet with id=AG3, first strand: chain 'O' and resid 108 through 113 removed outlier: 3.525A pdb=" N VAL O 112 " --> pdb=" O PHE O 147 " (cutoff:3.500A) Processing sheet with id=AG4, first strand: chain 'P' and resid 57 through 59 Processing sheet with id=AG5, first strand: chain 'P' and resid 108 through 113 Processing sheet with id=AG6, first strand: chain 'Q' and resid 57 through 59 Processing sheet with id=AG7, first strand: chain 'Q' and resid 139 through 140 removed outlier: 3.580A pdb=" N VAL Q 112 " --> pdb=" O PHE Q 147 " (cutoff:3.500A) removed outlier: 3.799A pdb=" N ASN Q 109 " --> pdb=" O AILEAN 19 " (cutoff:3.500A) removed outlier: 20.067A pdb=" N BILEAN 19 " --> pdb=" O ASN Q 109 " (cutoff:3.500A) removed outlier: 19.250A pdb=" N VAL Q 111 " --> pdb=" O BVALAN 17 " (cutoff:3.500A) removed outlier: 17.370A pdb=" N BVALAN 17 " --> pdb=" O VAL Q 111 " (cutoff:3.500A) Processing sheet with id=AG8, first strand: chain 'R' and resid 185 through 188 removed outlier: 3.741A pdb=" N GLN R 185 " --> pdb=" O ALA R 197 " (cutoff:3.500A) removed outlier: 6.200A pdb=" N LEU R 194 " --> pdb=" O ARG R 221 " (cutoff:3.500A) removed outlier: 7.204A pdb=" N ILE R 223 " --> pdb=" O LEU R 194 " (cutoff:3.500A) removed outlier: 5.980A pdb=" N VAL R 196 " --> pdb=" O ILE R 223 " (cutoff:3.500A) Processing sheet with id=AG9, first strand: chain 'R' and resid 245 through 249 removed outlier: 7.133A pdb=" N TRP R 259 " --> pdb=" O TYR R 246 " (cutoff:3.500A) removed outlier: 4.680A pdb=" N ILE R 248 " --> pdb=" O VAL R 257 " (cutoff:3.500A) removed outlier: 6.594A pdb=" N VAL R 257 " --> pdb=" O ILE R 248 " (cutoff:3.500A) Processing sheet with id=AH1, first strand: chain 'R' and resid 315 through 319 removed outlier: 3.592A pdb=" N HIS R 319 " --> pdb=" O GLY R 322 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N GLY R 322 " --> pdb=" O HIS R 319 " (cutoff:3.500A) removed outlier: 6.751A pdb=" N VAL R 323 " --> pdb=" O GLN R 356 " (cutoff:3.500A) removed outlier: 8.084A pdb=" N ALA R 358 " --> pdb=" O VAL R 323 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N PHE R 325 " --> pdb=" O ALA R 358 " (cutoff:3.500A) removed outlier: 7.609A pdb=" N GLU R 360 " --> pdb=" O PHE R 325 " (cutoff:3.500A) removed outlier: 6.160A pdb=" N ILE R 327 " --> pdb=" O GLU R 360 " (cutoff:3.500A) Processing sheet with id=AH2, first strand: chain 'S' and resid 186 through 188 removed outlier: 5.970A pdb=" N LEU S 194 " --> pdb=" O ARG S 221 " (cutoff:3.500A) removed outlier: 7.303A pdb=" N ILE S 223 " --> pdb=" O LEU S 194 " (cutoff:3.500A) removed outlier: 6.061A pdb=" N VAL S 196 " --> pdb=" O ILE S 223 " (cutoff:3.500A) Processing sheet with id=AH3, first strand: chain 'S' and resid 245 through 249 removed outlier: 6.943A pdb=" N TYR S 245 " --> pdb=" O SER S 261 " (cutoff:3.500A) removed outlier: 6.136A pdb=" N SER S 261 " --> pdb=" O TYR S 245 " (cutoff:3.500A) removed outlier: 4.150A pdb=" N ARG S 247 " --> pdb=" O TRP S 259 " (cutoff:3.500A) removed outlier: 5.784A pdb=" N PHE S 258 " --> pdb=" O THR S 292 " (cutoff:3.500A) removed outlier: 6.436A pdb=" N MET S 294 " --> pdb=" O PHE S 258 " (cutoff:3.500A) removed outlier: 6.211A pdb=" N LEU S 260 " --> pdb=" O MET S 294 " (cutoff:3.500A) Processing sheet with id=AH4, first strand: chain 'S' and resid 315 through 319 removed outlier: 3.644A pdb=" N HIS S 319 " --> pdb=" O GLY S 322 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N GLY S 322 " --> pdb=" O HIS S 319 " (cutoff:3.500A) removed outlier: 6.829A pdb=" N VAL S 323 " --> pdb=" O GLN S 356 " (cutoff:3.500A) removed outlier: 8.057A pdb=" N ALA S 358 " --> pdb=" O VAL S 323 " (cutoff:3.500A) removed outlier: 6.896A pdb=" N PHE S 325 " --> pdb=" O ALA S 358 " (cutoff:3.500A) Processing sheet with id=AH5, first strand: chain 'T' and resid 186 through 188 removed outlier: 6.145A pdb=" N LEU T 194 " --> pdb=" O ARG T 221 " (cutoff:3.500A) removed outlier: 7.344A pdb=" N ILE T 223 " --> pdb=" O LEU T 194 " (cutoff:3.500A) removed outlier: 6.304A pdb=" N VAL T 196 " --> pdb=" O ILE T 223 " (cutoff:3.500A) Processing sheet with id=AH6, first strand: chain 'T' and resid 245 through 249 removed outlier: 6.844A pdb=" N TYR T 245 " --> pdb=" O SER T 261 " (cutoff:3.500A) removed outlier: 6.269A pdb=" N SER T 261 " --> pdb=" O TYR T 245 " (cutoff:3.500A) removed outlier: 4.262A pdb=" N ARG T 247 " --> pdb=" O TRP T 259 " (cutoff:3.500A) Processing sheet with id=AH7, first strand: chain 'T' and resid 315 through 319 removed outlier: 3.576A pdb=" N THR T 324 " --> pdb=" O ARG T 317 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N HIS T 319 " --> pdb=" O GLY T 322 " (cutoff:3.500A) removed outlier: 3.689A pdb=" N GLY T 322 " --> pdb=" O HIS T 319 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N ILE T 327 " --> pdb=" O ALA T 358 " (cutoff:3.500A) Processing sheet with id=AH8, first strand: chain 'T' and resid 371 through 373 Processing sheet with id=AH9, first strand: chain 'U' and resid 186 through 187 removed outlier: 6.331A pdb=" N LEU U 194 " --> pdb=" O ARG U 221 " (cutoff:3.500A) removed outlier: 7.305A pdb=" N ILE U 223 " --> pdb=" O LEU U 194 " (cutoff:3.500A) removed outlier: 5.989A pdb=" N VAL U 196 " --> pdb=" O ILE U 223 " (cutoff:3.500A) Processing sheet with id=AI1, first strand: chain 'U' and resid 245 through 249 removed outlier: 6.529A pdb=" N TYR U 245 " --> pdb=" O SER U 261 " (cutoff:3.500A) removed outlier: 6.062A pdb=" N SER U 261 " --> pdb=" O TYR U 245 " (cutoff:3.500A) removed outlier: 4.006A pdb=" N ARG U 247 " --> pdb=" O TRP U 259 " (cutoff:3.500A) removed outlier: 5.940A pdb=" N PHE U 258 " --> pdb=" O THR U 292 " (cutoff:3.500A) removed outlier: 6.681A pdb=" N MET U 294 " --> pdb=" O PHE U 258 " (cutoff:3.500A) removed outlier: 6.408A pdb=" N LEU U 260 " --> pdb=" O MET U 294 " (cutoff:3.500A) Processing sheet with id=AI2, first strand: chain 'U' and resid 315 through 319 removed outlier: 3.548A pdb=" N HIS U 319 " --> pdb=" O GLY U 322 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N GLY U 322 " --> pdb=" O HIS U 319 " (cutoff:3.500A) Processing sheet with id=AI3, first strand: chain 'V' and resid 186 through 188 removed outlier: 6.216A pdb=" N LEU V 194 " --> pdb=" O ARG V 221 " (cutoff:3.500A) removed outlier: 7.296A pdb=" N ILE V 223 " --> pdb=" O LEU V 194 " (cutoff:3.500A) removed outlier: 6.114A pdb=" N VAL V 196 " --> pdb=" O ILE V 223 " (cutoff:3.500A) Processing sheet with id=AI4, first strand: chain 'V' and resid 245 through 249 removed outlier: 6.894A pdb=" N TYR V 245 " --> pdb=" O SER V 261 " (cutoff:3.500A) removed outlier: 6.263A pdb=" N SER V 261 " --> pdb=" O TYR V 245 " (cutoff:3.500A) removed outlier: 4.092A pdb=" N ARG V 247 " --> pdb=" O TRP V 259 " (cutoff:3.500A) removed outlier: 5.716A pdb=" N PHE V 258 " --> pdb=" O THR V 292 " (cutoff:3.500A) removed outlier: 6.595A pdb=" N MET V 294 " --> pdb=" O PHE V 258 " (cutoff:3.500A) removed outlier: 6.195A pdb=" N LEU V 260 " --> pdb=" O MET V 294 " (cutoff:3.500A) Processing sheet with id=AI5, first strand: chain 'V' and resid 315 through 319 removed outlier: 3.569A pdb=" N GLY V 322 " --> pdb=" O HIS V 319 " (cutoff:3.500A) Processing sheet with id=AI6, first strand: chain 'W' and resid 186 through 188 removed outlier: 6.182A pdb=" N LEU W 194 " --> pdb=" O ARG W 221 " (cutoff:3.500A) removed outlier: 7.342A pdb=" N ILE W 223 " --> pdb=" O LEU W 194 " (cutoff:3.500A) removed outlier: 6.164A pdb=" N VAL W 196 " --> pdb=" O ILE W 223 " (cutoff:3.500A) Processing sheet with id=AI7, first strand: chain 'W' and resid 245 through 249 removed outlier: 7.254A pdb=" N TRP W 259 " --> pdb=" O TYR W 246 " (cutoff:3.500A) removed outlier: 4.650A pdb=" N ILE W 248 " --> pdb=" O VAL W 257 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N VAL W 257 " --> pdb=" O ILE W 248 " (cutoff:3.500A) Processing sheet with id=AI8, first strand: chain 'W' and resid 315 through 319 removed outlier: 3.590A pdb=" N HIS W 319 " --> pdb=" O GLY W 322 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N GLY W 322 " --> pdb=" O HIS W 319 " (cutoff:3.500A) Processing sheet with id=AI9, first strand: chain 'W' and resid 371 through 373 removed outlier: 3.600A pdb=" N GLN W 372 " --> pdb=" O ILE W 379 " (cutoff:3.500A) Processing sheet with id=AJ1, first strand: chain 'X' and resid 185 through 188 removed outlier: 3.994A pdb=" N GLN X 185 " --> pdb=" O ALA X 197 " (cutoff:3.500A) removed outlier: 6.527A pdb=" N LEU X 194 " --> pdb=" O ARG X 221 " (cutoff:3.500A) removed outlier: 7.447A pdb=" N ILE X 223 " --> pdb=" O LEU X 194 " (cutoff:3.500A) removed outlier: 6.255A pdb=" N VAL X 196 " --> pdb=" O ILE X 223 " (cutoff:3.500A) Processing sheet with id=AJ2, first strand: chain 'X' and resid 245 through 249 removed outlier: 7.202A pdb=" N TRP X 259 " --> pdb=" O TYR X 246 " (cutoff:3.500A) removed outlier: 4.581A pdb=" N ILE X 248 " --> pdb=" O VAL X 257 " (cutoff:3.500A) removed outlier: 6.323A pdb=" N VAL X 257 " --> pdb=" O ILE X 248 " (cutoff:3.500A) Processing sheet with id=AJ3, first strand: chain 'X' and resid 315 through 319 removed outlier: 3.584A pdb=" N HIS X 319 " --> pdb=" O GLY X 322 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N GLY X 322 " --> pdb=" O HIS X 319 " (cutoff:3.500A) Processing sheet with id=AJ4, first strand: chain 'Y' and resid 186 through 188 removed outlier: 6.089A pdb=" N LEU Y 194 " --> pdb=" O ARG Y 221 " (cutoff:3.500A) removed outlier: 7.298A pdb=" N ILE Y 223 " --> pdb=" O LEU Y 194 " (cutoff:3.500A) removed outlier: 6.186A pdb=" N VAL Y 196 " --> pdb=" O ILE Y 223 " (cutoff:3.500A) Processing sheet with id=AJ5, first strand: chain 'Y' and resid 245 through 249 removed outlier: 6.556A pdb=" N TYR Y 245 " --> pdb=" O SER Y 261 " (cutoff:3.500A) removed outlier: 5.922A pdb=" N SER Y 261 " --> pdb=" O TYR Y 245 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N ARG Y 247 " --> pdb=" O TRP Y 259 " (cutoff:3.500A) Processing sheet with id=AJ6, first strand: chain 'Y' and resid 315 through 319 removed outlier: 3.692A pdb=" N HIS Y 319 " --> pdb=" O GLY Y 322 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N GLY Y 322 " --> pdb=" O HIS Y 319 " (cutoff:3.500A) Processing sheet with id=AJ7, first strand: chain 'Z' and resid 186 through 188 removed outlier: 6.102A pdb=" N LEU Z 194 " --> pdb=" O ARG Z 221 " (cutoff:3.500A) removed outlier: 7.365A pdb=" N ILE Z 223 " --> pdb=" O LEU Z 194 " (cutoff:3.500A) removed outlier: 6.187A pdb=" N VAL Z 196 " --> pdb=" O ILE Z 223 " (cutoff:3.500A) Processing sheet with id=AJ8, first strand: chain 'Z' and resid 245 through 249 removed outlier: 6.885A pdb=" N TYR Z 245 " --> pdb=" O SER Z 261 " (cutoff:3.500A) removed outlier: 6.433A pdb=" N SER Z 261 " --> pdb=" O TYR Z 245 " (cutoff:3.500A) removed outlier: 4.405A pdb=" N ARG Z 247 " --> pdb=" O TRP Z 259 " (cutoff:3.500A) Processing sheet with id=AJ9, first strand: chain 'Z' and resid 315 through 319 removed outlier: 3.910A pdb=" N HIS Z 319 " --> pdb=" O GLY Z 322 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N GLY Z 322 " --> pdb=" O HIS Z 319 " (cutoff:3.500A) Processing sheet with id=AK1, first strand: chain 'Z' and resid 371 through 373 Processing sheet with id=AK2, first strand: chain 'AL' and resid 22 through 27 removed outlier: 5.572A pdb=" N ASPAL 22 " --> pdb=" O VALAL 60 " (cutoff:3.500A) removed outlier: 6.660A pdb=" N VALAL 60 " --> pdb=" O ASPAL 22 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LEUAL 24 " --> pdb=" O ILEAL 58 " (cutoff:3.500A) removed outlier: 5.386A pdb=" N TYRAL 56 " --> pdb=" O GLYAL 26 " (cutoff:3.500A) Processing sheet with id=AK3, first strand: chain 'AL' and resid 123 through 130 removed outlier: 6.711A pdb=" N VALAL 153 " --> pdb=" O LEUAL 124 " (cutoff:3.500A) removed outlier: 4.415A pdb=" N ALAAL 126 " --> pdb=" O LEUAL 151 " (cutoff:3.500A) removed outlier: 6.555A pdb=" N LEUAL 151 " --> pdb=" O ALAAL 126 " (cutoff:3.500A) removed outlier: 4.666A pdb=" N VALAL 128 " --> pdb=" O SERAL 149 " (cutoff:3.500A) removed outlier: 6.718A pdb=" N SERAL 149 " --> pdb=" O VALAL 128 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N SERAL 184 " --> pdb=" O LEUAL 148 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N ALAAL 152 " --> pdb=" O VALAL 186 " (cutoff:3.500A) Processing sheet with id=AK4, first strand: chain 'a' and resid 186 through 188 removed outlier: 6.302A pdb=" N LEU a 194 " --> pdb=" O ARG a 221 " (cutoff:3.500A) removed outlier: 7.363A pdb=" N ILE a 223 " --> pdb=" O LEU a 194 " (cutoff:3.500A) removed outlier: 6.113A pdb=" N VAL a 196 " --> pdb=" O ILE a 223 " (cutoff:3.500A) Processing sheet with id=AK5, first strand: chain 'a' and resid 245 through 249 removed outlier: 6.654A pdb=" N TYR a 245 " --> pdb=" O SER a 261 " (cutoff:3.500A) removed outlier: 6.269A pdb=" N SER a 261 " --> pdb=" O TYR a 245 " (cutoff:3.500A) removed outlier: 4.295A pdb=" N ARG a 247 " --> pdb=" O TRP a 259 " (cutoff:3.500A) removed outlier: 6.007A pdb=" N PHE a 258 " --> pdb=" O THR a 292 " (cutoff:3.500A) removed outlier: 6.492A pdb=" N MET a 294 " --> pdb=" O PHE a 258 " (cutoff:3.500A) removed outlier: 6.329A pdb=" N LEU a 260 " --> pdb=" O MET a 294 " (cutoff:3.500A) Processing sheet with id=AK6, first strand: chain 'a' and resid 315 through 319 removed outlier: 3.543A pdb=" N HIS a 319 " --> pdb=" O GLY a 322 " (cutoff:3.500A) removed outlier: 3.872A pdb=" N GLY a 322 " --> pdb=" O HIS a 319 " (cutoff:3.500A) Processing sheet with id=AK7, first strand: chain 'b' and resid 186 through 188 Processing sheet with id=AK8, first strand: chain 'b' and resid 245 through 249 removed outlier: 6.736A pdb=" N TYR b 245 " --> pdb=" O SER b 261 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N SER b 261 " --> pdb=" O TYR b 245 " (cutoff:3.500A) removed outlier: 4.463A pdb=" N ARG b 247 " --> pdb=" O TRP b 259 " (cutoff:3.500A) Processing sheet with id=AK9, first strand: chain 'b' and resid 315 through 319 removed outlier: 3.600A pdb=" N HIS b 319 " --> pdb=" O GLY b 322 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N GLY b 322 " --> pdb=" O HIS b 319 " (cutoff:3.500A) removed outlier: 6.679A pdb=" N VAL b 323 " --> pdb=" O GLN b 356 " (cutoff:3.500A) removed outlier: 7.883A pdb=" N ALA b 358 " --> pdb=" O VAL b 323 " (cutoff:3.500A) removed outlier: 6.608A pdb=" N PHE b 325 " --> pdb=" O ALA b 358 " (cutoff:3.500A) Processing sheet with id=AL1, first strand: chain 'c' and resid 185 through 188 removed outlier: 6.174A pdb=" N LEU c 194 " --> pdb=" O ARG c 221 " (cutoff:3.500A) removed outlier: 7.232A pdb=" N ILE c 223 " --> pdb=" O LEU c 194 " (cutoff:3.500A) removed outlier: 6.032A pdb=" N VAL c 196 " --> pdb=" O ILE c 223 " (cutoff:3.500A) Processing sheet with id=AL2, first strand: chain 'c' and resid 245 through 249 removed outlier: 6.577A pdb=" N TYR c 245 " --> pdb=" O SER c 261 " (cutoff:3.500A) removed outlier: 6.182A pdb=" N SER c 261 " --> pdb=" O TYR c 245 " (cutoff:3.500A) removed outlier: 4.132A pdb=" N ARG c 247 " --> pdb=" O TRP c 259 " (cutoff:3.500A) Processing sheet with id=AL3, first strand: chain 'c' and resid 315 through 319 removed outlier: 3.543A pdb=" N THR c 324 " --> pdb=" O ARG c 317 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N HIS c 319 " --> pdb=" O GLY c 322 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N GLY c 322 " --> pdb=" O HIS c 319 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N ILE c 327 " --> pdb=" O ALA c 358 " (cutoff:3.500A) Processing sheet with id=AL4, first strand: chain 'c' and resid 371 through 373 Processing sheet with id=AL5, first strand: chain 'd' and resid 185 through 188 removed outlier: 3.535A pdb=" N GLN d 185 " --> pdb=" O ALA d 197 " (cutoff:3.500A) removed outlier: 6.440A pdb=" N LEU d 194 " --> pdb=" O ARG d 221 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N ILE d 223 " --> pdb=" O LEU d 194 " (cutoff:3.500A) removed outlier: 6.402A pdb=" N VAL d 196 " --> pdb=" O ILE d 223 " (cutoff:3.500A) Processing sheet with id=AL6, first strand: chain 'd' and resid 245 through 249 removed outlier: 6.935A pdb=" N TYR d 245 " --> pdb=" O SER d 261 " (cutoff:3.500A) removed outlier: 6.322A pdb=" N SER d 261 " --> pdb=" O TYR d 245 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N ARG d 247 " --> pdb=" O TRP d 259 " (cutoff:3.500A) Processing sheet with id=AL7, first strand: chain 'd' and resid 315 through 319 removed outlier: 3.580A pdb=" N THR d 324 " --> pdb=" O ARG d 317 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N HIS d 319 " --> pdb=" O GLY d 322 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N GLY d 322 " --> pdb=" O HIS d 319 " (cutoff:3.500A) Processing sheet with id=AL8, first strand: chain 'e' and resid 186 through 188 removed outlier: 6.352A pdb=" N LEU e 194 " --> pdb=" O ARG e 221 " (cutoff:3.500A) removed outlier: 7.523A pdb=" N ILE e 223 " --> pdb=" O LEU e 194 " (cutoff:3.500A) removed outlier: 6.292A pdb=" N VAL e 196 " --> pdb=" O ILE e 223 " (cutoff:3.500A) Processing sheet with id=AL9, first strand: chain 'e' and resid 245 through 249 removed outlier: 7.013A pdb=" N TRP e 259 " --> pdb=" O TYR e 246 " (cutoff:3.500A) removed outlier: 4.655A pdb=" N ILE e 248 " --> pdb=" O VAL e 257 " (cutoff:3.500A) removed outlier: 6.631A pdb=" N VAL e 257 " --> pdb=" O ILE e 248 " (cutoff:3.500A) Processing sheet with id=AM1, first strand: chain 'e' and resid 315 through 319 removed outlier: 3.584A pdb=" N HIS e 319 " --> pdb=" O GLY e 322 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N GLY e 322 " --> pdb=" O HIS e 319 " (cutoff:3.500A) removed outlier: 6.655A pdb=" N VAL e 323 " --> pdb=" O GLN e 356 " (cutoff:3.500A) removed outlier: 7.840A pdb=" N ALA e 358 " --> pdb=" O VAL e 323 " (cutoff:3.500A) removed outlier: 6.599A pdb=" N PHE e 325 " --> pdb=" O ALA e 358 " (cutoff:3.500A) Processing sheet with id=AM2, first strand: chain 'f' and resid 185 through 188 removed outlier: 3.644A pdb=" N GLN f 185 " --> pdb=" O ALA f 197 " (cutoff:3.500A) removed outlier: 6.350A pdb=" N LEU f 194 " --> pdb=" O ARG f 221 " (cutoff:3.500A) removed outlier: 7.478A pdb=" N ILE f 223 " --> pdb=" O LEU f 194 " (cutoff:3.500A) removed outlier: 6.279A pdb=" N VAL f 196 " --> pdb=" O ILE f 223 " (cutoff:3.500A) Processing sheet with id=AM3, first strand: chain 'f' and resid 245 through 249 removed outlier: 7.290A pdb=" N TRP f 259 " --> pdb=" O TYR f 246 " (cutoff:3.500A) removed outlier: 4.778A pdb=" N ILE f 248 " --> pdb=" O VAL f 257 " (cutoff:3.500A) removed outlier: 6.656A pdb=" N VAL f 257 " --> pdb=" O ILE f 248 " (cutoff:3.500A) removed outlier: 5.766A pdb=" N PHE f 258 " --> pdb=" O THR f 292 " (cutoff:3.500A) removed outlier: 6.449A pdb=" N MET f 294 " --> pdb=" O PHE f 258 " (cutoff:3.500A) removed outlier: 6.197A pdb=" N LEU f 260 " --> pdb=" O MET f 294 " (cutoff:3.500A) Processing sheet with id=AM4, first strand: chain 'f' and resid 315 through 319 removed outlier: 3.754A pdb=" N HIS f 319 " --> pdb=" O GLY f 322 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLY f 322 " --> pdb=" O HIS f 319 " (cutoff:3.500A) Processing sheet with id=AM5, first strand: chain 'f' and resid 371 through 373 Processing sheet with id=AM6, first strand: chain 'g' and resid 186 through 188 Processing sheet with id=AM7, first strand: chain 'g' and resid 245 through 249 removed outlier: 7.113A pdb=" N TRP g 259 " --> pdb=" O TYR g 246 " (cutoff:3.500A) removed outlier: 4.865A pdb=" N ILE g 248 " --> pdb=" O VAL g 257 " (cutoff:3.500A) removed outlier: 6.745A pdb=" N VAL g 257 " --> pdb=" O ILE g 248 " (cutoff:3.500A) Processing sheet with id=AM8, first strand: chain 'g' and resid 314 through 319 removed outlier: 3.529A pdb=" N HIS g 319 " --> pdb=" O GLY g 322 " (cutoff:3.500A) removed outlier: 3.702A pdb=" N GLY g 322 " --> pdb=" O HIS g 319 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N GLN g 356 " --> pdb=" O VAL g 323 " (cutoff:3.500A) Processing sheet with id=AM9, first strand: chain 'h' and resid 186 through 188 removed outlier: 6.209A pdb=" N LEU h 194 " --> pdb=" O ARG h 221 " (cutoff:3.500A) removed outlier: 7.222A pdb=" N ILE h 223 " --> pdb=" O LEU h 194 " (cutoff:3.500A) removed outlier: 6.100A pdb=" N VAL h 196 " --> pdb=" O ILE h 223 " (cutoff:3.500A) Processing sheet with id=AN1, first strand: chain 'h' and resid 245 through 249 removed outlier: 7.247A pdb=" N TRP h 259 " --> pdb=" O TYR h 246 " (cutoff:3.500A) removed outlier: 4.673A pdb=" N ILE h 248 " --> pdb=" O VAL h 257 " (cutoff:3.500A) removed outlier: 6.545A pdb=" N VAL h 257 " --> pdb=" O ILE h 248 " (cutoff:3.500A) Processing sheet with id=AN2, first strand: chain 'h' and resid 315 through 319 removed outlier: 3.771A pdb=" N GLY h 322 " --> pdb=" O HIS h 319 " (cutoff:3.500A) removed outlier: 6.841A pdb=" N VAL h 323 " --> pdb=" O GLN h 356 " (cutoff:3.500A) removed outlier: 8.129A pdb=" N ALA h 358 " --> pdb=" O VAL h 323 " (cutoff:3.500A) removed outlier: 6.713A pdb=" N PHE h 325 " --> pdb=" O ALA h 358 " (cutoff:3.500A) removed outlier: 7.565A pdb=" N GLU h 360 " --> pdb=" O PHE h 325 " (cutoff:3.500A) removed outlier: 6.381A pdb=" N ILE h 327 " --> pdb=" O GLU h 360 " (cutoff:3.500A) Processing sheet with id=AN3, first strand: chain 'i' and resid 186 through 188 removed outlier: 6.297A pdb=" N LEU i 194 " --> pdb=" O ARG i 221 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE i 223 " --> pdb=" O LEU i 194 " (cutoff:3.500A) removed outlier: 6.433A pdb=" N VAL i 196 " --> pdb=" O ILE i 223 " (cutoff:3.500A) Processing sheet with id=AN4, first strand: chain 'i' and resid 245 through 249 removed outlier: 7.212A pdb=" N TRP i 259 " --> pdb=" O TYR i 246 " (cutoff:3.500A) removed outlier: 4.681A pdb=" N ILE i 248 " --> pdb=" O VAL i 257 " (cutoff:3.500A) removed outlier: 6.669A pdb=" N VAL i 257 " --> pdb=" O ILE i 248 " (cutoff:3.500A) Processing sheet with id=AN5, first strand: chain 'i' and resid 315 through 319 removed outlier: 3.810A pdb=" N HIS i 319 " --> pdb=" O GLY i 322 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N GLY i 322 " --> pdb=" O HIS i 319 " (cutoff:3.500A) Processing sheet with id=AN6, first strand: chain 'i' and resid 371 through 373 Processing sheet with id=AN7, first strand: chain 'j' and resid 186 through 188 Processing sheet with id=AN8, first strand: chain 'j' and resid 245 through 249 removed outlier: 6.602A pdb=" N TYR j 245 " --> pdb=" O SER j 261 " (cutoff:3.500A) removed outlier: 6.034A pdb=" N SER j 261 " --> pdb=" O TYR j 245 " (cutoff:3.500A) removed outlier: 4.201A pdb=" N ARG j 247 " --> pdb=" O TRP j 259 " (cutoff:3.500A) Processing sheet with id=AN9, first strand: chain 'j' and resid 315 through 319 removed outlier: 3.785A pdb=" N GLY j 322 " --> pdb=" O HIS j 319 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N GLN j 356 " --> pdb=" O VAL j 323 " (cutoff:3.500A) Processing sheet with id=AO1, first strand: chain 'k' and resid 185 through 188 removed outlier: 5.912A pdb=" N LEU k 194 " --> pdb=" O ARG k 221 " (cutoff:3.500A) removed outlier: 7.285A pdb=" N ILE k 223 " --> pdb=" O LEU k 194 " (cutoff:3.500A) removed outlier: 6.115A pdb=" N VAL k 196 " --> pdb=" O ILE k 223 " (cutoff:3.500A) Processing sheet with id=AO2, first strand: chain 'k' and resid 245 through 249 removed outlier: 6.867A pdb=" N TYR k 245 " --> pdb=" O SER k 261 " (cutoff:3.500A) removed outlier: 6.311A pdb=" N SER k 261 " --> pdb=" O TYR k 245 " (cutoff:3.500A) removed outlier: 4.158A pdb=" N ARG k 247 " --> pdb=" O TRP k 259 " (cutoff:3.500A) removed outlier: 6.067A pdb=" N PHE k 258 " --> pdb=" O THR k 292 " (cutoff:3.500A) removed outlier: 6.820A pdb=" N MET k 294 " --> pdb=" O PHE k 258 " (cutoff:3.500A) removed outlier: 6.233A pdb=" N LEU k 260 " --> pdb=" O MET k 294 " (cutoff:3.500A) Processing sheet with id=AO3, first strand: chain 'k' and resid 315 through 319 removed outlier: 3.603A pdb=" N GLY k 322 " --> pdb=" O HIS k 319 " (cutoff:3.500A) removed outlier: 6.985A pdb=" N VAL k 323 " --> pdb=" O GLN k 356 " (cutoff:3.500A) removed outlier: 8.042A pdb=" N ALA k 358 " --> pdb=" O VAL k 323 " (cutoff:3.500A) removed outlier: 6.582A pdb=" N PHE k 325 " --> pdb=" O ALA k 358 " (cutoff:3.500A) Processing sheet with id=AO4, first strand: chain 'l' and resid 185 through 188 removed outlier: 3.528A pdb=" N GLN l 185 " --> pdb=" O ALA l 197 " (cutoff:3.500A) Processing sheet with id=AO5, first strand: chain 'l' and resid 245 through 249 removed outlier: 7.366A pdb=" N TRP l 259 " --> pdb=" O TYR l 246 " (cutoff:3.500A) removed outlier: 4.735A pdb=" N ILE l 248 " --> pdb=" O VAL l 257 " (cutoff:3.500A) removed outlier: 6.697A pdb=" N VAL l 257 " --> pdb=" O ILE l 248 " (cutoff:3.500A) Processing sheet with id=AO6, first strand: chain 'l' and resid 315 through 319 removed outlier: 3.510A pdb=" N HIS l 319 " --> pdb=" O GLY l 322 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N GLY l 322 " --> pdb=" O HIS l 319 " (cutoff:3.500A) Processing sheet with id=AO7, first strand: chain 'l' and resid 371 through 373 Processing sheet with id=AO8, first strand: chain 'm' and resid 186 through 188 Processing sheet with id=AO9, first strand: chain 'm' and resid 245 through 249 removed outlier: 7.077A pdb=" N TYR m 245 " --> pdb=" O SER m 261 " (cutoff:3.500A) removed outlier: 6.407A pdb=" N SER m 261 " --> pdb=" O TYR m 245 " (cutoff:3.500A) removed outlier: 4.034A pdb=" N ARG m 247 " --> pdb=" O TRP m 259 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N TRP m 259 " --> pdb=" O ARG m 247 " (cutoff:3.500A) Processing sheet with id=AP1, first strand: chain 'm' and resid 315 through 319 removed outlier: 3.627A pdb=" N GLY m 322 " --> pdb=" O HIS m 319 " (cutoff:3.500A) Processing sheet with id=AP2, first strand: chain 'n' and resid 185 through 188 removed outlier: 6.157A pdb=" N LEU n 194 " --> pdb=" O ARG n 221 " (cutoff:3.500A) removed outlier: 7.427A pdb=" N ILE n 223 " --> pdb=" O LEU n 194 " (cutoff:3.500A) removed outlier: 6.142A pdb=" N VAL n 196 " --> pdb=" O ILE n 223 " (cutoff:3.500A) Processing sheet with id=AP3, first strand: chain 'n' and resid 245 through 249 removed outlier: 7.134A pdb=" N TRP n 259 " --> pdb=" O TYR n 246 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N ILE n 248 " --> pdb=" O VAL n 257 " (cutoff:3.500A) removed outlier: 6.325A pdb=" N VAL n 257 " --> pdb=" O ILE n 248 " (cutoff:3.500A) Processing sheet with id=AP4, first strand: chain 'n' and resid 315 through 319 removed outlier: 3.781A pdb=" N GLY n 322 " --> pdb=" O HIS n 319 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N GLN n 356 " --> pdb=" O VAL n 323 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N GLY n 329 " --> pdb=" O GLU n 360 " (cutoff:3.500A) Processing sheet with id=AP5, first strand: chain 'o' and resid 22 through 25 removed outlier: 3.944A pdb=" N LEU o 24 " --> pdb=" O ILE o 58 " (cutoff:3.500A) Processing sheet with id=AP6, first strand: chain 'o' and resid 123 through 130 removed outlier: 6.699A pdb=" N VAL o 153 " --> pdb=" O LEU o 124 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N ALA o 126 " --> pdb=" O LEU o 151 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N LEU o 151 " --> pdb=" O ALA o 126 " (cutoff:3.500A) removed outlier: 4.424A pdb=" N VAL o 128 " --> pdb=" O SER o 149 " (cutoff:3.500A) removed outlier: 6.666A pdb=" N SER o 149 " --> pdb=" O VAL o 128 " (cutoff:3.500A) Processing sheet with id=AP7, first strand: chain 'p' and resid 21 through 27 removed outlier: 3.786A pdb=" N LYS p 21 " --> pdb=" O VAL p 60 " (cutoff:3.500A) removed outlier: 7.082A pdb=" N ILE p 58 " --> pdb=" O LEU p 23 " (cutoff:3.500A) removed outlier: 4.842A pdb=" N LYS p 25 " --> pdb=" O TYR p 56 " (cutoff:3.500A) removed outlier: 6.875A pdb=" N TYR p 56 " --> pdb=" O LYS p 25 " (cutoff:3.500A) Processing sheet with id=AP8, first strand: chain 'p' and resid 123 through 130 removed outlier: 3.689A pdb=" N SER p 125 " --> pdb=" O VAL p 153 " (cutoff:3.500A) removed outlier: 3.574A pdb=" N ALA p 152 " --> pdb=" O VAL p 186 " (cutoff:3.500A) Processing sheet with id=AP9, first strand: chain 'q' and resid 21 through 27 removed outlier: 5.131A pdb=" N ASP q 22 " --> pdb=" O VAL q 60 " (cutoff:3.500A) removed outlier: 6.353A pdb=" N VAL q 60 " --> pdb=" O ASP q 22 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N LEU q 24 " --> pdb=" O ILE q 58 " (cutoff:3.500A) removed outlier: 5.553A pdb=" N TYR q 56 " --> pdb=" O GLY q 26 " (cutoff:3.500A) Processing sheet with id=AQ1, first strand: chain 'q' and resid 123 through 130 removed outlier: 6.774A pdb=" N VAL q 153 " --> pdb=" O LEU q 124 " (cutoff:3.500A) removed outlier: 4.403A pdb=" N ALA q 126 " --> pdb=" O LEU q 151 " (cutoff:3.500A) removed outlier: 6.510A pdb=" N LEU q 151 " --> pdb=" O ALA q 126 " (cutoff:3.500A) removed outlier: 4.321A pdb=" N VAL q 128 " --> pdb=" O SER q 149 " (cutoff:3.500A) removed outlier: 6.446A pdb=" N SER q 149 " --> pdb=" O VAL q 128 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N SER q 184 " --> pdb=" O LEU q 148 " (cutoff:3.500A) Processing sheet with id=AQ2, first strand: chain 'r' and resid 21 through 27 removed outlier: 5.755A pdb=" N ASP r 22 " --> pdb=" O VAL r 60 " (cutoff:3.500A) removed outlier: 7.148A pdb=" N VAL r 60 " --> pdb=" O ASP r 22 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N LEU r 24 " --> pdb=" O ILE r 58 " (cutoff:3.500A) removed outlier: 5.323A pdb=" N TYR r 56 " --> pdb=" O GLY r 26 " (cutoff:3.500A) Processing sheet with id=AQ3, first strand: chain 'r' and resid 123 through 130 removed outlier: 6.890A pdb=" N VAL r 153 " --> pdb=" O LEU r 124 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N ALA r 126 " --> pdb=" O LEU r 151 " (cutoff:3.500A) removed outlier: 6.554A pdb=" N LEU r 151 " --> pdb=" O ALA r 126 " (cutoff:3.500A) removed outlier: 4.599A pdb=" N VAL r 128 " --> pdb=" O SER r 149 " (cutoff:3.500A) removed outlier: 6.700A pdb=" N SER r 149 " --> pdb=" O VAL r 128 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N SER r 184 " --> pdb=" O LEU r 148 " (cutoff:3.500A) Processing sheet with id=AQ4, first strand: chain 's' and resid 21 through 27 removed outlier: 5.337A pdb=" N ASP s 22 " --> pdb=" O VAL s 60 " (cutoff:3.500A) removed outlier: 6.531A pdb=" N VAL s 60 " --> pdb=" O ASP s 22 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N LEU s 24 " --> pdb=" O ILE s 58 " (cutoff:3.500A) removed outlier: 5.357A pdb=" N TYR s 56 " --> pdb=" O GLY s 26 " (cutoff:3.500A) Processing sheet with id=AQ5, first strand: chain 's' and resid 123 through 130 removed outlier: 6.657A pdb=" N VAL s 153 " --> pdb=" O LEU s 124 " (cutoff:3.500A) removed outlier: 4.220A pdb=" N ALA s 126 " --> pdb=" O LEU s 151 " (cutoff:3.500A) removed outlier: 6.377A pdb=" N LEU s 151 " --> pdb=" O ALA s 126 " (cutoff:3.500A) removed outlier: 4.084A pdb=" N VAL s 128 " --> pdb=" O SER s 149 " (cutoff:3.500A) removed outlier: 6.389A pdb=" N SER s 149 " --> pdb=" O VAL s 128 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N SER s 184 " --> pdb=" O LEU s 148 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N ALA s 152 " --> pdb=" O VAL s 186 " (cutoff:3.500A) Processing sheet with id=AQ6, first strand: chain 't' and resid 21 through 27 removed outlier: 5.180A pdb=" N ASP t 22 " --> pdb=" O VAL t 60 " (cutoff:3.500A) removed outlier: 6.370A pdb=" N VAL t 60 " --> pdb=" O ASP t 22 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N LEU t 24 " --> pdb=" O ILE t 58 " (cutoff:3.500A) removed outlier: 5.294A pdb=" N TYR t 56 " --> pdb=" O GLY t 26 " (cutoff:3.500A) Processing sheet with id=AQ7, first strand: chain 't' and resid 123 through 130 removed outlier: 3.924A pdb=" N SER t 125 " --> pdb=" O VAL t 153 " (cutoff:3.500A) Processing sheet with id=AQ8, first strand: chain 'u' and resid 21 through 27 removed outlier: 7.003A pdb=" N ILE u 58 " --> pdb=" O LEU u 23 " (cutoff:3.500A) removed outlier: 4.812A pdb=" N LYS u 25 " --> pdb=" O TYR u 56 " (cutoff:3.500A) removed outlier: 6.779A pdb=" N TYR u 56 " --> pdb=" O LYS u 25 " (cutoff:3.500A) Processing sheet with id=AQ9, first strand: chain 'u' and resid 123 through 130 removed outlier: 6.684A pdb=" N VAL u 153 " --> pdb=" O LEU u 124 " (cutoff:3.500A) removed outlier: 4.444A pdb=" N ALA u 126 " --> pdb=" O LEU u 151 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N LEU u 151 " --> pdb=" O ALA u 126 " (cutoff:3.500A) removed outlier: 4.499A pdb=" N VAL u 128 " --> pdb=" O SER u 149 " (cutoff:3.500A) removed outlier: 6.687A pdb=" N SER u 149 " --> pdb=" O VAL u 128 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N SER u 184 " --> pdb=" O LEU u 148 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ALA u 152 " --> pdb=" O VAL u 186 " (cutoff:3.500A) Processing sheet with id=AR1, first strand: chain 'v' and resid 21 through 27 removed outlier: 7.078A pdb=" N LEU v 23 " --> pdb=" O VAL v 60 " (cutoff:3.500A) removed outlier: 8.763A pdb=" N VAL v 60 " --> pdb=" O LEU v 23 " (cutoff:3.500A) removed outlier: 5.728A pdb=" N LYS v 25 " --> pdb=" O ILE v 58 " (cutoff:3.500A) removed outlier: 6.902A pdb=" N ILE v 58 " --> pdb=" O LYS v 25 " (cutoff:3.500A) Processing sheet with id=AR2, first strand: chain 'v' and resid 123 through 130 removed outlier: 6.654A pdb=" N VAL v 153 " --> pdb=" O LEU v 124 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N ALA v 126 " --> pdb=" O LEU v 151 " (cutoff:3.500A) removed outlier: 6.521A pdb=" N LEU v 151 " --> pdb=" O ALA v 126 " (cutoff:3.500A) removed outlier: 4.545A pdb=" N VAL v 128 " --> pdb=" O SER v 149 " (cutoff:3.500A) removed outlier: 6.679A pdb=" N SER v 149 " --> pdb=" O VAL v 128 " (cutoff:3.500A) Processing sheet with id=AR3, first strand: chain 'w' and resid 21 through 25 removed outlier: 3.564A pdb=" N LYS w 21 " --> pdb=" O VAL w 60 " (cutoff:3.500A) removed outlier: 6.834A pdb=" N ILE w 58 " --> pdb=" O LEU w 23 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N LYS w 25 " --> pdb=" O TYR w 56 " (cutoff:3.500A) removed outlier: 6.536A pdb=" N TYR w 56 " --> pdb=" O LYS w 25 " (cutoff:3.500A) Processing sheet with id=AR4, first strand: chain 'w' and resid 123 through 130 removed outlier: 6.777A pdb=" N VAL w 153 " --> pdb=" O LEU w 124 " (cutoff:3.500A) removed outlier: 4.423A pdb=" N ALA w 126 " --> pdb=" O LEU w 151 " (cutoff:3.500A) removed outlier: 6.556A pdb=" N LEU w 151 " --> pdb=" O ALA w 126 " (cutoff:3.500A) removed outlier: 4.421A pdb=" N VAL w 128 " --> pdb=" O SER w 149 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N SER w 149 " --> pdb=" O VAL w 128 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N SER w 184 " --> pdb=" O LEU w 148 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N ALA w 152 " --> pdb=" O VAL w 186 " (cutoff:3.500A) Processing sheet with id=AR5, first strand: chain 'x' and resid 22 through 27 removed outlier: 5.972A pdb=" N LYS x 25 " --> pdb=" O ILE x 58 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N ILE x 58 " --> pdb=" O LYS x 25 " (cutoff:3.500A) Processing sheet with id=AR6, first strand: chain 'x' and resid 123 through 130 removed outlier: 6.709A pdb=" N VAL x 153 " --> pdb=" O LEU x 124 " (cutoff:3.500A) removed outlier: 4.290A pdb=" N ALA x 126 " --> pdb=" O LEU x 151 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N LEU x 151 " --> pdb=" O ALA x 126 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N VAL x 128 " --> pdb=" O SER x 149 " (cutoff:3.500A) removed outlier: 6.501A pdb=" N SER x 149 " --> pdb=" O VAL x 128 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N SER x 184 " --> pdb=" O LEU x 148 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N ALA x 152 " --> pdb=" O VAL x 186 " (cutoff:3.500A) Processing sheet with id=AR7, first strand: chain 'y' and resid 21 through 27 removed outlier: 6.894A pdb=" N LEU y 23 " --> pdb=" O VAL y 60 " (cutoff:3.500A) removed outlier: 8.717A pdb=" N VAL y 60 " --> pdb=" O LEU y 23 " (cutoff:3.500A) removed outlier: 6.026A pdb=" N LYS y 25 " --> pdb=" O ILE y 58 " (cutoff:3.500A) removed outlier: 7.444A pdb=" N ILE y 58 " --> pdb=" O LYS y 25 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N LEU y 27 " --> pdb=" O TYR y 56 " (cutoff:3.500A) Processing sheet with id=AR8, first strand: chain 'y' and resid 123 through 130 removed outlier: 3.781A pdb=" N SER y 125 " --> pdb=" O VAL y 153 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N SER y 184 " --> pdb=" O LEU y 148 " (cutoff:3.500A) Processing sheet with id=AR9, first strand: chain 'z' and resid 22 through 27 removed outlier: 3.732A pdb=" N LEU z 24 " --> pdb=" O ILE z 58 " (cutoff:3.500A) removed outlier: 5.831A pdb=" N TYR z 56 " --> pdb=" O GLY z 26 " (cutoff:3.500A) Processing sheet with id=AS1, first strand: chain 'z' and resid 123 through 130 removed outlier: 6.594A pdb=" N VAL z 153 " --> pdb=" O LEU z 124 " (cutoff:3.500A) removed outlier: 4.320A pdb=" N ALA z 126 " --> pdb=" O LEU z 151 " (cutoff:3.500A) removed outlier: 6.514A pdb=" N LEU z 151 " --> pdb=" O ALA z 126 " (cutoff:3.500A) removed outlier: 4.432A pdb=" N VAL z 128 " --> pdb=" O SER z 149 " (cutoff:3.500A) removed outlier: 6.607A pdb=" N SER z 149 " --> pdb=" O VAL z 128 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N SER z 184 " --> pdb=" O LEU z 148 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N ALA z 152 " --> pdb=" O VAL z 186 " (cutoff:3.500A) Processing sheet with id=AS2, first strand: chain 'AJ' and resid 21 through 27 removed outlier: 5.491A pdb=" N ASPAJ 22 " --> pdb=" O VALAJ 60 " (cutoff:3.500A) removed outlier: 6.690A pdb=" N VALAJ 60 " --> pdb=" O ASPAJ 22 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LEUAJ 24 " --> pdb=" O ILEAJ 58 " (cutoff:3.500A) removed outlier: 5.388A pdb=" N TYRAJ 56 " --> pdb=" O GLYAJ 26 " (cutoff:3.500A) Processing sheet with id=AS3, first strand: chain 'AJ' and resid 123 through 130 removed outlier: 3.676A pdb=" N SERAJ 125 " --> pdb=" O VALAJ 153 " (cutoff:3.500A) removed outlier: 7.051A pdb=" N LEUAJ 148 " --> pdb=" O SERAJ 184 " (cutoff:3.500A) removed outlier: 8.567A pdb=" N VALAJ 186 " --> pdb=" O LEUAJ 148 " (cutoff:3.500A) removed outlier: 6.477A pdb=" N ALAAJ 150 " --> pdb=" O VALAJ 186 " (cutoff:3.500A) removed outlier: 8.161A pdb=" N SERAJ 188 " --> pdb=" O ALAAJ 150 " (cutoff:3.500A) removed outlier: 6.363A pdb=" N ALAAJ 152 " --> pdb=" O SERAJ 188 " (cutoff:3.500A) Processing sheet with id=AS4, first strand: chain 'AK' and resid 21 through 27 removed outlier: 5.378A pdb=" N ASPAK 22 " --> pdb=" O VALAK 60 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N VALAK 60 " --> pdb=" O ASPAK 22 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N LEUAK 24 " --> pdb=" O ILEAK 58 " (cutoff:3.500A) removed outlier: 5.619A pdb=" N TYRAK 56 " --> pdb=" O GLYAK 26 " (cutoff:3.500A) Processing sheet with id=AS5, first strand: chain 'AK' and resid 123 through 130 removed outlier: 3.877A pdb=" N SERAK 125 " --> pdb=" O VALAK 153 " (cutoff:3.500A) removed outlier: 7.117A pdb=" N LEUAK 148 " --> pdb=" O SERAK 184 " (cutoff:3.500A) removed outlier: 8.592A pdb=" N VALAK 186 " --> pdb=" O LEUAK 148 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N ALAAK 150 " --> pdb=" O VALAK 186 " (cutoff:3.500A) removed outlier: 8.035A pdb=" N SERAK 188 " --> pdb=" O ALAAK 150 " (cutoff:3.500A) removed outlier: 6.317A pdb=" N ALAAK 152 " --> pdb=" O SERAK 188 " (cutoff:3.500A) Processing sheet with id=AS6, first strand: chain '5' and resid 163 through 164 removed outlier: 3.669A pdb=" N TYR 5 254 " --> pdb=" O THR 5 164 " (cutoff:3.500A) 4410 hydrogen bonds defined for protein. 12660 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: 58.46 Time building geometry restraints manager: 36.00 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.20 - 1.32: 23350 1.32 - 1.45: 29481 1.45 - 1.57: 67112 1.57 - 1.70: 12 1.70 - 1.82: 744 Bond restraints: 120699 Sorted by residual: bond pdb=" CG1 ILEAE 130 " pdb=" CD1 ILEAE 130 " ideal model delta sigma weight residual 1.513 1.401 0.112 3.90e-02 6.57e+02 8.32e+00 bond pdb=" N VAL v 83 " pdb=" CA VAL v 83 " ideal model delta sigma weight residual 1.459 1.493 -0.035 1.20e-02 6.94e+03 8.31e+00 bond pdb=" N ILE v 72 " pdb=" CA ILE v 72 " ideal model delta sigma weight residual 1.461 1.494 -0.034 1.19e-02 7.06e+03 7.96e+00 bond pdb=" C THR 1 195 " pdb=" N PRO 1 196 " ideal model delta sigma weight residual 1.334 1.397 -0.063 2.34e-02 1.83e+03 7.36e+00 bond pdb=" CG ARG 0 109 " pdb=" CD ARG 0 109 " ideal model delta sigma weight residual 1.520 1.439 0.081 3.00e-02 1.11e+03 7.21e+00 ... (remaining 120694 not shown) Histogram of bond angle deviations from ideal: 97.02 - 104.64: 2156 104.64 - 112.26: 56959 112.26 - 119.88: 51447 119.88 - 127.50: 51765 127.50 - 135.12: 1132 Bond angle restraints: 163459 Sorted by residual: angle pdb=" N ILE x 134 " pdb=" CA ILE x 134 " pdb=" C ILE x 134 " ideal model delta sigma weight residual 113.71 106.60 7.11 9.50e-01 1.11e+00 5.60e+01 angle pdb=" CA LEU A 90 " pdb=" CB LEU A 90 " pdb=" CG LEU A 90 " ideal model delta sigma weight residual 116.30 134.93 -18.63 3.50e+00 8.16e-02 2.83e+01 angle pdb=" N LEU 1 167 " pdb=" CA LEU 1 167 " pdb=" C LEU 1 167 " ideal model delta sigma weight residual 109.81 121.31 -11.50 2.21e+00 2.05e-01 2.71e+01 angle pdb=" CA ARG H 143 " pdb=" CB ARG H 143 " pdb=" CG ARG H 143 " ideal model delta sigma weight residual 114.10 124.47 -10.37 2.00e+00 2.50e-01 2.69e+01 angle pdb=" C PRO G 29 " pdb=" N VAL G 30 " pdb=" CA VAL G 30 " ideal model delta sigma weight residual 121.97 131.18 -9.21 1.80e+00 3.09e-01 2.62e+01 ... (remaining 163454 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 18.01: 65481 18.01 - 36.01: 6341 36.01 - 54.02: 983 54.02 - 72.02: 156 72.02 - 90.03: 85 Dihedral angle restraints: 73046 sinusoidal: 29615 harmonic: 43431 Sorted by residual: dihedral pdb=" CA GLN 8 41 " pdb=" C GLN 8 41 " pdb=" N LEU 8 42 " pdb=" CA LEU 8 42 " ideal model delta harmonic sigma weight residual 180.00 135.81 44.19 0 5.00e+00 4.00e-02 7.81e+01 dihedral pdb=" CA LEU b 366 " pdb=" C LEU b 366 " pdb=" N LYS b 367 " pdb=" CA LYS b 367 " ideal model delta harmonic sigma weight residual -180.00 -145.99 -34.01 0 5.00e+00 4.00e-02 4.63e+01 dihedral pdb=" CA LEU k 366 " pdb=" C LEU k 366 " pdb=" N LYS k 367 " pdb=" CA LYS k 367 " ideal model delta harmonic sigma weight residual 180.00 -151.08 -28.92 0 5.00e+00 4.00e-02 3.34e+01 ... (remaining 73043 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.095: 15859 0.095 - 0.189: 1920 0.189 - 0.284: 102 0.284 - 0.378: 9 0.378 - 0.473: 2 Chirality restraints: 17892 Sorted by residual: chirality pdb=" CB ILE Q 28 " pdb=" CA ILE Q 28 " pdb=" CG1 ILE Q 28 " pdb=" CG2 ILE Q 28 " both_signs ideal model delta sigma weight residual False 2.64 2.17 0.47 2.00e-01 2.50e+01 5.59e+00 chirality pdb=" CB ILE j 359 " pdb=" CA ILE j 359 " pdb=" CG1 ILE j 359 " pdb=" CG2 ILE j 359 " both_signs ideal model delta sigma weight residual False 2.64 2.23 0.42 2.00e-01 2.50e+01 4.40e+00 chirality pdb=" CB VAL z 60 " pdb=" CA VAL z 60 " pdb=" CG1 VAL z 60 " pdb=" CG2 VAL z 60 " both_signs ideal model delta sigma weight residual False -2.63 -2.26 -0.37 2.00e-01 2.50e+01 3.48e+00 ... (remaining 17889 not shown) Planarity restraints: 21209 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CA GLU Z 335 " 0.027 2.00e-02 2.50e+03 5.32e-02 2.83e+01 pdb=" C GLU Z 335 " -0.092 2.00e-02 2.50e+03 pdb=" O GLU Z 335 " 0.034 2.00e-02 2.50e+03 pdb=" N ILE Z 336 " 0.031 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CA GLU W 227 " -0.026 2.00e-02 2.50e+03 5.18e-02 2.68e+01 pdb=" C GLU W 227 " 0.090 2.00e-02 2.50e+03 pdb=" O GLU W 227 " -0.033 2.00e-02 2.50e+03 pdb=" N GLU W 228 " -0.031 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CA GLU W 228 " 0.026 2.00e-02 2.50e+03 5.15e-02 2.66e+01 pdb=" C GLU W 228 " -0.089 2.00e-02 2.50e+03 pdb=" O GLU W 228 " 0.033 2.00e-02 2.50e+03 pdb=" N ASN W 229 " 0.030 2.00e-02 2.50e+03 ... (remaining 21206 not shown) Histogram of nonbonded interaction distances: 2.21 - 2.75: 19692 2.75 - 3.29: 102560 3.29 - 3.83: 181445 3.83 - 4.36: 211448 4.36 - 4.90: 371912 Nonbonded interactions: 887057 Sorted by model distance: nonbonded pdb=" O GLNAS 24 " pdb=" OG1 THRAS 28 " model vdw 2.214 2.440 nonbonded pdb=" O ASN k 200 " pdb=" OG1 THR k 204 " model vdw 2.224 2.440 nonbonded pdb=" O VAL 2 191 " pdb=" OG1 THR 2 195 " model vdw 2.226 2.440 nonbonded pdb=" O ASN X 200 " pdb=" OG1 THR X 204 " model vdw 2.229 2.440 nonbonded pdb=" OD2 ASP J 40 " pdb=" OG1 THR J 44 " model vdw 2.240 2.440 ... (remaining 887052 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' and resid 3 through 220) selection = (chain '1' and (resid 3 through 118 or resid 141 through 220)) selection = (chain '2' and (resid 3 through 118 or resid 141 through 220)) selection = (chain '3' and (resid 3 through 118 or resid 141 through 220)) selection = (chain '4' and (resid 3 through 118 or resid 141 through 220)) } ncs_group { reference = chain '7' selection = chain '8' selection = (chain '9' and ((resid 1 and (name N or name CA or name C or name O or name CB ) \ ) or resid 2 through 84)) } ncs_group { reference = (chain 'A' and (resid 32 through 42 or resid 44 through 170)) selection = (chain 'B' and (resid 32 through 42 or resid 44 through 170)) selection = (chain 'C' and (resid 32 through 42 or resid 44 through 170)) selection = (chain 'D' and (resid 32 through 42 or resid 44 through 170)) selection = (chain 'F' and (resid 32 through 42 or resid 44 through 170)) selection = (chain 'G' and (resid 32 through 42 or resid 44 through 170)) selection = (chain 'H' and (resid 32 through 42 or resid 44 through 170)) selection = (chain 'I' and (resid 32 through 42 or resid 44 through 170)) selection = (chain 'J' and (resid 32 through 42 or resid 44 through 170)) selection = (chain 'K' and (resid 32 through 42 or resid 44 through 170)) selection = (chain 'L' and (resid 32 through 42 or resid 44 through 170)) selection = (chain 'M' and (resid 32 through 42 or resid 44 through 170)) selection = (chain 'N' and (resid 32 through 42 or resid 44 through 170)) selection = (chain 'O' and (resid 32 through 42 or resid 44 through 170)) selection = (chain 'P' and (resid 32 through 42 or resid 44 through 170)) selection = (chain 'Q' and (resid 32 through 42 or resid 44 through 170)) } ncs_group { reference = chain 'AA' selection = chain 'AB' selection = chain 'AC' selection = chain 'AD' selection = chain 'AE' selection = chain 'AF' selection = chain 'AG' selection = chain 'AH' selection = chain 'AI' selection = chain 'AJ' selection = chain 'AK' selection = chain 'AL' selection = chain 'o' selection = chain 'p' selection = chain 'q' selection = chain 'r' selection = chain 's' selection = chain 't' selection = chain 'u' selection = chain 'v' selection = chain 'w' selection = chain 'x' selection = chain 'y' selection = chain 'z' } ncs_group { reference = (chain 'AN' and resid 31 through 101) selection = (chain 'AO' and resid 31 through 101) selection = (chain 'AP' and resid 31 through 101) selection = (chain 'AQ' and resid 31 through 101) selection = (chain 'AR' and resid 31 through 101) } ncs_group { reference = chain 'AS' selection = chain 'AT' selection = chain 'AU' selection = chain 'AV' selection = chain 'AW' } ncs_group { reference = chain 'AX' selection = (chain 'AY' and resid 8 through 80) } ncs_group { reference = (chain 'AZ' and (resid 3 through 26 or resid 51 through 80)) selection = chain 'BA' } ncs_group { reference = (chain 'BB' and (resid 3 through 19 or resid 55 through 80)) selection = (chain 'BC' and (resid 3 through 19 or resid 55 through 80)) selection = (chain 'BD' and (resid 3 through 19 or resid 55 through 80)) selection = chain 'BE' } ncs_group { reference = (chain 'E' and (resid 171 through 389 or (resid 390 and (name N or name CA or na \ me C or name O or name CB )) or resid 391)) selection = (chain 'R' and (resid 171 through 389 or (resid 390 and (name N or name CA or na \ me C or name O or name CB )) or resid 391)) selection = (chain 'S' and resid 171 through 391) selection = (chain 'T' and (resid 171 through 389 or (resid 390 and (name N or name CA or na \ me C or name O or name CB )) or resid 391)) selection = (chain 'U' and (resid 171 through 389 or (resid 390 and (name N or name CA or na \ me C or name O or name CB )) or resid 391)) selection = (chain 'V' and resid 171 through 391) selection = (chain 'W' and (resid 171 through 389 or (resid 390 and (name N or name CA or na \ me C or name O or name CB )) or resid 391)) selection = (chain 'X' and (resid 171 through 389 or (resid 390 and (name N or name CA or na \ me C or name O or name CB )) or resid 391)) selection = (chain 'Y' and resid 171 through 391) selection = (chain 'Z' and (resid 171 through 389 or (resid 390 and (name N or name CA or na \ me C or name O or name CB )) or resid 391)) selection = (chain 'a' and (resid 171 through 389 or (resid 390 and (name N or name CA or na \ me C or name O or name CB )) or resid 391)) selection = (chain 'b' and resid 171 through 391) selection = (chain 'c' and (resid 171 through 389 or (resid 390 and (name N or name CA or na \ me C or name O or name CB )) or resid 391)) selection = (chain 'd' and (resid 171 through 389 or (resid 390 and (name N or name CA or na \ me C or name O or name CB )) or resid 391)) selection = (chain 'e' and resid 171 through 391) selection = (chain 'f' and (resid 171 through 389 or (resid 390 and (name N or name CA or na \ me C or name O or name CB )) or resid 391)) selection = (chain 'g' and (resid 171 through 389 or (resid 390 and (name N or name CA or na \ me C or name O or name CB )) or resid 391)) selection = (chain 'h' and resid 171 through 391) selection = (chain 'i' and (resid 171 through 389 or (resid 390 and (name N or name CA or na \ me C or name O or name CB )) or resid 391)) selection = (chain 'j' and (resid 171 through 389 or (resid 390 and (name N or name CA or na \ me C or name O or name CB )) or resid 391)) selection = (chain 'k' and resid 171 through 391) selection = (chain 'l' and (resid 171 through 389 or (resid 390 and (name N or name CA or na \ me C or name O or name CB )) or resid 391)) selection = (chain 'm' and (resid 171 through 389 or (resid 390 and (name N or name CA or na \ me C or name O or name CB )) or resid 391)) selection = (chain 'n' and resid 171 through 391) } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=0.40 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: 0.900 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: 11.920 Check model and map are aligned: 1.300 Set scattering table: 0.770 Process input model: 236.080 Find NCS groups from input model: 7.060 Set up NCS constraints: 1.170 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.010 Load rotamer database and sin/cos tables:2.190 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 261.480 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8280 moved from start: 0.0000 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.007 0.139 120699 Z= 0.468 Angle : 1.049 18.630 163459 Z= 0.580 Chirality : 0.060 0.473 17892 Planarity : 0.009 0.099 21209 Dihedral : 14.235 90.027 45045 Min Nonbonded Distance : 2.214 Molprobity Statistics. All-atom Clashscore : 3.99 Ramachandran Plot: Outliers : 0.03 % Allowed : 3.58 % Favored : 96.39 % Rotamer Outliers : 0.67 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.08 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.01 % 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: -5.13 (0.05), residues: 14587 helix: -4.59 (0.03), residues: 6002 sheet: -1.57 (0.09), residues: 2904 loop : -2.76 (0.06), residues: 5681 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29174 Ramachandran restraints generated. 14587 Oldfield, 0 Emsley, 14587 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29174 Ramachandran restraints generated. 14587 Oldfield, 0 Emsley, 14587 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3616 residues out of total 12670 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 85 poor density : 3531 time to evaluate : 10.835 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 85 outliers final: 25 residues processed: 3584 average time/residue: 1.0730 time to fit residues: 6473.2176 Evaluate side-chains 2034 residues out of total 12670 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 25 poor density : 2009 time to evaluate : 10.762 Switching outliers to nearest non-outliers outliers start: 25 outliers final: 0 residues processed: 25 average time/residue: 0.7734 time to fit residues: 52.2276 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1435 random chunks: chunk 1211 optimal weight: 6.9990 chunk 1087 optimal weight: 1.9990 chunk 603 optimal weight: 2.9990 chunk 371 optimal weight: 0.9980 chunk 733 optimal weight: 4.9990 chunk 581 optimal weight: 5.9990 chunk 1124 optimal weight: 3.9990 chunk 435 optimal weight: 9.9990 chunk 683 optimal weight: 0.9980 chunk 837 optimal weight: 0.0570 chunk 1303 optimal weight: 5.9990 overall best weight: 1.4102 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: AB 29 GLN AB 139 ASN AB 194 GLN AC 29 GLN AC 40 GLN ** AC 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AD 29 GLN AD 76 GLN AD 118 GLN ** AD 163 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AE 29 GLN AE 162 HIS ** AE 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AG 29 GLN AG 182 ASN ** AH 163 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AI 163 GLN ** AI 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 71 ASN ** A 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 169 GLN B 169 GLN B 170 ASN C 123 ASN C 161 ASN C 169 GLN D 75 HIS D 87 GLN E 199 GLN E 224 ASN E 318 ASN F 71 ASN F 97 GLN G 97 GLN G 124 ASN G 170 ASN H 87 GLN I 78 ASN I 169 GLN J 87 GLN J 97 GLN L 87 GLN L 97 GLN M 75 HIS N 97 GLN N 170 ASN O 169 GLN ** P 87 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 87 GLN Q 97 GLN Q 169 GLN R 219 ASN R 229 ASN R 265 ASN R 328 GLN S 219 ASN S 318 ASN T 209 GLN T 309 GLN ** U 224 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 302 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 318 ASN U 356 GLN V 310 GLN V 318 ASN W 229 ASN W 318 ASN X 229 ASN X 318 ASN X 328 GLN Y 265 ASN Z 199 GLN Z 209 GLN ** Z 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 265 ASN Z 309 GLN Z 328 GLN AL 29 GLN AL 173 ASN a 229 ASN a 309 GLN a 318 ASN b 219 ASN b 224 ASN b 318 ASN c 209 GLN c 219 ASN c 263 GLN c 318 ASN ** d 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 318 ASN d 356 GLN e 310 GLN ** e 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 356 GLN f 356 GLN g 229 ASN g 309 GLN g 310 GLN ** g 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 310 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 318 ASN i 249 HIS i 318 ASN ** j 199 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 209 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 309 GLN j 328 GLN ** k 310 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 318 ASN ** k 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 209 GLN l 229 ASN ** l 310 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 219 ASN m 318 ASN ** n 341 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 162 HIS ** o 163 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 33 ASN ** p 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 29 GLN q 147 HIS r 29 GLN r 40 GLN r 147 HIS r 163 GLN s 111 GLN t 29 GLN t 173 ASN u 29 GLN u 40 GLN v 29 GLN v 33 ASN ** v 139 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 29 GLN ** x 29 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 76 GLN x 139 ASN x 162 HIS ** x 163 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 29 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 115 GLN z 29 GLN ** z 139 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 29 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AJ 162 HIS AK 29 GLN AK 111 GLN AK 118 GLN ** 0 53 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 49 ASN ** 5 10 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 5 104 ASN 5 105 GLN 5 127 ASN 5 130 ASN ** 5 175 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 245 GLN 7 9 ASN 7 37 GLN 8 37 GLN 9 37 GLN AP 53 ASN AP 59 ASN ** AQ 71 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 78 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AS 22 ASN AS 48 GLN ** AS 61 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AT 22 ASN AU 78 ASN AV 22 ASN AV 24 GLN AW 24 GLN ** AW 63 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AX 78 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AZ 26 GLN AZ 78 ASN BA 26 GLN ** BD 59 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BD 61 GLN Total number of N/Q/H flips: 145 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8266 moved from start: 0.2412 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.095 120699 Z= 0.182 Angle : 0.602 11.149 163459 Z= 0.313 Chirality : 0.043 0.249 17892 Planarity : 0.005 0.068 21209 Dihedral : 5.046 77.026 16355 Min Nonbonded Distance : 1.981 Molprobity Statistics. All-atom Clashscore : 8.17 Ramachandran Plot: Outliers : 0.03 % Allowed : 3.29 % Favored : 96.69 % Rotamer Outliers : 0.19 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.08 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.01 % 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: -3.26 (0.06), residues: 14587 helix: -2.50 (0.05), residues: 6093 sheet: -0.89 (0.09), residues: 2880 loop : -2.25 (0.07), residues: 5614 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29174 Ramachandran restraints generated. 14587 Oldfield, 0 Emsley, 14587 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29174 Ramachandran restraints generated. 14587 Oldfield, 0 Emsley, 14587 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2833 residues out of total 12670 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 24 poor density : 2809 time to evaluate : 10.877 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 24 outliers final: 6 residues processed: 2826 average time/residue: 1.0393 time to fit residues: 5059.6238 Evaluate side-chains 1979 residues out of total 12670 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 6 poor density : 1973 time to evaluate : 10.820 Switching outliers to nearest non-outliers outliers start: 6 outliers final: 0 residues processed: 6 average time/residue: 0.8262 time to fit residues: 23.6272 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1435 random chunks: chunk 724 optimal weight: 7.9990 chunk 404 optimal weight: 8.9990 chunk 1084 optimal weight: 0.5980 chunk 887 optimal weight: 5.9990 chunk 359 optimal weight: 0.0770 chunk 1305 optimal weight: 8.9990 chunk 1410 optimal weight: 8.9990 chunk 1162 optimal weight: 1.9990 chunk 1294 optimal weight: 2.9990 chunk 445 optimal weight: 1.9990 chunk 1047 optimal weight: 5.9990 overall best weight: 1.5344 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: AC 87 GLN AF 29 GLN AG 87 GLN ** AH 29 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AH 173 ASN ** AI 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AI 182 ASN ** A 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 169 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 161 ASN C 169 GLN D 75 HIS ** D 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 219 ASN E 224 ASN H 97 GLN K 120 ASN M 75 HIS P 169 GLN ** Q 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 309 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 224 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 302 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 341 GLN ** Z 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 265 ASN AL 147 HIS AL 173 ASN ** a 226 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 224 ASN d 219 ASN ** d 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 319 HIS ** e 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 224 ASN ** h 310 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 229 ASN ** j 199 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 229 ASN k 229 ASN k 310 GLN ** k 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 199 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 229 ASN ** l 310 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 229 ASN m 385 HIS n 224 ASN n 319 HIS ** n 341 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 139 ASN ** o 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 29 GLN p 118 GLN p 147 HIS ** q 40 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 29 GLN u 29 GLN u 40 GLN v 33 ASN ** v 139 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 29 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 29 GLN ** z 139 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 29 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 163 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 91 HIS 5 104 ASN 5 105 GLN ** 5 175 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 9 ASN 7 77 GLN 9 37 GLN 9 77 GLN AM 71 GLN AN 71 GLN ** AQ 49 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 71 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AQ 78 ASN AS 26 GLN ** AS 61 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AW 63 ASN AX 26 GLN ** AX 78 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 59 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BE 77 GLN Total number of N/Q/H flips: 54 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8276 moved from start: 0.2962 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.052 120699 Z= 0.172 Angle : 0.564 10.888 163459 Z= 0.290 Chirality : 0.042 0.247 17892 Planarity : 0.004 0.064 21209 Dihedral : 4.724 75.779 16355 Min Nonbonded Distance : 2.093 Molprobity Statistics. All-atom Clashscore : 8.09 Ramachandran Plot: Outliers : 0.03 % Allowed : 3.29 % Favored : 96.69 % Rotamer Outliers : 0.09 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.08 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.01 % 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: -2.14 (0.06), residues: 14587 helix: -1.22 (0.06), residues: 6099 sheet: -0.62 (0.10), residues: 2944 loop : -1.93 (0.07), residues: 5544 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29174 Ramachandran restraints generated. 14587 Oldfield, 0 Emsley, 14587 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29174 Ramachandran restraints generated. 14587 Oldfield, 0 Emsley, 14587 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2603 residues out of total 12670 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 10 poor density : 2593 time to evaluate : 10.903 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 10 outliers final: 1 residues processed: 2597 average time/residue: 1.0375 time to fit residues: 4651.0061 Evaluate side-chains 1892 residues out of total 12670 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 1891 time to evaluate : 10.904 Switching outliers to nearest non-outliers outliers start: 1 outliers final: 0 residues processed: 1 average time/residue: 0.8037 time to fit residues: 15.8179 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1435 random chunks: chunk 1289 optimal weight: 8.9990 chunk 981 optimal weight: 2.9990 chunk 677 optimal weight: 6.9990 chunk 144 optimal weight: 6.9990 chunk 623 optimal weight: 6.9990 chunk 876 optimal weight: 8.9990 chunk 1310 optimal weight: 9.9990 chunk 1387 optimal weight: 6.9990 chunk 684 optimal weight: 0.3980 chunk 1241 optimal weight: 8.9990 chunk 373 optimal weight: 9.9990 overall best weight: 4.8788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: AA 29 GLN AD 76 GLN ** AD 162 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AG 139 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AG 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 29 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AH 111 GLN ** AH 182 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AI 182 ASN A 87 GLN ** A 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 169 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 75 HIS ** D 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 209 GLN E 219 ASN E 224 ASN ** H 120 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 120 ASN K 97 GLN ** K 169 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 123 ASN ** O 169 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 169 GLN ** Q 169 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 309 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 224 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 302 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 328 GLN W 242 GLN ** Z 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AL 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 224 ASN c 356 GLN d 310 GLN d 385 HIS ** e 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 209 GLN ** f 263 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 319 HIS ** g 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 224 ASN ** h 310 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 319 HIS i 356 GLN j 229 ASN j 310 GLN k 229 ASN k 310 GLN ** k 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 199 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 310 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 229 ASN ** m 385 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** n 224 ASN n 318 ASN ** n 341 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 29 GLN ** o 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 111 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 162 HIS ** q 40 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 147 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** u 40 GLN v 40 GLN ** v 139 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 194 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 129 HIS ** x 29 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 29 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AJ 173 ASN ** AK 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 39 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 119 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 10 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 5 104 ASN 5 127 ASN ** 5 175 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 9 ASN ** 7 77 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 37 GLN 9 37 GLN 9 41 GLN ** AO 53 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AQ 35 GLN ** AQ 49 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 71 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AR 49 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AS 61 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AT 24 GLN ** AW 55 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AX 26 GLN ** AY 61 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** BC 55 ASN ** BD 59 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 47 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8400 moved from start: 0.3504 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.006 0.103 120699 Z= 0.380 Angle : 0.702 9.739 163459 Z= 0.363 Chirality : 0.046 0.244 17892 Planarity : 0.005 0.067 21209 Dihedral : 5.013 70.088 16355 Min Nonbonded Distance : 2.031 Molprobity Statistics. All-atom Clashscore : 10.62 Ramachandran Plot: Outliers : 0.02 % Allowed : 4.43 % Favored : 95.55 % Rotamer Outliers : 0.03 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.08 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.01 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.64 (0.07), residues: 14587 helix: -0.63 (0.06), residues: 6205 sheet: -0.49 (0.10), residues: 2744 loop : -1.80 (0.07), residues: 5638 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29174 Ramachandran restraints generated. 14587 Oldfield, 0 Emsley, 14587 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29174 Ramachandran restraints generated. 14587 Oldfield, 0 Emsley, 14587 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2239 residues out of total 12670 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 3 poor density : 2236 time to evaluate : 11.122 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 3 outliers final: 0 residues processed: 2239 average time/residue: 1.0753 time to fit residues: 4167.7202 Evaluate side-chains 1745 residues out of total 12670 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 1745 time to evaluate : 10.875 Switching outliers to nearest non-outliers outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 14.2855 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1435 random chunks: chunk 1155 optimal weight: 0.9990 chunk 787 optimal weight: 0.7980 chunk 20 optimal weight: 6.9990 chunk 1032 optimal weight: 10.0000 chunk 572 optimal weight: 9.9990 chunk 1183 optimal weight: 9.9990 chunk 958 optimal weight: 0.9990 chunk 1 optimal weight: 0.9990 chunk 708 optimal weight: 2.9990 chunk 1245 optimal weight: 0.2980 chunk 350 optimal weight: 4.9990 overall best weight: 0.8186 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: AB 33 ASN AC 76 GLN ** AD 162 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AG 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 29 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AH 147 HIS AI 29 GLN ** A 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 169 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 75 HIS ** D 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 52 GLN K 75 HIS L 87 GLN ** O 169 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 169 GLN ** R 309 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 310 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 224 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 302 GLN ** W 263 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AL 162 HIS b 224 ASN b 341 GLN d 385 HIS ** e 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 224 ASN ** h 310 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 229 ASN k 229 ASN ** k 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 310 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 229 ASN n 224 ASN ** n 341 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 29 GLN v 29 GLN v 33 ASN w 129 HIS x 29 GLN ** AJ 29 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AJ 139 ASN AK 162 HIS ** AK 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 39 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 175 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 176 GLN 5 179 GLN 7 77 GLN 8 37 GLN 8 45 GLN 9 37 GLN ** AM 78 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AO 53 ASN AQ 35 GLN ** AQ 49 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 71 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AR 49 GLN AS 61 GLN AW 61 GLN AX 26 GLN BA 24 GLN ** BD 59 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** BE 77 GLN Total number of N/Q/H flips: 40 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8307 moved from start: 0.3681 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.002 0.098 120699 Z= 0.146 Angle : 0.559 10.673 163459 Z= 0.283 Chirality : 0.042 0.267 17892 Planarity : 0.003 0.059 21209 Dihedral : 4.599 71.083 16355 Min Nonbonded Distance : 2.126 Molprobity Statistics. All-atom Clashscore : 8.14 Ramachandran Plot: Outliers : 0.02 % Allowed : 3.17 % Favored : 96.81 % Rotamer Outliers : 0.03 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.08 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.01 % 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: -1.09 (0.07), residues: 14587 helix: -0.11 (0.07), residues: 6103 sheet: -0.22 (0.10), residues: 2824 loop : -1.56 (0.08), residues: 5660 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29174 Ramachandran restraints generated. 14587 Oldfield, 0 Emsley, 14587 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29174 Ramachandran restraints generated. 14587 Oldfield, 0 Emsley, 14587 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2441 residues out of total 12670 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 3 poor density : 2438 time to evaluate : 11.102 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 3 outliers final: 1 residues processed: 2439 average time/residue: 1.0435 time to fit residues: 4410.4954 Evaluate side-chains 1810 residues out of total 12670 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 1809 time to evaluate : 11.034 Switching outliers to nearest non-outliers outliers start: 1 outliers final: 0 residues processed: 1 average time/residue: 0.9548 time to fit residues: 16.4747 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1435 random chunks: chunk 466 optimal weight: 10.0000 chunk 1249 optimal weight: 2.9990 chunk 274 optimal weight: 0.9990 chunk 814 optimal weight: 0.1980 chunk 342 optimal weight: 10.0000 chunk 1388 optimal weight: 2.9990 chunk 1152 optimal weight: 3.9990 chunk 642 optimal weight: 5.9990 chunk 115 optimal weight: 5.9990 chunk 459 optimal weight: 4.9990 chunk 728 optimal weight: 2.9990 overall best weight: 2.0388 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: AB 33 ASN AC 40 GLN ** AC 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AD 162 HIS AF 173 ASN ** AG 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 29 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AI 115 GLN ** A 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 169 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 75 HIS ** D 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 169 GLN N 87 GLN ** O 169 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 309 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 224 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 263 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AL 111 GLN b 224 ASN d 356 GLN ** e 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 224 ASN ** h 310 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 229 ASN k 310 GLN ** k 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 310 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 229 ASN ** n 341 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 111 GLN ** o 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 40 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 147 HIS w 129 HIS y 115 GLN z 76 GLN ** AJ 29 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 83 ASN ** 3 39 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 119 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 10 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 175 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 77 GLN 8 37 GLN 8 43 GLN 9 37 GLN ** AM 78 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AP 53 ASN AQ 35 GLN ** AQ 49 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AQ 71 GLN AW 61 GLN ** AX 61 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AX 77 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AX 78 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 59 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 29 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8337 moved from start: 0.3886 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.051 120699 Z= 0.194 Angle : 0.570 11.207 163459 Z= 0.291 Chirality : 0.043 0.264 17892 Planarity : 0.003 0.062 21209 Dihedral : 4.522 71.768 16355 Min Nonbonded Distance : 2.050 Molprobity Statistics. All-atom Clashscore : 8.82 Ramachandran Plot: Outliers : 0.02 % Allowed : 3.91 % Favored : 96.07 % Rotamer Outliers : 0.04 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.08 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.01 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.82 (0.07), residues: 14587 helix: 0.14 (0.07), residues: 6178 sheet: -0.08 (0.10), residues: 2824 loop : -1.49 (0.08), residues: 5585 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29174 Ramachandran restraints generated. 14587 Oldfield, 0 Emsley, 14587 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29174 Ramachandran restraints generated. 14587 Oldfield, 0 Emsley, 14587 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2288 residues out of total 12670 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 4 poor density : 2284 time to evaluate : 10.848 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 outliers start: 4 outliers final: 1 residues processed: 2285 average time/residue: 1.0409 time to fit residues: 4108.8420 Evaluate side-chains 1765 residues out of total 12670 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 1764 time to evaluate : 10.813 Switching outliers to nearest non-outliers outliers start: 1 outliers final: 0 residues processed: 1 average time/residue: 0.9364 time to fit residues: 15.9417 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1435 random chunks: chunk 1338 optimal weight: 10.0000 chunk 156 optimal weight: 3.9990 chunk 791 optimal weight: 7.9990 chunk 1013 optimal weight: 0.0670 chunk 785 optimal weight: 6.9990 chunk 1168 optimal weight: 9.9990 chunk 775 optimal weight: 1.9990 chunk 1383 optimal weight: 0.9990 chunk 865 optimal weight: 0.0050 chunk 843 optimal weight: 8.9990 chunk 638 optimal weight: 6.9990 overall best weight: 1.4138 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: AB 33 ASN ** AC 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AD 162 HIS ** AG 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 29 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 169 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 75 HIS ** D 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 249 HIS ** E 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 52 GLN K 75 HIS ** O 169 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 87 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 309 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 310 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 224 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 229 ASN U 249 HIS ** W 263 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 224 ASN ** e 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 224 ASN ** h 310 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 226 ASN j 229 ASN ** k 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 310 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 229 ASN ** n 341 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 40 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 33 ASN w 129 HIS ** y 76 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 29 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 139 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AJ 163 GLN ** AK 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 39 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 53 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 175 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 77 GLN 8 37 GLN 9 37 GLN ** AM 78 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AQ 35 GLN ** AQ 71 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AS 26 GLN AU 78 ASN AW 55 ASN AW 61 GLN ** AX 61 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AX 77 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AX 78 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AZ 78 ASN ** BD 59 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 25 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8316 moved from start: 0.4028 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.062 120699 Z= 0.164 Angle : 0.563 9.916 163459 Z= 0.285 Chirality : 0.043 0.269 17892 Planarity : 0.003 0.064 21209 Dihedral : 4.422 72.437 16355 Min Nonbonded Distance : 2.122 Molprobity Statistics. All-atom Clashscore : 8.61 Ramachandran Plot: Outliers : 0.02 % Allowed : 3.42 % Favored : 96.56 % Rotamer Outliers : 0.02 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.08 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.01 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.58 (0.07), residues: 14587 helix: 0.36 (0.07), residues: 6171 sheet: 0.05 (0.10), residues: 2824 loop : -1.39 (0.08), residues: 5592 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29174 Ramachandran restraints generated. 14587 Oldfield, 0 Emsley, 14587 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29174 Ramachandran restraints generated. 14587 Oldfield, 0 Emsley, 14587 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2303 residues out of total 12670 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 2302 time to evaluate : 10.405 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 1 outliers final: 0 residues processed: 2302 average time/residue: 1.0334 time to fit residues: 4117.1343 Evaluate side-chains 1775 residues out of total 12670 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 1775 time to evaluate : 9.924 Switching outliers to nearest non-outliers outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 13.3508 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1435 random chunks: chunk 855 optimal weight: 0.9980 chunk 552 optimal weight: 7.9990 chunk 826 optimal weight: 5.9990 chunk 416 optimal weight: 8.9990 chunk 271 optimal weight: 5.9990 chunk 267 optimal weight: 2.9990 chunk 879 optimal weight: 6.9990 chunk 942 optimal weight: 10.0000 chunk 683 optimal weight: 3.9990 chunk 128 optimal weight: 8.9990 chunk 1087 optimal weight: 7.9990 overall best weight: 3.9988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: AB 33 ASN ** AC 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AD 111 GLN ** AD 162 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 29 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 147 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 182 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AI 118 GLN ** AI 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 182 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 169 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 75 HIS ** D 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 224 ASN ** F 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 123 ASN ** O 169 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 75 HIS ** Q 87 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 309 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 224 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 229 ASN U 249 HIS V 372 GLN ** W 263 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 224 ASN b 341 GLN ** e 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 224 ASN ** h 310 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 385 HIS ** i 309 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 229 ASN ** k 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 310 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 229 ASN n 224 ASN ** n 341 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 115 GLN ** o 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 40 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 173 ASN ** v 33 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 129 HIS ** y 87 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 29 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 39 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 119 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 76 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 175 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 77 GLN 9 37 GLN ** AM 78 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AO 53 ASN AP 49 GLN AQ 35 GLN ** AQ 49 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AQ 71 GLN AS 26 GLN AS 77 GLN ** AW 55 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AW 61 GLN AX 26 GLN ** AX 61 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AX 77 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AX 78 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AY 26 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AZ 78 ASN ** BD 59 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 31 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8388 moved from start: 0.4206 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 0.073 120699 Z= 0.307 Angle : 0.648 10.153 163459 Z= 0.332 Chirality : 0.045 0.282 17892 Planarity : 0.004 0.071 21209 Dihedral : 4.684 70.577 16355 Min Nonbonded Distance : 2.083 Molprobity Statistics. All-atom Clashscore : 10.44 Ramachandran Plot: Outliers : 0.02 % Allowed : 4.65 % Favored : 95.33 % Rotamer Outliers : 0.01 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.08 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.01 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.57 (0.07), residues: 14587 helix: 0.44 (0.07), residues: 6126 sheet: 0.01 (0.10), residues: 2824 loop : -1.45 (0.08), residues: 5637 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29174 Ramachandran restraints generated. 14587 Oldfield, 0 Emsley, 14587 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29174 Ramachandran restraints generated. 14587 Oldfield, 0 Emsley, 14587 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2122 residues out of total 12670 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 2122 time to evaluate : 10.866 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 0 outliers final: 0 residues processed: 2122 average time/residue: 1.0511 time to fit residues: 3865.8844 Evaluate side-chains 1697 residues out of total 12670 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 1697 time to evaluate : 13.264 Switching outliers to nearest non-outliers outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 14.4365 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1435 random chunks: chunk 1258 optimal weight: 3.9990 chunk 1325 optimal weight: 0.9980 chunk 1208 optimal weight: 1.9990 chunk 1288 optimal weight: 2.9990 chunk 1324 optimal weight: 6.9990 chunk 775 optimal weight: 6.9990 chunk 561 optimal weight: 0.0170 chunk 1012 optimal weight: 7.9990 chunk 395 optimal weight: 3.9990 chunk 1164 optimal weight: 5.9990 chunk 1219 optimal weight: 1.9990 overall best weight: 1.6024 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: AB 33 ASN ** AC 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AC 194 GLN AD 162 HIS AE 163 GLN ** AG 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 29 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 147 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 182 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AI 182 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 169 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 52 GLN ** F 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 123 ASN O 87 GLN ** O 169 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 109 ASN ** Q 87 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 309 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 310 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 224 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 229 ASN U 249 HIS ** W 263 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 224 ASN b 341 GLN ** e 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 310 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 309 GLN j 229 ASN ** k 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 310 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 229 ASN ** n 341 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 40 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 29 GLN v 33 ASN w 129 HIS ** y 87 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 40 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 29 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AK 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 49 ASN ** 3 39 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 119 GLN ** 5 76 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 175 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 77 GLN 9 37 GLN ** AM 78 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AP 49 GLN AQ 35 GLN AS 26 GLN ** AU 78 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AW 55 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AW 61 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AX 61 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AX 77 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AY 26 GLN AZ 78 ASN BA 77 GLN ** BD 59 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 28 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8343 moved from start: 0.4285 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.064 120699 Z= 0.174 Angle : 0.584 10.071 163459 Z= 0.295 Chirality : 0.043 0.296 17892 Planarity : 0.003 0.071 21209 Dihedral : 4.525 71.036 16355 Min Nonbonded Distance : 2.109 Molprobity Statistics. All-atom Clashscore : 9.46 Ramachandran Plot: Outliers : 0.02 % Allowed : 3.44 % Favored : 96.54 % Rotamer Outliers : 0.02 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.08 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.01 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.37 (0.07), residues: 14587 helix: 0.60 (0.07), residues: 6132 sheet: 0.13 (0.10), residues: 2824 loop : -1.35 (0.08), residues: 5631 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29174 Ramachandran restraints generated. 14587 Oldfield, 0 Emsley, 14587 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29174 Ramachandran restraints generated. 14587 Oldfield, 0 Emsley, 14587 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2209 residues out of total 12670 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2 poor density : 2207 time to evaluate : 10.764 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 outliers start: 2 outliers final: 0 residues processed: 2208 average time/residue: 1.0280 time to fit residues: 3930.2136 Evaluate side-chains 1736 residues out of total 12670 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 1736 time to evaluate : 10.843 Switching outliers to nearest non-outliers outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 14.1257 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1435 random chunks: chunk 1284 optimal weight: 7.9990 chunk 846 optimal weight: 2.9990 chunk 1362 optimal weight: 20.0000 chunk 831 optimal weight: 2.9990 chunk 646 optimal weight: 3.9990 chunk 947 optimal weight: 3.9990 chunk 1429 optimal weight: 20.0000 chunk 1315 optimal weight: 10.0000 chunk 1138 optimal weight: 0.5980 chunk 118 optimal weight: 0.9990 chunk 879 optimal weight: 1.9990 overall best weight: 1.9188 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: AB 33 ASN ** AC 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AD 162 HIS ** AG 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 29 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 147 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 182 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AI 118 GLN ** A 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 169 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 224 ASN ** E 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 52 GLN ** F 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 123 ASN ** O 169 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 309 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 310 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 224 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 229 ASN U 249 HIS V 229 ASN ** W 263 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 224 ASN ** e 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 310 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 229 ASN ** k 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 310 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 229 ASN ** n 341 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 47 ASN ** q 40 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 162 HIS ** y 87 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 40 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 29 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AJ 139 ASN ** AK 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 39 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 119 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 76 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 175 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 77 GLN 9 37 GLN ** AM 78 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AP 49 GLN AQ 35 GLN ** AQ 49 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AR 18 ASN AS 26 GLN AT 48 GLN ** AU 78 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AW 55 ASN AX 26 GLN ** AX 61 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AX 77 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AY 26 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AZ 78 ASN BA 61 GLN ** BD 59 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 26 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8346 moved from start: 0.4392 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.072 120699 Z= 0.189 Angle : 0.587 10.033 163459 Z= 0.297 Chirality : 0.043 0.302 17892 Planarity : 0.004 0.076 21209 Dihedral : 4.478 71.328 16355 Min Nonbonded Distance : 2.083 Molprobity Statistics. All-atom Clashscore : 9.46 Ramachandran Plot: Outliers : 0.02 % Allowed : 4.12 % Favored : 95.86 % Rotamer Outliers : 0.03 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.08 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.23 (0.07), residues: 14587 helix: 0.75 (0.07), residues: 6054 sheet: 0.20 (0.10), residues: 2824 loop : -1.27 (0.08), residues: 5709 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 29174 Ramachandran restraints generated. 14587 Oldfield, 0 Emsley, 14587 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 29174 Ramachandran restraints generated. 14587 Oldfield, 0 Emsley, 14587 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2178 residues out of total 12670 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 3 poor density : 2175 time to evaluate : 11.054 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 outliers start: 3 outliers final: 0 residues processed: 2177 average time/residue: 1.0425 time to fit residues: 3938.0925 Evaluate side-chains 1738 residues out of total 12670 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 1738 time to evaluate : 10.882 Switching outliers to nearest non-outliers outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 14.3287 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1435 random chunks: chunk 698 optimal weight: 2.9990 chunk 904 optimal weight: 7.9990 chunk 1212 optimal weight: 1.9990 chunk 348 optimal weight: 0.0980 chunk 1049 optimal weight: 1.9990 chunk 168 optimal weight: 1.9990 chunk 316 optimal weight: 4.9990 chunk 1140 optimal weight: 3.9990 chunk 477 optimal weight: 7.9990 chunk 1170 optimal weight: 5.9990 chunk 144 optimal weight: 10.0000 overall best weight: 1.8188 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: AB 33 ASN ** AC 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AD 162 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AG 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 29 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 147 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** AH 182 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 169 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 224 ASN ** E 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 52 GLN ** F 97 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 123 ASN ** O 169 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 309 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 310 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 224 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 229 ASN U 249 HIS ** W 263 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 229 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 224 ASN c 209 GLN ** e 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 310 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 229 ASN ** k 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 310 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 318 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 229 ASN ** n 341 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 47 ASN ** q 40 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 147 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 87 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 40 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 162 HIS ** AJ 29 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AJ 31 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AJ 139 ASN ** AK 173 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 39 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 119 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 10 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 76 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 175 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 210 ASN 7 77 GLN 8 43 GLN 9 37 GLN ** 9 43 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AM 78 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** AQ 49 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AS 26 GLN ** AU 78 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** AW 55 ASN AW 61 GLN ** AW 77 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** AX 26 GLN AX 61 GLN AX 78 ASN ** AY 26 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** BD 59 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 23 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3167 r_free = 0.3167 target = 0.079865 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 52)----------------| | r_work = 0.2865 r_free = 0.2865 target = 0.065118 restraints weight = 485731.760| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 33)----------------| | r_work = 0.2913 r_free = 0.2913 target = 0.067303 restraints weight = 248713.706| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 44)----------------| | r_work = 0.2945 r_free = 0.2945 target = 0.068789 restraints weight = 156282.781| |-----------------------------------------------------------------------------| r_work (final): 0.2940 ------------------------------------------------------------------------------- Occupancy refinement ******************** r_start: 0.2941 |-occupancy refinement: start-------------------------------------------------| | r_work = 0.2941 r_free = 0.2941 target_work(ls_wunit_k1) = 0.068 | | occupancies: max = 1.00 min = 0.40 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| |-occupancy refinement: end---------------------------------------------------| | r_work = 0.2941 r_free = 0.2941 target_work(ls_wunit_k1) = 0.068 | | occupancies: max = 1.00 min = 0.44 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| r_final: 0.2941 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8409 moved from start: 0.4462 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.047 120699 Z= 0.181 Angle : 0.584 10.219 163459 Z= 0.295 Chirality : 0.043 0.304 17892 Planarity : 0.003 0.071 21209 Dihedral : 4.427 71.648 16355 Min Nonbonded Distance : 2.101 Molprobity Statistics. All-atom Clashscore : 9.20 Ramachandran Plot: Outliers : 0.02 % Allowed : 3.66 % Favored : 96.32 % Rotamer Outliers : 0.01 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 4.08 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.13 (0.07), residues: 14587 helix: 0.85 (0.07), residues: 6058 sheet: 0.26 (0.10), residues: 2824 loop : -1.25 (0.08), residues: 5705 =============================================================================== Job complete usr+sys time: 52012.89 seconds wall clock time: 895 minutes 19.19 seconds (53719.19 seconds total)